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23
CLAUDE.md
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23
CLAUDE.md
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@@ -0,0 +1,23 @@
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# reactor — Claude Code context
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||||||
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Biological reactor with ASM kinetics.
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Part of the [EVOLV](https://gitea.wbd-rd.nl/RnD/EVOLV) wastewater-automation platform.
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||||||
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## S88 classification
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| Level | Colour | Placement lane |
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|---|---|---|
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| **Unit** | `#50a8d9` | L4 |
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||||||
|
## Flow layout rules
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When wiring this node into a multi-node demo or production flow, follow the
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placement rule set in the **EVOLV superproject**:
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> `.claude/rules/node-red-flow-layout.md` (in the EVOLV repo root)
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Key points for this node:
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- Place on lane **L4** (x-position per the lane table in the rule).
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- Stack same-level siblings vertically.
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- Parent/children sit on adjacent lanes (children one lane left, parent one lane right).
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- Wrap in a Node-RED group box coloured `#50a8d9` (Unit).
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@@ -1,40 +1,40 @@
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module.exports = function(RED) {
|
module.exports = function(RED) {
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||||||
function recirculation(config) {
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function recirculation(config) {
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RED.nodes.createNode(this, config);
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RED.nodes.createNode(this, config);
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||||||
var node = this;
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var node = this;
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let name = config.name;
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let F2 = parseFloat(config.F2);
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let F2 = parseFloat(config.F2);
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const inlet_F2 = parseInt(config.inlet);
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const inlet_F2 = parseInt(config.inlet);
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node.on('input', function(msg, send, done) {
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node.on('input', function(msg, send, done) {
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switch (msg.topic) {
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switch (msg.topic) {
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case "Fluent": {
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case "Fluent":
|
// conserve volume flow debit
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// conserve volume flow debit
|
let F_in = msg.payload.F;
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let F_in = msg.payload.F;
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let F1 = Math.max(F_in - F2, 0);
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let F1 = Math.max(F_in - F2, 0);
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let F2_corr = F_in < F2 ? F_in : F2;
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let F2_corr = F_in < F2 ? F_in : F2;
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let msg_F1 = structuredClone(msg);
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let msg_F1 = structuredClone(msg);
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msg_F1.payload.F = F1;
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msg_F1.payload.F = F1;
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let msg_F2 = {...msg};
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let msg_F2 = {...msg};
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msg_F2.payload.F = F2_corr;
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msg_F2.payload.F = F2_corr;
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msg_F2.payload.inlet = inlet_F2;
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msg_F2.payload.inlet = inlet_F2;
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send([msg_F1, msg_F2]);
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send([msg_F1, msg_F2]);
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break;
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break;
|
}
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case "clock":
|
case "clock":
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break;
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break;
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default:
|
default:
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console.log("Unknown topic: " + msg.topic);
|
console.log("Unknown topic: " + msg.topic);
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||||||
}
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}
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||||||
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||||||
if (done) {
|
if (done) {
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done();
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done();
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}
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}
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||||||
});
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});
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||||||
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||||||
}
|
}
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RED.nodes.registerType("recirculation-pump", recirculation);
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RED.nodes.registerType("recirculation-pump", recirculation);
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};
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};
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@@ -1,57 +1,57 @@
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module.exports = function(RED) {
|
module.exports = function(RED) {
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function settler(config) {
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function settler(config) {
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RED.nodes.createNode(this, config);
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RED.nodes.createNode(this, config);
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var node = this;
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var node = this;
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let name = config.name;
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let TS_set = parseFloat(config.TS_set);
|
||||||
let TS_set = parseFloat(config.TS_set);
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const inlet_sludge = parseInt(config.inlet);
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const inlet_sludge = parseInt(config.inlet);
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|
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|
node.on('input', function(msg, send, done) {
|
||||||
node.on('input', function(msg, send, done) {
|
switch (msg.topic) {
|
||||||
switch (msg.topic) {
|
case "Fluent": {
|
||||||
case "Fluent":
|
// conserve volume flow debit
|
||||||
// conserve volume flow debit
|
let F_in = msg.payload.F;
|
||||||
let F_in = msg.payload.F;
|
let C_in = msg.payload.C;
|
||||||
let C_in = msg.payload.C;
|
let F2 = (F_in * C_in[12]) / TS_set;
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let F2 = (F_in * C_in[12]) / TS_set;
|
|
||||||
|
let F1 = Math.max(F_in - F2, 0);
|
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let F1 = Math.max(F_in - F2, 0);
|
let F2_corr = F_in < F2 ? F_in : F2;
|
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let F2_corr = F_in < F2 ? F_in : F2;
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|
||||||
|
let msg_F1 = structuredClone(msg);
|
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let msg_F1 = structuredClone(msg);
|
msg_F1.payload.F = F1;
|
||||||
msg_F1.payload.F = F1;
|
msg_F1.payload.C[7] = 0;
|
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msg_F1.payload.C[7] = 0;
|
msg_F1.payload.C[8] = 0;
|
||||||
msg_F1.payload.C[8] = 0;
|
msg_F1.payload.C[9] = 0;
|
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msg_F1.payload.C[9] = 0;
|
msg_F1.payload.C[10] = 0;
|
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msg_F1.payload.C[10] = 0;
|
msg_F1.payload.C[11] = 0;
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msg_F1.payload.C[11] = 0;
|
msg_F1.payload.C[12] = 0;
|
||||||
msg_F1.payload.C[12] = 0;
|
|
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|
let msg_F2 = {...msg};
|
||||||
let msg_F2 = {...msg};
|
msg_F2.payload.F = F2_corr;
|
||||||
msg_F2.payload.F = F2_corr;
|
if (F2_corr > 0) {
|
||||||
if (F2_corr > 0) {
|
msg_F2.payload.C[7] = F_in * C_in[7] / F2;
|
||||||
msg_F2.payload.C[7] = F_in * C_in[7] / F2;
|
msg_F2.payload.C[8] = F_in * C_in[8] / F2;
|
||||||
msg_F2.payload.C[8] = F_in * C_in[8] / F2;
|
msg_F2.payload.C[9] = F_in * C_in[9] / F2;
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||||||
msg_F2.payload.C[9] = F_in * C_in[9] / F2;
|
msg_F2.payload.C[10] = F_in * C_in[10] / F2;
|
||||||
msg_F2.payload.C[10] = F_in * C_in[10] / F2;
|
msg_F2.payload.C[11] = F_in * C_in[11] / F2;
|
||||||
msg_F2.payload.C[11] = F_in * C_in[11] / F2;
|
msg_F2.payload.C[12] = F_in * C_in[12] / F2;
|
||||||
msg_F2.payload.C[12] = F_in * C_in[12] / F2;
|
}
|
||||||
}
|
msg_F2.payload.inlet = inlet_sludge;
|
||||||
msg_F2.payload.inlet = inlet_sludge;
|
|
||||||
|
send([msg_F1, msg_F2]);
|
||||||
send([msg_F1, msg_F2]);
|
break;
|
||||||
break;
|
}
|
||||||
case "clock":
|
case "clock":
|
||||||
break;
|
break;
|
||||||
default:
|
default:
|
||||||
console.log("Unknown topic: " + msg.topic);
|
console.log("Unknown topic: " + msg.topic);
|
||||||
}
|
}
|
||||||
|
|
||||||
if (done) {
|
if (done) {
|
||||||
done();
|
done();
|
||||||
}
|
}
|
||||||
});
|
});
|
||||||
|
|
||||||
}
|
}
|
||||||
RED.nodes.registerType("settling-basin", settler);
|
RED.nodes.registerType("settling-basin", settler);
|
||||||
};
|
};
|
||||||
|
|||||||
553
reactor.html
553
reactor.html
@@ -1,267 +1,286 @@
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|||||||
<!--
|
<!--
|
||||||
| S88-niveau | Primair (blokkleur) | Tekstkleur |
|
| S88-niveau | Primair (blokkleur) | Tekstkleur |
|
||||||
| ---------------------- | ------------------- | ---------- |
|
| ---------------------- | ------------------- | ---------- |
|
||||||
| **Area** | `#0f52a5` | wit |
|
| **Area** | `#0f52a5` | wit |
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||||||
| **Process Cell** | `#0c99d9` | wit |
|
| **Process Cell** | `#0c99d9` | wit |
|
||||||
| **Unit** | `#50a8d9` | zwart |
|
| **Unit** | `#50a8d9` | zwart |
|
||||||
| **Equipment (Module)** | `#86bbdd` | zwart |
|
| **Equipment (Module)** | `#86bbdd` | zwart |
|
||||||
| **Control Module** | `#a9daee` | zwart |
|
| **Control Module** | `#a9daee` | zwart |
|
||||||
|
|
||||||
-->
|
-->
|
||||||
<script src="/reactor/menu.js"></script>
|
<script src="/reactor/menu.js"></script>
|
||||||
|
|
||||||
<script type="text/javascript">
|
<script type="text/javascript">
|
||||||
RED.nodes.registerType("reactor", {
|
RED.nodes.registerType("reactor", {
|
||||||
category: "EVOLV",
|
category: "EVOLV",
|
||||||
color: "#50a8d9",
|
color: "#50a8d9",
|
||||||
defaults: {
|
defaults: {
|
||||||
name: { value: "" },
|
name: { value: "" },
|
||||||
reactor_type: { value: "CSTR", required: true },
|
reactor_type: { value: "CSTR", required: true },
|
||||||
volume: { value: 0., required: true },
|
volume: { value: 0., required: true },
|
||||||
length: { value: 0.},
|
length: { value: 0.},
|
||||||
resolution_L: { value: 0.},
|
resolution_L: { value: 0.},
|
||||||
alpha: {value: 0},
|
alpha: {value: 0},
|
||||||
n_inlets: { value: 1, required: true},
|
n_inlets: { value: 1, required: true},
|
||||||
kla: { value: null },
|
kla: { value: null },
|
||||||
|
|
||||||
S_O_init: { value: 0., required: true },
|
S_O_init: { value: 0., required: true },
|
||||||
S_I_init: { value: 30., required: true },
|
S_I_init: { value: 30., required: true },
|
||||||
S_S_init: { value: 100., required: true },
|
S_S_init: { value: 100., required: true },
|
||||||
S_NH_init: { value: 16., required: true },
|
S_NH_init: { value: 16., required: true },
|
||||||
S_N2_init: { value: 0., required: true },
|
S_N2_init: { value: 0., required: true },
|
||||||
S_NO_init: { value: 0., required: true },
|
S_NO_init: { value: 0., required: true },
|
||||||
S_HCO_init: { value: 5., required: true },
|
S_HCO_init: { value: 5., required: true },
|
||||||
X_I_init: { value: 25., required: true },
|
X_I_init: { value: 25., required: true },
|
||||||
X_S_init: { value: 75., required: true },
|
X_S_init: { value: 75., required: true },
|
||||||
X_H_init: { value: 30., required: true },
|
X_H_init: { value: 30., required: true },
|
||||||
X_STO_init: { value: 0., required: true },
|
X_STO_init: { value: 0., required: true },
|
||||||
X_A_init: { value: 0.001, required: true },
|
X_A_init: { value: 0.001, required: true },
|
||||||
X_TS_init: { value: 125.0009, required: true },
|
X_TS_init: { value: 125.0009, required: true },
|
||||||
|
|
||||||
timeStep: { value: 1, required: true },
|
timeStep: { value: 1, required: true },
|
||||||
speedUpFactor: { value: 1 },
|
speedUpFactor: { value: 1 },
|
||||||
|
processOutputFormat: { value: "process" },
|
||||||
enableLog: { value: false },
|
dbaseOutputFormat: { value: "influxdb" },
|
||||||
logLevel: { value: "error" },
|
|
||||||
|
enableLog: { value: false },
|
||||||
positionVsParent: { value: "" },
|
logLevel: { value: "error" },
|
||||||
},
|
|
||||||
inputs: 1,
|
positionVsParent: { value: "" },
|
||||||
outputs: 3,
|
},
|
||||||
inputLabels: ["input"],
|
inputs: 1,
|
||||||
outputLabels: ["process", "dbase", "parent"],
|
outputs: 3,
|
||||||
icon: "font-awesome/fa-flask",
|
inputLabels: ["input"],
|
||||||
label: function() {
|
outputLabels: ["process", "dbase", "parent"],
|
||||||
return this.name || "Reactor";
|
icon: "font-awesome/fa-flask",
|
||||||
},
|
label: function() {
|
||||||
oneditprepare: function() {
|
return this.name || "Reactor";
|
||||||
// wait for the menu scripts to load
|
},
|
||||||
const waitForMenuData = () => {
|
oneditprepare: function() {
|
||||||
if (window.EVOLV?.nodes?.reactor?.initEditor) {
|
// wait for the menu scripts to load
|
||||||
window.EVOLV.nodes.reactor.initEditor(this);
|
const waitForMenuData = () => {
|
||||||
} else {
|
if (window.EVOLV?.nodes?.reactor?.initEditor) {
|
||||||
setTimeout(waitForMenuData, 50);
|
window.EVOLV.nodes.reactor.initEditor(this);
|
||||||
}
|
} else {
|
||||||
};
|
setTimeout(waitForMenuData, 50);
|
||||||
waitForMenuData();
|
}
|
||||||
|
};
|
||||||
$("#node-input-volume").typedInput({
|
waitForMenuData();
|
||||||
type:"num",
|
|
||||||
types:["num"]
|
$("#node-input-volume").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$("#node-input-n_inlets").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$("#node-input-n_inlets").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$("#node-input-length").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$("#node-input-length").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$("#node-input-resolution_L").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$("#node-input-resolution_L").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$("#node-input-kla").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$("#node-input-kla").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$(".concentrations").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$(".concentrations").typedInput({
|
||||||
});
|
type:"num",
|
||||||
$("#node-input-reactor_type").typedInput({
|
types:["num"]
|
||||||
types: [
|
});
|
||||||
{
|
$("#node-input-reactor_type").typedInput({
|
||||||
value: "CSTR",
|
types: [
|
||||||
options: [
|
{
|
||||||
{ value: "CSTR", label: "CSTR"},
|
value: "CSTR",
|
||||||
{ value: "PFR", label: "PFR"}
|
options: [
|
||||||
]
|
{ value: "CSTR", label: "CSTR"},
|
||||||
}
|
{ value: "PFR", label: "PFR"}
|
||||||
]
|
]
|
||||||
})
|
}
|
||||||
$("#node-input-reactor_type").on("change", function() {
|
]
|
||||||
const type = $("#node-input-reactor_type").typedInput("value");
|
})
|
||||||
if (type === "CSTR") {
|
$("#node-input-reactor_type").on("change", function() {
|
||||||
$(".PFR").hide();
|
const type = $("#node-input-reactor_type").typedInput("value");
|
||||||
} else {
|
if (type === "CSTR") {
|
||||||
$(".PFR").show();
|
$(".PFR").hide();
|
||||||
}
|
} else {
|
||||||
});
|
$(".PFR").show();
|
||||||
$("#node-input-alpha").typedInput({
|
}
|
||||||
type:"num",
|
});
|
||||||
types:["num"]
|
$("#node-input-alpha").typedInput({
|
||||||
})
|
type:"num",
|
||||||
$("#node-input-timeStep").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
})
|
||||||
types:["num"]
|
$("#node-input-timeStep").typedInput({
|
||||||
})
|
type:"num",
|
||||||
$("#node-input-speedUpFactor").typedInput({
|
types:["num"]
|
||||||
type:"num",
|
})
|
||||||
types:["num"]
|
$("#node-input-speedUpFactor").typedInput({
|
||||||
})
|
type:"num",
|
||||||
// Set initial visibility on dialog open
|
types:["num"]
|
||||||
const initialType = $("#node-input-reactor_type").typedInput("value");
|
})
|
||||||
if (initialType === "CSTR") {
|
// Set initial visibility on dialog open
|
||||||
$(".PFR").hide();
|
const initialType = $("#node-input-reactor_type").typedInput("value");
|
||||||
} else {
|
if (initialType === "CSTR") {
|
||||||
$(".PFR").show();
|
$(".PFR").hide();
|
||||||
}
|
} else {
|
||||||
},
|
$(".PFR").show();
|
||||||
oneditsave: function() {
|
}
|
||||||
// save logger fields
|
},
|
||||||
if (window.EVOLV?.nodes?.reactor?.loggerMenu?.saveEditor) {
|
oneditsave: function() {
|
||||||
window.EVOLV.nodes.reactor.loggerMenu.saveEditor(this);
|
// save logger fields
|
||||||
}
|
if (window.EVOLV?.nodes?.reactor?.loggerMenu?.saveEditor) {
|
||||||
|
window.EVOLV.nodes.reactor.loggerMenu.saveEditor(this);
|
||||||
// save position field
|
}
|
||||||
if (window.EVOLV?.nodes?.reactor?.positionMenu?.saveEditor) {
|
|
||||||
window.EVOLV.nodes.reactor.positionMenu.saveEditor(this);
|
// save position field
|
||||||
}
|
if (window.EVOLV?.nodes?.reactor?.positionMenu?.saveEditor) {
|
||||||
|
window.EVOLV.nodes.reactor.positionMenu.saveEditor(this);
|
||||||
let volume = parseFloat($("#node-input-volume").typedInput("value"));
|
}
|
||||||
if (isNaN(volume) || volume <= 0) {
|
|
||||||
RED.notify("Fluid volume not set correctly", {type: "error"});
|
let volume = parseFloat($("#node-input-volume").typedInput("value"));
|
||||||
}
|
if (isNaN(volume) || volume <= 0) {
|
||||||
let n_inlets = parseInt($("#node-input-n_inlets").typedInput("value"));
|
RED.notify("Fluid volume not set correctly", {type: "error"});
|
||||||
if (isNaN(n_inlets) || n_inlets < 1) {
|
}
|
||||||
RED.notify("Number of inlets not set correctly", {type: "error"});
|
let n_inlets = parseInt($("#node-input-n_inlets").typedInput("value"));
|
||||||
}
|
if (isNaN(n_inlets) || n_inlets < 1) {
|
||||||
}
|
RED.notify("Number of inlets not set correctly", {type: "error"});
|
||||||
});
|
}
|
||||||
</script>
|
}
|
||||||
|
});
|
||||||
<script type="text/html" data-template-name="reactor">
|
</script>
|
||||||
<div class="form-row">
|
|
||||||
<label for="node-input-name"><i class="fa fa-tag"></i> Name</label>
|
<script type="text/html" data-template-name="reactor">
|
||||||
<input type="text" id="node-input-name" placeholder="Name">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-name"><i class="fa fa-tag"></i> Name</label>
|
||||||
<h2> Reactor properties </h2>
|
<input type="text" id="node-input-name" placeholder="Name">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-reactor_type"><i class="fa fa-tag"></i> Reactor type</label>
|
<h2> Reactor properties </h2>
|
||||||
<input type="text" id="node-input-reactor_type">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-reactor_type"><i class="fa fa-tag"></i> Reactor type</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-reactor_type">
|
||||||
<label for="node-input-volume"><i class="fa fa-tag"></i> Fluid volume [m3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-volume" placeholder="m3">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-volume"><i class="fa fa-tag"></i> Fluid volume [m3]</label>
|
||||||
<div class="form-row PFR">
|
<input type="text" id="node-input-volume" placeholder="m3">
|
||||||
<label for="node-input-length"><i class="fa fa-tag"></i> Reactor length [m]</label>
|
</div>
|
||||||
<input type="text" id="node-input-length" placeholder="m">
|
<div class="form-row PFR">
|
||||||
</div>
|
<label for="node-input-length"><i class="fa fa-tag"></i> Reactor length [m]</label>
|
||||||
<div class="form-row PFR">
|
<input type="text" id="node-input-length" placeholder="m">
|
||||||
<label for="node-input-resolution_L"><i class="fa fa-tag"></i> Resolution</label>
|
</div>
|
||||||
<input type="text" id="node-input-resolution_L" placeholder="#">
|
<div class="form-row PFR">
|
||||||
</div>
|
<label for="node-input-resolution_L"><i class="fa fa-tag"></i> Resolution</label>
|
||||||
<div class="PFR">
|
<input type="text" id="node-input-resolution_L" placeholder="#">
|
||||||
<p> Inlet boundary condition parameter α (α = 0: Danckwerts BC / α = 1: Dirichlet BC) </p>
|
</div>
|
||||||
<div class="form-row">
|
<div class="PFR">
|
||||||
<label for="node-input-alpha"><i class="fa fa-tag"></i>Adjustable parameter BC</label>
|
<p> Inlet boundary condition parameter α (α = 0: Danckwerts BC / α = 1: Dirichlet BC) </p>
|
||||||
<input type="text" id="node-input-alpha">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-alpha"><i class="fa fa-tag"></i>Adjustable parameter BC</label>
|
||||||
</div>
|
<input type="text" id="node-input-alpha">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-n_inlets"><i class="fa fa-tag"></i> Number of inlets</label>
|
</div>
|
||||||
<input type="text" id="node-input-n_inlets" placeholder="#">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-n_inlets"><i class="fa fa-tag"></i> Number of inlets</label>
|
||||||
<h3> Internal mass transfer calculation (optional) </h3>
|
<input type="text" id="node-input-n_inlets" placeholder="#">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-kla"><i class="fa fa-tag"></i> kLa [d-1]</label>
|
<h3> Internal mass transfer calculation (optional) </h3>
|
||||||
<input type="text" id="node-input-kla" placeholder="d-1">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-kla"><i class="fa fa-tag"></i> kLa [d-1]</label>
|
||||||
<h2> Dissolved components </h2>
|
<input type="text" id="node-input-kla" placeholder="d-1">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-S_O_init"><i class="fa fa-tag"></i> Initial dissolved oxygen [g O2 m-3]</label>
|
<h2> Dissolved components </h2>
|
||||||
<input type="text" id="node-input-S_O_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_O_init"><i class="fa fa-tag"></i> Initial dissolved oxygen [g O2 m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_O_init" class="concentrations">
|
||||||
<label for="node-input-S_I_init"><i class="fa fa-tag"></i> Initial soluble inert organics [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_I_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_I_init"><i class="fa fa-tag"></i> Initial soluble inert organics [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_I_init" class="concentrations">
|
||||||
<label for="node-input-S_S_init"><i class="fa fa-tag"></i> Initial readily biodegrable substrates [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_S_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_S_init"><i class="fa fa-tag"></i> Initial readily biodegrable substrates [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_S_init" class="concentrations">
|
||||||
<label for="node-input-S_NH_init"><i class="fa fa-tag"></i> Initial ammonium / ammonia [g N m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_NH_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_NH_init"><i class="fa fa-tag"></i> Initial ammonium / ammonia [g N m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_NH_init" class="concentrations">
|
||||||
<label for="node-input-S_N2_init"><i class="fa fa-tag"></i> Initial dinitrogen, released by denitrification [g N m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_N2_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_N2_init"><i class="fa fa-tag"></i> Initial dinitrogen, released by denitrification [g N m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_N2_init" class="concentrations">
|
||||||
<label for="node-input-S_NO_init"><i class="fa fa-tag"></i> Initial nitrite + nitrate [g N m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_NO_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_NO_init"><i class="fa fa-tag"></i> Initial nitrite + nitrate [g N m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-S_NO_init" class="concentrations">
|
||||||
<label for="node-input-S_HCO_init"><i class="fa fa-tag"></i> Initial alkalinity, bicarbonate [mole HCO3- m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-S_HCO_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-S_HCO_init"><i class="fa fa-tag"></i> Initial alkalinity, bicarbonate [mole HCO3- m-3]</label>
|
||||||
<h2> Particulate components </h2>
|
<input type="text" id="node-input-S_HCO_init" class="concentrations">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-X_I_init"><i class="fa fa-tag"></i> Initial inert particulate organics [g COD m-3]</label>
|
<h2> Particulate components </h2>
|
||||||
<input type="text" id="node-input-X_I_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_I_init"><i class="fa fa-tag"></i> Initial inert particulate organics [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-X_I_init" class="concentrations">
|
||||||
<label for="node-input-X_S_init"><i class="fa fa-tag"></i> Initial slowly biodegrable substrates [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-X_S_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_S_init"><i class="fa fa-tag"></i> Initial slowly biodegrable substrates [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-X_S_init" class="concentrations">
|
||||||
<label for="node-input-X_H_init"><i class="fa fa-tag"></i> Initial heterotrophic biomass [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-X_H_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_H_init"><i class="fa fa-tag"></i> Initial heterotrophic biomass [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-X_H_init" class="concentrations">
|
||||||
<label for="node-input-X_STO_init"><i class="fa fa-tag"></i> Initial Organics stored by heterotrophs [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-X_STO_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_STO_init"><i class="fa fa-tag"></i> Initial Organics stored by heterotrophs [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-X_STO_init" class="concentrations">
|
||||||
<label for="node-input-X_A_init"><i class="fa fa-tag"></i> Initial autotrophic, nitrifying biomass [g COD m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-X_A_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_A_init"><i class="fa fa-tag"></i> Initial autotrophic, nitrifying biomass [g COD m-3]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-X_A_init" class="concentrations">
|
||||||
<label for="node-input-X_TS_init"><i class="fa fa-tag"></i> Initial total suspended solids [g TSS m-3]</label>
|
</div>
|
||||||
<input type="text" id="node-input-X_TS_init" class="concentrations">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-X_TS_init"><i class="fa fa-tag"></i> Initial total suspended solids [g TSS m-3]</label>
|
||||||
<h2> Simulation parameters </h2>
|
<input type="text" id="node-input-X_TS_init" class="concentrations">
|
||||||
<div class="form-row">
|
</div>
|
||||||
<label for="node-input-timeStep"><i class="fa fa-tag"></i> Time step [s]</label>
|
<h2> Simulation parameters </h2>
|
||||||
<input type="text" id="node-input-timeStep" placeholder="s">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-timeStep"><i class="fa fa-tag"></i> Time step [s]</label>
|
||||||
<div class="form-row">
|
<input type="text" id="node-input-timeStep" placeholder="s">
|
||||||
<label for="node-input-speedUpFactor"><i class="fa fa-tag"></i> Speed-up factor</label>
|
</div>
|
||||||
<input type="text" id="node-input-speedUpFactor" placeholder="1 = real-time">
|
<div class="form-row">
|
||||||
</div>
|
<label for="node-input-speedUpFactor"><i class="fa fa-tag"></i> Speed-up factor</label>
|
||||||
|
<input type="text" id="node-input-speedUpFactor" placeholder="1 = real-time">
|
||||||
<!-- Logger fields injected here -->
|
</div>
|
||||||
<div id="logger-fields-placeholder"></div>
|
<h3>Output Formats</h3>
|
||||||
|
<div class="form-row">
|
||||||
<!-- Position fields will be injected here -->
|
<label for="node-input-processOutputFormat"><i class="fa fa-random"></i> Process Output</label>
|
||||||
<div id="position-fields-placeholder"></div>
|
<select id="node-input-processOutputFormat" style="width:60%;">
|
||||||
|
<option value="process">process</option>
|
||||||
|
<option value="json">json</option>
|
||||||
</script>
|
<option value="csv">csv</option>
|
||||||
|
</select>
|
||||||
<script type="text/html" data-help-name="reactor">
|
</div>
|
||||||
<p>New reactor node</p>
|
<div class="form-row">
|
||||||
</script>
|
<label for="node-input-dbaseOutputFormat"><i class="fa fa-database"></i> Database Output</label>
|
||||||
|
<select id="node-input-dbaseOutputFormat" style="width:60%;">
|
||||||
|
<option value="influxdb">influxdb</option>
|
||||||
|
<option value="json">json</option>
|
||||||
|
<option value="csv">csv</option>
|
||||||
|
</select>
|
||||||
|
</div>
|
||||||
|
|
||||||
|
<!-- Logger fields injected here -->
|
||||||
|
<div id="logger-fields-placeholder"></div>
|
||||||
|
|
||||||
|
<!-- Position fields will be injected here -->
|
||||||
|
<div id="position-fields-placeholder"></div>
|
||||||
|
|
||||||
|
|
||||||
|
</script>
|
||||||
|
|
||||||
|
<script type="text/html" data-help-name="reactor">
|
||||||
|
<p>New reactor node</p>
|
||||||
|
</script>
|
||||||
|
|||||||
314
src/nodeClass.js
314
src/nodeClass.js
@@ -1,5 +1,5 @@
|
|||||||
const { Reactor_CSTR, Reactor_PFR } = require('./specificClass.js');
|
const { Reactor_CSTR, Reactor_PFR } = require('./specificClass.js');
|
||||||
const { outputUtils } = require('generalFunctions');
|
const { outputUtils, configManager } = require('generalFunctions');
|
||||||
|
|
||||||
const REACTOR_SPECIES = [
|
const REACTOR_SPECIES = [
|
||||||
'S_O',
|
'S_O',
|
||||||
@@ -16,23 +16,23 @@ const REACTOR_SPECIES = [
|
|||||||
'X_A',
|
'X_A',
|
||||||
'X_TS'
|
'X_TS'
|
||||||
];
|
];
|
||||||
|
|
||||||
|
|
||||||
class nodeClass {
|
class nodeClass {
|
||||||
/**
|
/**
|
||||||
* Node-RED node class for advanced-reactor.
|
* Node-RED node class for advanced-reactor.
|
||||||
* @param {object} uiConfig - Node-RED node configuration
|
* @param {object} uiConfig - Node-RED node configuration
|
||||||
* @param {object} RED - Node-RED runtime API
|
* @param {object} RED - Node-RED runtime API
|
||||||
* @param {object} nodeInstance - Node-RED node instance
|
* @param {object} nodeInstance - Node-RED node instance
|
||||||
* @param {string} nameOfNode - Name of the node
|
* @param {string} nameOfNode - Name of the node
|
||||||
*/
|
*/
|
||||||
constructor(uiConfig, RED, nodeInstance, nameOfNode) {
|
constructor(uiConfig, RED, nodeInstance, nameOfNode) {
|
||||||
// Preserve RED reference for HTTP endpoints if needed
|
// Preserve RED reference for HTTP endpoints if needed
|
||||||
this.node = nodeInstance;
|
this.node = nodeInstance;
|
||||||
this.RED = RED;
|
this.RED = RED;
|
||||||
this.name = nameOfNode;
|
this.name = nameOfNode;
|
||||||
this.source = null;
|
this.source = null;
|
||||||
|
|
||||||
this._loadConfig(uiConfig)
|
this._loadConfig(uiConfig)
|
||||||
this._setupClass();
|
this._setupClass();
|
||||||
this._output = new outputUtils();
|
this._output = new outputUtils();
|
||||||
@@ -40,143 +40,133 @@ class nodeClass {
|
|||||||
this._attachInputHandler();
|
this._attachInputHandler();
|
||||||
this._registerChild();
|
this._registerChild();
|
||||||
this._startTickLoop();
|
this._startTickLoop();
|
||||||
this._attachCloseHandler();
|
this._attachCloseHandler();
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Handle node-red input messages
|
* Handle node-red input messages
|
||||||
*/
|
*/
|
||||||
_attachInputHandler() {
|
_attachInputHandler() {
|
||||||
this.node.on('input', (msg, send, done) => {
|
this.node.on('input', (msg, send, done) => {
|
||||||
try {
|
try {
|
||||||
switch (msg.topic) {
|
switch (msg.topic) {
|
||||||
case "clock":
|
case "clock":
|
||||||
this.source.updateState(msg.timestamp);
|
this.source.updateState(msg.timestamp);
|
||||||
send([msg, null, null]);
|
send([msg, null, null]);
|
||||||
break;
|
break;
|
||||||
case "Fluent":
|
case "Fluent":
|
||||||
this.source.setInfluent = msg;
|
this.source.setInfluent = msg;
|
||||||
break;
|
break;
|
||||||
case "OTR":
|
case "OTR":
|
||||||
this.source.setOTR = msg;
|
this.source.setOTR = msg;
|
||||||
break;
|
break;
|
||||||
case "Temperature":
|
case "Temperature":
|
||||||
this.source.setTemperature = msg;
|
this.source.setTemperature = msg;
|
||||||
break;
|
break;
|
||||||
case "Dispersion":
|
case "Dispersion":
|
||||||
this.source.setDispersion = msg;
|
this.source.setDispersion = msg;
|
||||||
break;
|
break;
|
||||||
case 'registerChild': {
|
case 'registerChild': {
|
||||||
const childId = msg.payload;
|
const childId = msg.payload;
|
||||||
const childObj = this.RED.nodes.getNode(childId);
|
const childObj = this.RED.nodes.getNode(childId);
|
||||||
if (!childObj || !childObj.source) {
|
if (!childObj || !childObj.source) {
|
||||||
this.source?.logger?.warn(`registerChild skipped: missing child/source for id=${childId}`);
|
this.source?.logger?.warn(`registerChild skipped: missing child/source for id=${childId}`);
|
||||||
break;
|
break;
|
||||||
}
|
}
|
||||||
this.source.childRegistrationUtils.registerChild(childObj.source, msg.positionVsParent);
|
this.source.childRegistrationUtils.registerChild(childObj.source, msg.positionVsParent);
|
||||||
break;
|
break;
|
||||||
}
|
}
|
||||||
default:
|
default:
|
||||||
this.source?.logger?.warn(`Unknown topic: ${msg.topic}`);
|
this.source?.logger?.warn(`Unknown topic: ${msg.topic}`);
|
||||||
}
|
}
|
||||||
} catch (error) {
|
} catch (error) {
|
||||||
this.source?.logger?.error(`Input handler failure: ${error.message}`);
|
this.source?.logger?.error(`Input handler failure: ${error.message}`);
|
||||||
}
|
}
|
||||||
|
|
||||||
if (typeof done === 'function') {
|
if (typeof done === 'function') {
|
||||||
done();
|
done();
|
||||||
}
|
}
|
||||||
});
|
});
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Parse node configuration
|
* Parse node configuration using ConfigManager
|
||||||
* @param {object} uiConfig Config set in UI in node-red
|
* @param {object} uiConfig Config set in UI in node-red
|
||||||
*/
|
*/
|
||||||
_loadConfig(uiConfig) {
|
_loadConfig(uiConfig) {
|
||||||
this.config = {
|
const cfgMgr = new configManager();
|
||||||
general: {
|
|
||||||
name: uiConfig.name || this.name,
|
// Build config: base sections + reactor-specific domain config
|
||||||
id: this.node.id,
|
this.config = cfgMgr.buildConfig('reactor', uiConfig, this.node.id, {
|
||||||
unit: null,
|
reactor_type: uiConfig.reactor_type,
|
||||||
logging: {
|
volume: parseFloat(uiConfig.volume),
|
||||||
enabled: uiConfig.enableLog,
|
length: parseFloat(uiConfig.length),
|
||||||
logLevel: uiConfig.logLevel
|
resolution_L: parseInt(uiConfig.resolution_L),
|
||||||
}
|
alpha: parseFloat(uiConfig.alpha),
|
||||||
},
|
n_inlets: parseInt(uiConfig.n_inlets),
|
||||||
functionality: {
|
kla: parseFloat(uiConfig.kla),
|
||||||
positionVsParent: uiConfig.positionVsParent || 'atEquipment', // Default to 'atEquipment' if not specified
|
initialState: [
|
||||||
softwareType: "reactor" // should be set in config manager
|
parseFloat(uiConfig.S_O_init),
|
||||||
},
|
parseFloat(uiConfig.S_I_init),
|
||||||
reactor_type: uiConfig.reactor_type,
|
parseFloat(uiConfig.S_S_init),
|
||||||
volume: parseFloat(uiConfig.volume),
|
parseFloat(uiConfig.S_NH_init),
|
||||||
length: parseFloat(uiConfig.length),
|
parseFloat(uiConfig.S_N2_init),
|
||||||
resolution_L: parseInt(uiConfig.resolution_L),
|
parseFloat(uiConfig.S_NO_init),
|
||||||
alpha: parseFloat(uiConfig.alpha),
|
parseFloat(uiConfig.S_HCO_init),
|
||||||
n_inlets: parseInt(uiConfig.n_inlets),
|
parseFloat(uiConfig.X_I_init),
|
||||||
kla: parseFloat(uiConfig.kla),
|
parseFloat(uiConfig.X_S_init),
|
||||||
initialState: [
|
parseFloat(uiConfig.X_H_init),
|
||||||
parseFloat(uiConfig.S_O_init),
|
parseFloat(uiConfig.X_STO_init),
|
||||||
parseFloat(uiConfig.S_I_init),
|
parseFloat(uiConfig.X_A_init),
|
||||||
parseFloat(uiConfig.S_S_init),
|
parseFloat(uiConfig.X_TS_init)
|
||||||
parseFloat(uiConfig.S_NH_init),
|
],
|
||||||
parseFloat(uiConfig.S_N2_init),
|
timeStep: parseFloat(uiConfig.timeStep),
|
||||||
parseFloat(uiConfig.S_NO_init),
|
speedUpFactor: Number(uiConfig.speedUpFactor) || 1
|
||||||
parseFloat(uiConfig.S_HCO_init),
|
});
|
||||||
parseFloat(uiConfig.X_I_init),
|
}
|
||||||
parseFloat(uiConfig.X_S_init),
|
|
||||||
parseFloat(uiConfig.X_H_init),
|
/**
|
||||||
parseFloat(uiConfig.X_STO_init),
|
* Register this node as a child upstream and downstream.
|
||||||
parseFloat(uiConfig.X_A_init),
|
* Delayed to avoid Node-RED startup race conditions.
|
||||||
parseFloat(uiConfig.X_TS_init)
|
*/
|
||||||
],
|
_registerChild() {
|
||||||
timeStep: parseFloat(uiConfig.timeStep),
|
setTimeout(() => {
|
||||||
speedUpFactor: Number(uiConfig.speedUpFactor) || 1
|
this.node.send([
|
||||||
}
|
null,
|
||||||
}
|
null,
|
||||||
|
{ topic: 'registerChild', payload: this.node.id, positionVsParent: this.config?.functionality?.positionVsParent || 'atEquipment' }
|
||||||
/**
|
]);
|
||||||
* Register this node as a child upstream and downstream.
|
}, 100);
|
||||||
* Delayed to avoid Node-RED startup race conditions.
|
}
|
||||||
*/
|
|
||||||
_registerChild() {
|
/**
|
||||||
setTimeout(() => {
|
* Setup reactor class based on config
|
||||||
this.node.send([
|
*/
|
||||||
null,
|
_setupClass() {
|
||||||
null,
|
let new_reactor;
|
||||||
{ topic: 'registerChild', payload: this.node.id, positionVsParent: this.config?.functionality?.positionVsParent || 'atEquipment' }
|
|
||||||
]);
|
switch (this.config.reactor_type) {
|
||||||
}, 100);
|
case "CSTR":
|
||||||
}
|
new_reactor = new Reactor_CSTR(this.config);
|
||||||
|
break;
|
||||||
/**
|
case "PFR":
|
||||||
* Setup reactor class based on config
|
new_reactor = new Reactor_PFR(this.config);
|
||||||
*/
|
break;
|
||||||
_setupClass() {
|
default:
|
||||||
let new_reactor;
|
this.node.warn("Unknown reactor type: " + this.config.reactor_type + ". Falling back to CSTR.");
|
||||||
|
new_reactor = new Reactor_CSTR(this.config);
|
||||||
switch (this.config.reactor_type) {
|
}
|
||||||
case "CSTR":
|
|
||||||
new_reactor = new Reactor_CSTR(this.config);
|
this.source = new_reactor; // protect from reassignment
|
||||||
break;
|
this.node.source = this.source;
|
||||||
case "PFR":
|
}
|
||||||
new_reactor = new Reactor_PFR(this.config);
|
|
||||||
break;
|
_startTickLoop() {
|
||||||
default:
|
setTimeout(() => {
|
||||||
this.node.warn("Unknown reactor type: " + this.config.reactor_type + ". Falling back to CSTR.");
|
this._tickInterval = setInterval(() => this._tick(), 1000);
|
||||||
new_reactor = new Reactor_CSTR(this.config);
|
}, 1000);
|
||||||
}
|
}
|
||||||
|
|
||||||
this.source = new_reactor; // protect from reassignment
|
|
||||||
this.node.source = this.source;
|
|
||||||
}
|
|
||||||
|
|
||||||
_startTickLoop() {
|
|
||||||
setTimeout(() => {
|
|
||||||
this._tickInterval = setInterval(() => this._tick(), 1000);
|
|
||||||
}, 1000);
|
|
||||||
}
|
|
||||||
|
|
||||||
_tick(){
|
_tick(){
|
||||||
const gridProfile = this.source.getGridProfile;
|
const gridProfile = this.source.getGridProfile;
|
||||||
if (gridProfile) {
|
if (gridProfile) {
|
||||||
@@ -209,10 +199,10 @@ class nodeClass {
|
|||||||
|
|
||||||
_attachCloseHandler() {
|
_attachCloseHandler() {
|
||||||
this.node.on('close', (done) => {
|
this.node.on('close', (done) => {
|
||||||
clearInterval(this._tickInterval);
|
clearInterval(this._tickInterval);
|
||||||
if (typeof done === 'function') done();
|
if (typeof done === 'function') done();
|
||||||
});
|
});
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
module.exports = nodeClass;
|
module.exports = nodeClass;
|
||||||
|
|||||||
@@ -1,211 +1,211 @@
|
|||||||
const math = require('mathjs')
|
const math = require('mathjs')
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* ASM3 class for the Activated Sludge Model No. 3 (ASM3). Using Koch et al. 2000 parameters.
|
* ASM3 class for the Activated Sludge Model No. 3 (ASM3). Using Koch et al. 2000 parameters.
|
||||||
*/
|
*/
|
||||||
class ASM3 {
|
class ASM3 {
|
||||||
|
|
||||||
constructor() {
|
constructor() {
|
||||||
/**
|
/**
|
||||||
* Kinetic parameters for ASM3 at 20 C. Using Koch et al. 2000 parameters.
|
* Kinetic parameters for ASM3 at 20 C. Using Koch et al. 2000 parameters.
|
||||||
* @property {Object} kin_params - Kinetic parameters
|
* @property {Object} kin_params - Kinetic parameters
|
||||||
*/
|
*/
|
||||||
this.kin_params = {
|
this.kin_params = {
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
k_H: 9., // hydrolysis rate constant [g X_S g-1 X_H d-1]
|
k_H: 9., // hydrolysis rate constant [g X_S g-1 X_H d-1]
|
||||||
K_X: 1., // hydrolysis saturation constant [g X_S g-1 X_H]
|
K_X: 1., // hydrolysis saturation constant [g X_S g-1 X_H]
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
k_STO: 12., // storage rate constant [g S_S g-1 X_H d-1]
|
k_STO: 12., // storage rate constant [g S_S g-1 X_H d-1]
|
||||||
nu_NO: 0.5, // anoxic reduction factor [-]
|
nu_NO: 0.5, // anoxic reduction factor [-]
|
||||||
K_O: 0.2, // saturation constant S_0 [g O2 m-3]
|
K_O: 0.2, // saturation constant S_0 [g O2 m-3]
|
||||||
K_NO: 0.5, // saturation constant S_NO [g NO3-N m-3]
|
K_NO: 0.5, // saturation constant S_NO [g NO3-N m-3]
|
||||||
K_S: 10., // saturation constant S_s [g COD m-3]
|
K_S: 10., // saturation constant S_s [g COD m-3]
|
||||||
K_STO: 0.1, // saturation constant X_STO [g X_STO g-1 X_H]
|
K_STO: 0.1, // saturation constant X_STO [g X_STO g-1 X_H]
|
||||||
mu_H_max: 3., // maximum specific growth rate [d-1]
|
mu_H_max: 3., // maximum specific growth rate [d-1]
|
||||||
K_NH: 0.01, // saturation constant S_NH3 [g NH3-N m-3]
|
K_NH: 0.01, // saturation constant S_NH3 [g NH3-N m-3]
|
||||||
K_HCO: 0.1, // saturation constant S_HCO [mole HCO3 m-3]
|
K_HCO: 0.1, // saturation constant S_HCO [mole HCO3 m-3]
|
||||||
b_H_O: 0.3, // aerobic respiration rate [d-1]
|
b_H_O: 0.3, // aerobic respiration rate [d-1]
|
||||||
b_H_NO: 0.15, // anoxic respiration rate [d-1]
|
b_H_NO: 0.15, // anoxic respiration rate [d-1]
|
||||||
b_STO_O: 0.3, // aerobic respitation rate X_STO [d-1]
|
b_STO_O: 0.3, // aerobic respitation rate X_STO [d-1]
|
||||||
b_STO_NO: 0.15, // anoxic respitation rate X_STO [d-1]
|
b_STO_NO: 0.15, // anoxic respitation rate X_STO [d-1]
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
mu_A_max: 1.3, // maximum specific growth rate [d-1]
|
mu_A_max: 1.3, // maximum specific growth rate [d-1]
|
||||||
K_A_NH: 1.4, // saturation constant S_NH3 [g NH3-N m-3]
|
K_A_NH: 1.4, // saturation constant S_NH3 [g NH3-N m-3]
|
||||||
K_A_O: 0.5, // saturation constant S_0 [g O2 m-3]
|
K_A_O: 0.5, // saturation constant S_0 [g O2 m-3]
|
||||||
K_A_HCO: 0.5, // saturation constant S_HCO [mole HCO3 m-3]
|
K_A_HCO: 0.5, // saturation constant S_HCO [mole HCO3 m-3]
|
||||||
b_A_O: 0.20, // aerobic respiration rate [d-1]
|
b_A_O: 0.20, // aerobic respiration rate [d-1]
|
||||||
b_A_NO: 0.10 // anoxic respiration rate [d-1]
|
b_A_NO: 0.10 // anoxic respiration rate [d-1]
|
||||||
};
|
};
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Stoichiometric and composition parameters for ASM3. Using Koch et al. 2000 parameters.
|
* Stoichiometric and composition parameters for ASM3. Using Koch et al. 2000 parameters.
|
||||||
* @property {Object} stoi_params - Stoichiometric parameters
|
* @property {Object} stoi_params - Stoichiometric parameters
|
||||||
*/
|
*/
|
||||||
this.stoi_params = {
|
this.stoi_params = {
|
||||||
// Fractions
|
// Fractions
|
||||||
f_SI: 0., // fraction S_I from hydrolysis [g S_I g-1 X_S]
|
f_SI: 0., // fraction S_I from hydrolysis [g S_I g-1 X_S]
|
||||||
f_XI: 0.2, // fraction X_I from decomp X_H [g X_I g-1 X_H]
|
f_XI: 0.2, // fraction X_I from decomp X_H [g X_I g-1 X_H]
|
||||||
// Yields
|
// Yields
|
||||||
Y_STO_O: 0.80, // aerobic yield X_STO per S_S [g X_STO g-1 S_S]
|
Y_STO_O: 0.80, // aerobic yield X_STO per S_S [g X_STO g-1 S_S]
|
||||||
Y_STO_NO: 0.70, // anoxic yield X_STO per S_S [g X_STO g-1 S_S]
|
Y_STO_NO: 0.70, // anoxic yield X_STO per S_S [g X_STO g-1 S_S]
|
||||||
Y_H_O: 0.80, // aerobic yield X_H per X_STO [g X_H g-1 X_STO]
|
Y_H_O: 0.80, // aerobic yield X_H per X_STO [g X_H g-1 X_STO]
|
||||||
Y_H_NO: 0.65, // anoxic yield X_H per X_STO [g X_H g-1 X_STO]
|
Y_H_NO: 0.65, // anoxic yield X_H per X_STO [g X_H g-1 X_STO]
|
||||||
Y_A: 0.24, // anoxic yield X_A per S_NO [g X_A g-1 NO3-N]
|
Y_A: 0.24, // anoxic yield X_A per S_NO [g X_A g-1 NO3-N]
|
||||||
// Composition (COD via DoR)
|
// Composition (COD via DoR)
|
||||||
i_CODN: -1.71, // COD content (DoR) [g COD g-1 N2-N]
|
i_CODN: -1.71, // COD content (DoR) [g COD g-1 N2-N]
|
||||||
i_CODNO: -4.57, // COD content (DoR) [g COD g-1 NO3-N]
|
i_CODNO: -4.57, // COD content (DoR) [g COD g-1 NO3-N]
|
||||||
// Composition (nitrogen)
|
// Composition (nitrogen)
|
||||||
i_NSI: 0.01, // nitrogen content S_I [g N g-1 S_I]
|
i_NSI: 0.01, // nitrogen content S_I [g N g-1 S_I]
|
||||||
i_NSS: 0.03, // nitrogen content S_S [g N g-1 S_S]
|
i_NSS: 0.03, // nitrogen content S_S [g N g-1 S_S]
|
||||||
i_NXI: 0.04, // nitrogen content X_I [g N g-1 X_I]
|
i_NXI: 0.04, // nitrogen content X_I [g N g-1 X_I]
|
||||||
i_NXS: 0.03, // nitrogen content X_S [g N g-1 X_S]
|
i_NXS: 0.03, // nitrogen content X_S [g N g-1 X_S]
|
||||||
i_NBM: 0.07, // nitrogen content X_H / X_A [g N g-1 X_H / X_A]
|
i_NBM: 0.07, // nitrogen content X_H / X_A [g N g-1 X_H / X_A]
|
||||||
// Composition (TSS)
|
// Composition (TSS)
|
||||||
i_TSXI: 0.75, // TSS content X_I [g TS g-1 X_I]
|
i_TSXI: 0.75, // TSS content X_I [g TS g-1 X_I]
|
||||||
i_TSXS: 0.75, // TSS content X_S [g TS g-1 X_S]
|
i_TSXS: 0.75, // TSS content X_S [g TS g-1 X_S]
|
||||||
i_TSBM: 0.90, // TSS content X_H / X_A [g TS g-1 X_H / X_A]
|
i_TSBM: 0.90, // TSS content X_H / X_A [g TS g-1 X_H / X_A]
|
||||||
i_TSSTO: 0.60, // TSS content X_STO (PHB based) [g TS g-1 X_STO]
|
i_TSSTO: 0.60, // TSS content X_STO (PHB based) [g TS g-1 X_STO]
|
||||||
// Composition (charge)
|
// Composition (charge)
|
||||||
i_cNH: 1/14, // charge per S_NH [mole H+ g-1 NH3-N]
|
i_cNH: 1/14, // charge per S_NH [mole H+ g-1 NH3-N]
|
||||||
i_cNO: -1/14 // charge per S_NO [mole H+ g-1 NO3-N]
|
i_cNO: -1/14 // charge per S_NO [mole H+ g-1 NO3-N]
|
||||||
};
|
};
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Temperature theta parameters for ASM3. Using Koch et al. 2000 parameters.
|
* Temperature theta parameters for ASM3. Using Koch et al. 2000 parameters.
|
||||||
* These parameters are used to adjust reaction rates based on temperature.
|
* These parameters are used to adjust reaction rates based on temperature.
|
||||||
* @property {Object} temp_params - Temperature theta parameters
|
* @property {Object} temp_params - Temperature theta parameters
|
||||||
*/
|
*/
|
||||||
this.temp_params = {
|
this.temp_params = {
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
theta_H: 0.04,
|
theta_H: 0.04,
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
theta_STO: 0.07,
|
theta_STO: 0.07,
|
||||||
theta_mu_H: 0.07,
|
theta_mu_H: 0.07,
|
||||||
theta_b_H_O: 0.07,
|
theta_b_H_O: 0.07,
|
||||||
theta_b_H_NO: 0.07,
|
theta_b_H_NO: 0.07,
|
||||||
theta_b_STO_O: this._compute_theta(0.1, 0.3, 10, 20),
|
theta_b_STO_O: this._compute_theta(0.1, 0.3, 10, 20),
|
||||||
theta_b_STO_NO: this._compute_theta(0.05, 0.15, 10, 20),
|
theta_b_STO_NO: this._compute_theta(0.05, 0.15, 10, 20),
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
theta_mu_A: 0.105,
|
theta_mu_A: 0.105,
|
||||||
theta_b_A_O: 0.105,
|
theta_b_A_O: 0.105,
|
||||||
theta_b_A_NO: 0.105
|
theta_b_A_NO: 0.105
|
||||||
};
|
};
|
||||||
|
|
||||||
this.stoi_matrix = this._initialise_stoi_matrix();
|
this.stoi_matrix = this._initialise_stoi_matrix();
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Initialises the stoichiometric matrix for ASM3.
|
* Initialises the stoichiometric matrix for ASM3.
|
||||||
* @returns {Array} - The stoichiometric matrix for ASM3. (2D array)
|
* @returns {Array} - The stoichiometric matrix for ASM3. (2D array)
|
||||||
*/
|
*/
|
||||||
_initialise_stoi_matrix() { // initialise stoichiometric matrix
|
_initialise_stoi_matrix() { // initialise stoichiometric matrix
|
||||||
const { f_SI, f_XI, Y_STO_O, Y_STO_NO, Y_H_O, Y_H_NO, Y_A, i_CODN, i_CODNO, i_NSI, i_NSS, i_NXI, i_NXS, i_NBM, i_TSXI, i_TSXS, i_TSBM, i_TSSTO, i_cNH, i_cNO } = this.stoi_params;
|
const { f_SI, f_XI, Y_STO_O, Y_STO_NO, Y_H_O, Y_H_NO, Y_A, i_CODN, i_CODNO, i_NSI, i_NSS, i_NXI, i_NXS, i_NBM, i_TSXI, i_TSXS, i_TSBM, i_TSSTO, i_cNH, i_cNO } = this.stoi_params;
|
||||||
|
|
||||||
const stoi_matrix = Array(12);
|
const stoi_matrix = Array(12);
|
||||||
// S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
stoi_matrix[0] = [0., f_SI, 1.-f_SI, i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI, 0., 0., (i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI)*i_cNH, 0., -1., 0., 0., 0., -i_TSXS];
|
stoi_matrix[0] = [0., f_SI, 1.-f_SI, i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI, 0., 0., (i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI)*i_cNH, 0., -1., 0., 0., 0., -i_TSXS];
|
||||||
stoi_matrix[1] = [-(1.-Y_STO_O), 0, -1., i_NSS, 0., 0., i_NSS*i_cNH, 0., 0., 0., Y_STO_O, 0., Y_STO_O*i_TSSTO];
|
stoi_matrix[1] = [-(1.-Y_STO_O), 0, -1., i_NSS, 0., 0., i_NSS*i_cNH, 0., 0., 0., Y_STO_O, 0., Y_STO_O*i_TSSTO];
|
||||||
stoi_matrix[2] = [0., 0., -1., i_NSS, -(1.-Y_STO_NO)/(i_CODNO-i_CODN), (1.-Y_STO_NO)/(i_CODNO-i_CODN), i_NSS*i_cNH + (1.-Y_STO_NO)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., Y_STO_NO, 0., Y_STO_NO*i_TSSTO];
|
stoi_matrix[2] = [0., 0., -1., i_NSS, -(1.-Y_STO_NO)/(i_CODNO-i_CODN), (1.-Y_STO_NO)/(i_CODNO-i_CODN), i_NSS*i_cNH + (1.-Y_STO_NO)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., Y_STO_NO, 0., Y_STO_NO*i_TSSTO];
|
||||||
stoi_matrix[3] = [-(1.-Y_H_O)/Y_H_O, 0., 0., -i_NBM, 0., 0., -i_NBM*i_cNH, 0., 0., 1., -1./Y_H_O, 0., i_TSBM-i_TSSTO/Y_H_O];
|
stoi_matrix[3] = [-(1.-Y_H_O)/Y_H_O, 0., 0., -i_NBM, 0., 0., -i_NBM*i_cNH, 0., 0., 1., -1./Y_H_O, 0., i_TSBM-i_TSSTO/Y_H_O];
|
||||||
stoi_matrix[4] = [0., 0., 0., -i_NBM, -(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), (1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), -i_NBM*i_cNH+(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN))*i_cNO, 0., 0., 1., -1./Y_H_NO, 0., i_TSBM-i_TSSTO/Y_H_NO];
|
stoi_matrix[4] = [0., 0., 0., -i_NBM, -(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), (1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), -i_NBM*i_cNH+(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN))*i_cNO, 0., 0., 1., -1./Y_H_NO, 0., i_TSBM-i_TSSTO/Y_H_NO];
|
||||||
stoi_matrix[5] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[5] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[6] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[6] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[7] = [-1., 0., 0., 0., 0., 0., 0., 0., 0., 0., -1., 0., -i_TSSTO];
|
stoi_matrix[7] = [-1., 0., 0., 0., 0., 0., 0., 0., 0., 0., -1., 0., -i_TSSTO];
|
||||||
stoi_matrix[8] = [0., 0., 0., 0., -1./(i_CODNO-i_CODN), 1./(i_CODNO-i_CODN), i_cNO/(i_CODNO-i_CODN), 0., 0., 0., -1., 0., -i_TSSTO];
|
stoi_matrix[8] = [0., 0., 0., 0., -1./(i_CODNO-i_CODN), 1./(i_CODNO-i_CODN), i_cNO/(i_CODNO-i_CODN), 0., 0., 0., -1., 0., -i_TSSTO];
|
||||||
stoi_matrix[9] = [1.+i_CODNO/Y_A, 0., 0., -1./Y_A-i_NBM, 0., 1./Y_A, (-1./Y_A-i_NBM)*i_cNH+i_cNO/Y_A, 0., 0., 0., 0., 1., i_TSBM];
|
stoi_matrix[9] = [1.+i_CODNO/Y_A, 0., 0., -1./Y_A-i_NBM, 0., 1./Y_A, (-1./Y_A-i_NBM)*i_cNH+i_cNO/Y_A, 0., 0., 0., 0., 1., i_TSBM];
|
||||||
stoi_matrix[10] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[10] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[11] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[11] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
||||||
|
|
||||||
return stoi_matrix[0].map((col, i) => stoi_matrix.map(row => row[i])); // transpose matrix
|
return stoi_matrix[0].map((col, i) => stoi_matrix.map(row => row[i])); // transpose matrix
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the Monod equation rate value for a given concentration and half-saturation constant.
|
* Computes the Monod equation rate value for a given concentration and half-saturation constant.
|
||||||
* @param {number} c - Concentration of reaction species.
|
* @param {number} c - Concentration of reaction species.
|
||||||
* @param {number} K - Half-saturation constant for the reaction species.
|
* @param {number} K - Half-saturation constant for the reaction species.
|
||||||
* @returns {number} - Monod equation rate value for the given concentration and half-saturation constant.
|
* @returns {number} - Monod equation rate value for the given concentration and half-saturation constant.
|
||||||
*/
|
*/
|
||||||
_monod(c, K) {
|
_monod(c, K) {
|
||||||
return c / (K + c);
|
return c / (K + c);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the inverse Monod equation rate value for a given concentration and half-saturation constant. Used for inhibition.
|
* Computes the inverse Monod equation rate value for a given concentration and half-saturation constant. Used for inhibition.
|
||||||
* @param {number} c - Concentration of reaction species.
|
* @param {number} c - Concentration of reaction species.
|
||||||
* @param {number} K - Half-saturation constant for the reaction species.
|
* @param {number} K - Half-saturation constant for the reaction species.
|
||||||
* @returns {number} - Inverse Monod equation rate value for the given concentration and half-saturation constant.
|
* @returns {number} - Inverse Monod equation rate value for the given concentration and half-saturation constant.
|
||||||
*/
|
*/
|
||||||
_inv_monod(c, K) {
|
_inv_monod(c, K) {
|
||||||
return K / (K + c);
|
return K / (K + c);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Adjust the rate parameter for temperature T using simplied Arrhenius equation based on rate constant at 20 degrees Celsius and theta parameter.
|
* Adjust the rate parameter for temperature T using simplied Arrhenius equation based on rate constant at 20 degrees Celsius and theta parameter.
|
||||||
* @param {number} k - Rate constant at 20 degrees Celcius.
|
* @param {number} k - Rate constant at 20 degrees Celcius.
|
||||||
* @param {number} theta - Theta parameter.
|
* @param {number} theta - Theta parameter.
|
||||||
* @param {number} T - Temperature in Celcius.
|
* @param {number} T - Temperature in Celcius.
|
||||||
* @returns {number} - Adjusted rate parameter at temperature T based on the Arrhenius equation.
|
* @returns {number} - Adjusted rate parameter at temperature T based on the Arrhenius equation.
|
||||||
*/
|
*/
|
||||||
_arrhenius(k, theta, T) {
|
_arrhenius(k, theta, T) {
|
||||||
return k * Math.exp(theta*(T-20));
|
return k * Math.exp(theta*(T-20));
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the temperature theta parameter based on two rate constants and their corresponding temperatures.
|
* Computes the temperature theta parameter based on two rate constants and their corresponding temperatures.
|
||||||
* @param {number} k1 - Rate constant at temperature T1.
|
* @param {number} k1 - Rate constant at temperature T1.
|
||||||
* @param {number} k2 - Rate constant at temperature T2.
|
* @param {number} k2 - Rate constant at temperature T2.
|
||||||
* @param {number} T1 - Temperature T1 in Celcius.
|
* @param {number} T1 - Temperature T1 in Celcius.
|
||||||
* @param {number} T2 - Temperature T2 in Celcius.
|
* @param {number} T2 - Temperature T2 in Celcius.
|
||||||
* @returns {number} - Theta parameter.
|
* @returns {number} - Theta parameter.
|
||||||
*/
|
*/
|
||||||
_compute_theta(k1, k2, T1, T2) {
|
_compute_theta(k1, k2, T1, T2) {
|
||||||
return Math.log(k1/k2)/(T1-T2);
|
return Math.log(k1/k2)/(T1-T2);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the reaction rates for each process reaction based on the current state and temperature.
|
* Computes the reaction rates for each process reaction based on the current state and temperature.
|
||||||
* @param {Array} state - State vector containing concentrations of reaction species.
|
* @param {Array} state - State vector containing concentrations of reaction species.
|
||||||
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
||||||
* @returns {Array} - Reaction rates for each process reaction.
|
* @returns {Array} - Reaction rates for each process reaction.
|
||||||
*/
|
*/
|
||||||
compute_rates(state, T = 20) {
|
compute_rates(state, T = 20) {
|
||||||
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
const rates = Array(12);
|
const rates = Array(12);
|
||||||
const [S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS] = state;
|
const [S_O, , S_S, S_NH, , S_NO, S_HCO, , X_S, X_H, X_STO, X_A] = state;
|
||||||
const { k_H, K_X, k_STO, nu_NO, K_O, K_NO, K_S, K_STO, mu_H_max, K_NH, K_HCO, b_H_O, b_H_NO, b_STO_O, b_STO_NO, mu_A_max, K_A_NH, K_A_O, K_A_HCO, b_A_O, b_A_NO } = this.kin_params;
|
const { k_H, K_X, k_STO, nu_NO, K_O, K_NO, K_S, K_STO, mu_H_max, K_NH, K_HCO, b_H_O, b_H_NO, b_STO_O, b_STO_NO, mu_A_max, K_A_NH, K_A_O, K_A_HCO, b_A_O, b_A_NO } = this.kin_params;
|
||||||
const { theta_H, theta_STO, theta_mu_H, theta_b_H_O, theta_b_H_NO, theta_b_STO_O, theta_b_STO_NO, theta_mu_A, theta_b_A_O, theta_b_A_NO } = this.temp_params;
|
const { theta_H, theta_STO, theta_mu_H, theta_b_H_O, theta_b_H_NO, theta_b_STO_O, theta_b_STO_NO, theta_mu_A, theta_b_A_O, theta_b_A_NO } = this.temp_params;
|
||||||
|
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
rates[0] = X_H == 0 ? 0 : this._arrhenius(k_H, theta_H, T) * this._monod(X_S / X_H, K_X) * X_H;
|
rates[0] = X_H == 0 ? 0 : this._arrhenius(k_H, theta_H, T) * this._monod(X_S / X_H, K_X) * X_H;
|
||||||
|
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
rates[1] = this._arrhenius(k_STO, theta_STO, T) * this._monod(S_O, K_O) * this._monod(S_S, K_S) * X_H;
|
rates[1] = this._arrhenius(k_STO, theta_STO, T) * this._monod(S_O, K_O) * this._monod(S_S, K_S) * X_H;
|
||||||
rates[2] = this._arrhenius(k_STO, theta_STO, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_S, K_S) * X_H;
|
rates[2] = this._arrhenius(k_STO, theta_STO, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_S, K_S) * X_H;
|
||||||
rates[3] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * this._monod(S_O, K_O) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
rates[3] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * this._monod(S_O, K_O) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
||||||
rates[4] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
rates[4] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
||||||
rates[5] = this._arrhenius(b_H_O, theta_b_H_O, T) * this._monod(S_O, K_O) * X_H;
|
rates[5] = this._arrhenius(b_H_O, theta_b_H_O, T) * this._monod(S_O, K_O) * X_H;
|
||||||
rates[6] = this._arrhenius(b_H_NO, theta_b_H_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_H;
|
rates[6] = this._arrhenius(b_H_NO, theta_b_H_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_H;
|
||||||
rates[7] = this._arrhenius(b_STO_O, theta_b_STO_O, T) * this._monod(S_O, K_O) * X_H;
|
rates[7] = this._arrhenius(b_STO_O, theta_b_STO_O, T) * this._monod(S_O, K_O) * X_H;
|
||||||
rates[8] = this._arrhenius(b_STO_NO, theta_b_STO_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_STO;
|
rates[8] = this._arrhenius(b_STO_NO, theta_b_STO_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_STO;
|
||||||
|
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
rates[9] = this._arrhenius(mu_A_max, theta_mu_A, T) * this._monod(S_O, K_A_O) * this._monod(S_NH, K_A_NH) * this._monod(S_HCO, K_A_HCO) * X_A;
|
rates[9] = this._arrhenius(mu_A_max, theta_mu_A, T) * this._monod(S_O, K_A_O) * this._monod(S_NH, K_A_NH) * this._monod(S_HCO, K_A_HCO) * X_A;
|
||||||
rates[10] = this._arrhenius(b_A_O, theta_b_A_O, T) * this._monod(S_O, K_O) * X_A;
|
rates[10] = this._arrhenius(b_A_O, theta_b_A_O, T) * this._monod(S_O, K_O) * X_A;
|
||||||
rates[11] = this._arrhenius(b_A_NO, theta_b_A_NO, T) * this._inv_monod(S_O, K_A_O) * this._monod(S_NO, K_NO) * X_A;
|
rates[11] = this._arrhenius(b_A_NO, theta_b_A_NO, T) * this._inv_monod(S_O, K_A_O) * this._monod(S_NO, K_NO) * X_A;
|
||||||
|
|
||||||
return rates;
|
return rates;
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the change in concentrations of reaction species based on the current state and temperature.
|
* Computes the change in concentrations of reaction species based on the current state and temperature.
|
||||||
* @param {Array} state - State vector containing concentrations of reaction species.
|
* @param {Array} state - State vector containing concentrations of reaction species.
|
||||||
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
||||||
* @returns {Array} - Change in reaction species concentrations.
|
* @returns {Array} - Change in reaction species concentrations.
|
||||||
*/
|
*/
|
||||||
compute_dC(state, T = 20) { // compute changes in concentrations
|
compute_dC(state, T = 20) { // compute changes in concentrations
|
||||||
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
return math.multiply(this.stoi_matrix, this.compute_rates(state, T));
|
return math.multiply(this.stoi_matrix, this.compute_rates(state, T));
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
module.exports = ASM3;
|
module.exports = ASM3;
|
||||||
|
|||||||
@@ -1,211 +1,211 @@
|
|||||||
const math = require('mathjs')
|
const math = require('mathjs')
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* ASM3 class for the Activated Sludge Model No. 3 (ASM3).
|
* ASM3 class for the Activated Sludge Model No. 3 (ASM3).
|
||||||
*/
|
*/
|
||||||
class ASM3 {
|
class ASM3 {
|
||||||
|
|
||||||
constructor() {
|
constructor() {
|
||||||
/**
|
/**
|
||||||
* Kinetic parameters for ASM3 at 20 C.
|
* Kinetic parameters for ASM3 at 20 C.
|
||||||
* @property {Object} kin_params - Kinetic parameters
|
* @property {Object} kin_params - Kinetic parameters
|
||||||
*/
|
*/
|
||||||
this.kin_params = {
|
this.kin_params = {
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
k_H: 3., // hydrolysis rate constant [g X_S g-1 X_H d-1]
|
k_H: 3., // hydrolysis rate constant [g X_S g-1 X_H d-1]
|
||||||
K_X: 1., // hydrolysis saturation constant [g X_S g-1 X_H]
|
K_X: 1., // hydrolysis saturation constant [g X_S g-1 X_H]
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
k_STO: 5., // storage rate constant [g S_S g-1 X_H d-1]
|
k_STO: 5., // storage rate constant [g S_S g-1 X_H d-1]
|
||||||
nu_NO: 0.6, // anoxic reduction factor [-]
|
nu_NO: 0.6, // anoxic reduction factor [-]
|
||||||
K_O: 0.2, // saturation constant S_0 [g O2 m-3]
|
K_O: 0.2, // saturation constant S_0 [g O2 m-3]
|
||||||
K_NO: 0.5, // saturation constant S_NO [g NO3-N m-3]
|
K_NO: 0.5, // saturation constant S_NO [g NO3-N m-3]
|
||||||
K_S: 2., // saturation constant S_s [g COD m-3]
|
K_S: 2., // saturation constant S_s [g COD m-3]
|
||||||
K_STO: 1., // saturation constant X_STO [g X_STO g-1 X_H]
|
K_STO: 1., // saturation constant X_STO [g X_STO g-1 X_H]
|
||||||
mu_H_max: 2., // maximum specific growth rate [d-1]
|
mu_H_max: 2., // maximum specific growth rate [d-1]
|
||||||
K_NH: 0.01, // saturation constant S_NH3 [g NH3-N m-3]
|
K_NH: 0.01, // saturation constant S_NH3 [g NH3-N m-3]
|
||||||
K_HCO: 0.1, // saturation constant S_HCO [mole HCO3 m-3]
|
K_HCO: 0.1, // saturation constant S_HCO [mole HCO3 m-3]
|
||||||
b_H_O: 0.2, // aerobic respiration rate [d-1]
|
b_H_O: 0.2, // aerobic respiration rate [d-1]
|
||||||
b_H_NO: 0.1, // anoxic respiration rate [d-1]
|
b_H_NO: 0.1, // anoxic respiration rate [d-1]
|
||||||
b_STO_O: 0.2, // aerobic respitation rate X_STO [d-1]
|
b_STO_O: 0.2, // aerobic respitation rate X_STO [d-1]
|
||||||
b_STO_NO: 0.1, // anoxic respitation rate X_STO [d-1]
|
b_STO_NO: 0.1, // anoxic respitation rate X_STO [d-1]
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
mu_A_max: 1.0, // maximum specific growth rate [d-1]
|
mu_A_max: 1.0, // maximum specific growth rate [d-1]
|
||||||
K_A_NH: 1., // saturation constant S_NH3 [g NH3-N m-3]
|
K_A_NH: 1., // saturation constant S_NH3 [g NH3-N m-3]
|
||||||
K_A_O: 0.5, // saturation constant S_0 [g O2 m-3]
|
K_A_O: 0.5, // saturation constant S_0 [g O2 m-3]
|
||||||
K_A_HCO: 0.5, // saturation constant S_HCO [mole HCO3 m-3]
|
K_A_HCO: 0.5, // saturation constant S_HCO [mole HCO3 m-3]
|
||||||
b_A_O: 0.15, // aerobic respiration rate [d-1]
|
b_A_O: 0.15, // aerobic respiration rate [d-1]
|
||||||
b_A_NO: 0.05 // anoxic respiration rate [d-1]
|
b_A_NO: 0.05 // anoxic respiration rate [d-1]
|
||||||
};
|
};
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Stoichiometric and composition parameters for ASM3.
|
* Stoichiometric and composition parameters for ASM3.
|
||||||
* @property {Object} stoi_params - Stoichiometric parameters
|
* @property {Object} stoi_params - Stoichiometric parameters
|
||||||
*/
|
*/
|
||||||
this.stoi_params = {
|
this.stoi_params = {
|
||||||
// Fractions
|
// Fractions
|
||||||
f_SI: 0., // fraction S_I from hydrolysis [g S_I g-1 X_S]
|
f_SI: 0., // fraction S_I from hydrolysis [g S_I g-1 X_S]
|
||||||
f_XI: 0.2, // fraction X_I from decomp X_H [g X_I g-1 X_H]
|
f_XI: 0.2, // fraction X_I from decomp X_H [g X_I g-1 X_H]
|
||||||
// Yields
|
// Yields
|
||||||
Y_STO_O: 0.85, // aerobic yield X_STO per S_S [g X_STO g-1 S_S]
|
Y_STO_O: 0.85, // aerobic yield X_STO per S_S [g X_STO g-1 S_S]
|
||||||
Y_STO_NO: 0.80, // anoxic yield X_STO per S_S [g X_STO g-1 S_S]
|
Y_STO_NO: 0.80, // anoxic yield X_STO per S_S [g X_STO g-1 S_S]
|
||||||
Y_H_O: 0.63, // aerobic yield X_H per X_STO [g X_H g-1 X_STO]
|
Y_H_O: 0.63, // aerobic yield X_H per X_STO [g X_H g-1 X_STO]
|
||||||
Y_H_NO: 0.54, // anoxic yield X_H per X_STO [g X_H g-1 X_STO]
|
Y_H_NO: 0.54, // anoxic yield X_H per X_STO [g X_H g-1 X_STO]
|
||||||
Y_A: 0.24, // anoxic yield X_A per S_NO [g X_A g-1 NO3-N]
|
Y_A: 0.24, // anoxic yield X_A per S_NO [g X_A g-1 NO3-N]
|
||||||
// Composition (COD via DoR)
|
// Composition (COD via DoR)
|
||||||
i_CODN: -1.71, // COD content (DoR) [g COD g-1 N2-N]
|
i_CODN: -1.71, // COD content (DoR) [g COD g-1 N2-N]
|
||||||
i_CODNO: -4.57, // COD content (DoR) [g COD g-1 NO3-N]
|
i_CODNO: -4.57, // COD content (DoR) [g COD g-1 NO3-N]
|
||||||
// Composition (nitrogen)
|
// Composition (nitrogen)
|
||||||
i_NSI: 0.01, // nitrogen content S_I [g N g-1 S_I]
|
i_NSI: 0.01, // nitrogen content S_I [g N g-1 S_I]
|
||||||
i_NSS: 0.03, // nitrogen content S_S [g N g-1 S_S]
|
i_NSS: 0.03, // nitrogen content S_S [g N g-1 S_S]
|
||||||
i_NXI: 0.02, // nitrogen content X_I [g N g-1 X_I]
|
i_NXI: 0.02, // nitrogen content X_I [g N g-1 X_I]
|
||||||
i_NXS: 0.04, // nitrogen content X_S [g N g-1 X_S]
|
i_NXS: 0.04, // nitrogen content X_S [g N g-1 X_S]
|
||||||
i_NBM: 0.07, // nitrogen content X_H / X_A [g N g-1 X_H / X_A]
|
i_NBM: 0.07, // nitrogen content X_H / X_A [g N g-1 X_H / X_A]
|
||||||
// Composition (TSS)
|
// Composition (TSS)
|
||||||
i_TSXI: 0.75, // TSS content X_I [g TS g-1 X_I]
|
i_TSXI: 0.75, // TSS content X_I [g TS g-1 X_I]
|
||||||
i_TSXS: 0.75, // TSS content X_S [g TS g-1 X_S]
|
i_TSXS: 0.75, // TSS content X_S [g TS g-1 X_S]
|
||||||
i_TSBM: 0.90, // TSS content X_H / X_A [g TS g-1 X_H / X_A]
|
i_TSBM: 0.90, // TSS content X_H / X_A [g TS g-1 X_H / X_A]
|
||||||
i_TSSTO: 0.60, // TSS content X_STO (PHB based) [g TS g-1 X_STO]
|
i_TSSTO: 0.60, // TSS content X_STO (PHB based) [g TS g-1 X_STO]
|
||||||
// Composition (charge)
|
// Composition (charge)
|
||||||
i_cNH: 1/14, // charge per S_NH [mole H+ g-1 NH3-N]
|
i_cNH: 1/14, // charge per S_NH [mole H+ g-1 NH3-N]
|
||||||
i_cNO: -1/14 // charge per S_NO [mole H+ g-1 NO3-N]
|
i_cNO: -1/14 // charge per S_NO [mole H+ g-1 NO3-N]
|
||||||
};
|
};
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Temperature theta parameters for ASM3.
|
* Temperature theta parameters for ASM3.
|
||||||
* These parameters are used to adjust reaction rates based on temperature.
|
* These parameters are used to adjust reaction rates based on temperature.
|
||||||
* @property {Object} temp_params - Temperature theta parameters
|
* @property {Object} temp_params - Temperature theta parameters
|
||||||
*/
|
*/
|
||||||
this.temp_params = {
|
this.temp_params = {
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
theta_H: this._compute_theta(2, 3, 10, 20),
|
theta_H: this._compute_theta(2, 3, 10, 20),
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
theta_STO: this._compute_theta(2.5, 5, 10, 20),
|
theta_STO: this._compute_theta(2.5, 5, 10, 20),
|
||||||
theta_mu_H: this._compute_theta(1, 2, 10, 20),
|
theta_mu_H: this._compute_theta(1, 2, 10, 20),
|
||||||
theta_b_H_O: this._compute_theta(0.1, 0.2, 10, 20),
|
theta_b_H_O: this._compute_theta(0.1, 0.2, 10, 20),
|
||||||
theta_b_H_NO: this._compute_theta(0.05, 0.1, 10, 20),
|
theta_b_H_NO: this._compute_theta(0.05, 0.1, 10, 20),
|
||||||
theta_b_STO_O: this._compute_theta(0.1, 0.2, 10, 20),
|
theta_b_STO_O: this._compute_theta(0.1, 0.2, 10, 20),
|
||||||
theta_b_STO_NO: this._compute_theta(0.05, 0.1, 10, 20),
|
theta_b_STO_NO: this._compute_theta(0.05, 0.1, 10, 20),
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
theta_mu_A: this._compute_theta(0.35, 1, 10, 20),
|
theta_mu_A: this._compute_theta(0.35, 1, 10, 20),
|
||||||
theta_b_A_O: this._compute_theta(0.05, 0.15, 10, 20),
|
theta_b_A_O: this._compute_theta(0.05, 0.15, 10, 20),
|
||||||
theta_b_A_NO: this._compute_theta(0.02, 0.05, 10, 20)
|
theta_b_A_NO: this._compute_theta(0.02, 0.05, 10, 20)
|
||||||
};
|
};
|
||||||
|
|
||||||
this.stoi_matrix = this._initialise_stoi_matrix();
|
this.stoi_matrix = this._initialise_stoi_matrix();
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Initialises the stoichiometric matrix for ASM3.
|
* Initialises the stoichiometric matrix for ASM3.
|
||||||
* @returns {Array} - The stoichiometric matrix for ASM3. (2D array)
|
* @returns {Array} - The stoichiometric matrix for ASM3. (2D array)
|
||||||
*/
|
*/
|
||||||
_initialise_stoi_matrix() { // initialise stoichiometric matrix
|
_initialise_stoi_matrix() { // initialise stoichiometric matrix
|
||||||
const { f_SI, f_XI, Y_STO_O, Y_STO_NO, Y_H_O, Y_H_NO, Y_A, i_CODN, i_CODNO, i_NSI, i_NSS, i_NXI, i_NXS, i_NBM, i_TSXI, i_TSXS, i_TSBM, i_TSSTO, i_cNH, i_cNO } = this.stoi_params;
|
const { f_SI, f_XI, Y_STO_O, Y_STO_NO, Y_H_O, Y_H_NO, Y_A, i_CODN, i_CODNO, i_NSI, i_NSS, i_NXI, i_NXS, i_NBM, i_TSXI, i_TSXS, i_TSBM, i_TSSTO, i_cNH, i_cNO } = this.stoi_params;
|
||||||
|
|
||||||
const stoi_matrix = Array(12);
|
const stoi_matrix = Array(12);
|
||||||
// S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
stoi_matrix[0] = [0., f_SI, 1.-f_SI, i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI, 0., 0., (i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI)*i_cNH, 0., -1., 0., 0., 0., -i_TSXS];
|
stoi_matrix[0] = [0., f_SI, 1.-f_SI, i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI, 0., 0., (i_NXS-(1.-f_SI)*i_NSS-f_SI*i_NSI)*i_cNH, 0., -1., 0., 0., 0., -i_TSXS];
|
||||||
stoi_matrix[1] = [-(1.-Y_STO_O), 0, -1., i_NSS, 0., 0., i_NSS*i_cNH, 0., 0., 0., Y_STO_O, 0., Y_STO_O*i_TSSTO];
|
stoi_matrix[1] = [-(1.-Y_STO_O), 0, -1., i_NSS, 0., 0., i_NSS*i_cNH, 0., 0., 0., Y_STO_O, 0., Y_STO_O*i_TSSTO];
|
||||||
stoi_matrix[2] = [0., 0., -1., i_NSS, -(1.-Y_STO_NO)/(i_CODNO-i_CODN), (1.-Y_STO_NO)/(i_CODNO-i_CODN), i_NSS*i_cNH + (1.-Y_STO_NO)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., Y_STO_NO, 0., Y_STO_NO*i_TSSTO];
|
stoi_matrix[2] = [0., 0., -1., i_NSS, -(1.-Y_STO_NO)/(i_CODNO-i_CODN), (1.-Y_STO_NO)/(i_CODNO-i_CODN), i_NSS*i_cNH + (1.-Y_STO_NO)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., Y_STO_NO, 0., Y_STO_NO*i_TSSTO];
|
||||||
stoi_matrix[3] = [-(1.-Y_H_O)/Y_H_O, 0., 0., -i_NBM, 0., 0., -i_NBM*i_cNH, 0., 0., 1., -1./Y_H_O, 0., i_TSBM-i_TSSTO/Y_H_O];
|
stoi_matrix[3] = [-(1.-Y_H_O)/Y_H_O, 0., 0., -i_NBM, 0., 0., -i_NBM*i_cNH, 0., 0., 1., -1./Y_H_O, 0., i_TSBM-i_TSSTO/Y_H_O];
|
||||||
stoi_matrix[4] = [0., 0., 0., -i_NBM, -(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), (1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), -i_NBM*i_cNH+(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN))*i_cNO, 0., 0., 1., -1./Y_H_NO, 0., i_TSBM-i_TSSTO/Y_H_NO];
|
stoi_matrix[4] = [0., 0., 0., -i_NBM, -(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), (1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN)), -i_NBM*i_cNH+(1.-Y_H_NO)/(Y_H_NO*(i_CODNO-i_CODN))*i_cNO, 0., 0., 1., -1./Y_H_NO, 0., i_TSBM-i_TSSTO/Y_H_NO];
|
||||||
stoi_matrix[5] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[5] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[6] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[6] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, f_XI, 0., -1., 0., 0., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[7] = [-1., 0., 0., 0., 0., 0., 0., 0., 0., 0., -1., 0., -i_TSSTO];
|
stoi_matrix[7] = [-1., 0., 0., 0., 0., 0., 0., 0., 0., 0., -1., 0., -i_TSSTO];
|
||||||
stoi_matrix[8] = [0., 0., 0., 0., -1./(i_CODNO-i_CODN), 1./(i_CODNO-i_CODN), i_cNO/(i_CODNO-i_CODN), 0., 0., 0., -1., 0., -i_TSSTO];
|
stoi_matrix[8] = [0., 0., 0., 0., -1./(i_CODNO-i_CODN), 1./(i_CODNO-i_CODN), i_cNO/(i_CODNO-i_CODN), 0., 0., 0., -1., 0., -i_TSSTO];
|
||||||
stoi_matrix[9] = [1.+i_CODNO/Y_A, 0., 0., -1./Y_A-i_NBM, 0., 1./Y_A, (-1./Y_A-i_NBM)*i_cNH+i_cNO/Y_A, 0., 0., 0., 0., 1., i_TSBM];
|
stoi_matrix[9] = [1.+i_CODNO/Y_A, 0., 0., -1./Y_A-i_NBM, 0., 1./Y_A, (-1./Y_A-i_NBM)*i_cNH+i_cNO/Y_A, 0., 0., 0., 0., 1., i_TSBM];
|
||||||
stoi_matrix[10] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[10] = [f_XI-1., 0., 0., i_NBM-f_XI*i_NXI, 0., 0., (i_NBM-f_XI*i_NXI)*i_cNH, f_XI, 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
||||||
stoi_matrix[11] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
stoi_matrix[11] = [0., 0., 0., i_NBM-f_XI*i_NXI, -(1.-f_XI)/(i_CODNO-i_CODN), (1.-f_XI)/(i_CODNO-i_CODN), (i_NBM-f_XI*i_NXI)*i_cNH+(1-f_XI)/(i_CODNO-i_CODN)*i_cNO, 0., 0., 0., 0., -1., f_XI*i_TSXI-i_TSBM];
|
||||||
|
|
||||||
return stoi_matrix[0].map((col, i) => stoi_matrix.map(row => row[i])); // transpose matrix
|
return stoi_matrix[0].map((col, i) => stoi_matrix.map(row => row[i])); // transpose matrix
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the Monod equation rate value for a given concentration and half-saturation constant.
|
* Computes the Monod equation rate value for a given concentration and half-saturation constant.
|
||||||
* @param {number} c - Concentration of reaction species.
|
* @param {number} c - Concentration of reaction species.
|
||||||
* @param {number} K - Half-saturation constant for the reaction species.
|
* @param {number} K - Half-saturation constant for the reaction species.
|
||||||
* @returns {number} - Monod equation rate value for the given concentration and half-saturation constant.
|
* @returns {number} - Monod equation rate value for the given concentration and half-saturation constant.
|
||||||
*/
|
*/
|
||||||
_monod(c, K) {
|
_monod(c, K) {
|
||||||
return c / (K + c);
|
return c / (K + c);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the inverse Monod equation rate value for a given concentration and half-saturation constant. Used for inhibition.
|
* Computes the inverse Monod equation rate value for a given concentration and half-saturation constant. Used for inhibition.
|
||||||
* @param {number} c - Concentration of reaction species.
|
* @param {number} c - Concentration of reaction species.
|
||||||
* @param {number} K - Half-saturation constant for the reaction species.
|
* @param {number} K - Half-saturation constant for the reaction species.
|
||||||
* @returns {number} - Inverse Monod equation rate value for the given concentration and half-saturation constant.
|
* @returns {number} - Inverse Monod equation rate value for the given concentration and half-saturation constant.
|
||||||
*/
|
*/
|
||||||
_inv_monod(c, K) {
|
_inv_monod(c, K) {
|
||||||
return K / (K + c);
|
return K / (K + c);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Adjust the rate parameter for temperature T using simplied Arrhenius equation based on rate constant at 20 degrees Celsius and theta parameter.
|
* Adjust the rate parameter for temperature T using simplied Arrhenius equation based on rate constant at 20 degrees Celsius and theta parameter.
|
||||||
* @param {number} k - Rate constant at 20 degrees Celcius.
|
* @param {number} k - Rate constant at 20 degrees Celcius.
|
||||||
* @param {number} theta - Theta parameter.
|
* @param {number} theta - Theta parameter.
|
||||||
* @param {number} T - Temperature in Celcius.
|
* @param {number} T - Temperature in Celcius.
|
||||||
* @returns {number} - Adjusted rate parameter at temperature T based on the Arrhenius equation.
|
* @returns {number} - Adjusted rate parameter at temperature T based on the Arrhenius equation.
|
||||||
*/
|
*/
|
||||||
_arrhenius(k, theta, T) {
|
_arrhenius(k, theta, T) {
|
||||||
return k * Math.exp(theta*(T-20));
|
return k * Math.exp(theta*(T-20));
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the temperature theta parameter based on two rate constants and their corresponding temperatures.
|
* Computes the temperature theta parameter based on two rate constants and their corresponding temperatures.
|
||||||
* @param {number} k1 - Rate constant at temperature T1.
|
* @param {number} k1 - Rate constant at temperature T1.
|
||||||
* @param {number} k2 - Rate constant at temperature T2.
|
* @param {number} k2 - Rate constant at temperature T2.
|
||||||
* @param {number} T1 - Temperature T1 in Celcius.
|
* @param {number} T1 - Temperature T1 in Celcius.
|
||||||
* @param {number} T2 - Temperature T2 in Celcius.
|
* @param {number} T2 - Temperature T2 in Celcius.
|
||||||
* @returns {number} - Theta parameter.
|
* @returns {number} - Theta parameter.
|
||||||
*/
|
*/
|
||||||
_compute_theta(k1, k2, T1, T2) {
|
_compute_theta(k1, k2, T1, T2) {
|
||||||
return Math.log(k1/k2)/(T1-T2);
|
return Math.log(k1/k2)/(T1-T2);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the reaction rates for each process reaction based on the current state and temperature.
|
* Computes the reaction rates for each process reaction based on the current state and temperature.
|
||||||
* @param {Array} state - State vector containing concentrations of reaction species.
|
* @param {Array} state - State vector containing concentrations of reaction species.
|
||||||
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
||||||
* @returns {Array} - Reaction rates for each process reaction.
|
* @returns {Array} - Reaction rates for each process reaction.
|
||||||
*/
|
*/
|
||||||
compute_rates(state, T = 20) {
|
compute_rates(state, T = 20) {
|
||||||
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
const rates = Array(12);
|
const rates = Array(12);
|
||||||
const [S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS] = state;
|
const [S_O, , S_S, S_NH, , S_NO, S_HCO, , X_S, X_H, X_STO, X_A] = state;
|
||||||
const { k_H, K_X, k_STO, nu_NO, K_O, K_NO, K_S, K_STO, mu_H_max, K_NH, K_HCO, b_H_O, b_H_NO, b_STO_O, b_STO_NO, mu_A_max, K_A_NH, K_A_O, K_A_HCO, b_A_O, b_A_NO } = this.kin_params;
|
const { k_H, K_X, k_STO, nu_NO, K_O, K_NO, K_S, K_STO, mu_H_max, K_NH, K_HCO, b_H_O, b_H_NO, b_STO_O, b_STO_NO, mu_A_max, K_A_NH, K_A_O, K_A_HCO, b_A_O, b_A_NO } = this.kin_params;
|
||||||
const { theta_H, theta_STO, theta_mu_H, theta_b_H_O, theta_b_H_NO, theta_b_STO_O, theta_b_STO_NO, theta_mu_A, theta_b_A_O, theta_b_A_NO } = this.temp_params;
|
const { theta_H, theta_STO, theta_mu_H, theta_b_H_O, theta_b_H_NO, theta_b_STO_O, theta_b_STO_NO, theta_mu_A, theta_b_A_O, theta_b_A_NO } = this.temp_params;
|
||||||
|
|
||||||
// Hydrolysis
|
// Hydrolysis
|
||||||
rates[0] = X_H == 0 ? 0 : this._arrhenius(k_H, theta_H, T) * this._monod(X_S / X_H, K_X) * X_H;
|
rates[0] = X_H == 0 ? 0 : this._arrhenius(k_H, theta_H, T) * this._monod(X_S / X_H, K_X) * X_H;
|
||||||
|
|
||||||
// Heterotrophs
|
// Heterotrophs
|
||||||
rates[1] = this._arrhenius(k_STO, theta_STO, T) * this._monod(S_O, K_O) * this._monod(S_S, K_S) * X_H;
|
rates[1] = this._arrhenius(k_STO, theta_STO, T) * this._monod(S_O, K_O) * this._monod(S_S, K_S) * X_H;
|
||||||
rates[2] = this._arrhenius(k_STO, theta_STO, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_S, K_S) * X_H;
|
rates[2] = this._arrhenius(k_STO, theta_STO, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_S, K_S) * X_H;
|
||||||
rates[3] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * this._monod(S_O, K_O) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
rates[3] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * this._monod(S_O, K_O) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
||||||
rates[4] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
rates[4] = X_H == 0 ? 0 : this._arrhenius(mu_H_max, theta_mu_H, T) * nu_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * this._monod(S_NH, K_NH) * this._monod(S_HCO, K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H;
|
||||||
rates[5] = this._arrhenius(b_H_O, theta_b_H_O, T) * this._monod(S_O, K_O) * X_H;
|
rates[5] = this._arrhenius(b_H_O, theta_b_H_O, T) * this._monod(S_O, K_O) * X_H;
|
||||||
rates[6] = this._arrhenius(b_H_NO, theta_b_H_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_H;
|
rates[6] = this._arrhenius(b_H_NO, theta_b_H_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_H;
|
||||||
rates[7] = this._arrhenius(b_STO_O, theta_b_STO_O, T) * this._monod(S_O, K_O) * X_H;
|
rates[7] = this._arrhenius(b_STO_O, theta_b_STO_O, T) * this._monod(S_O, K_O) * X_H;
|
||||||
rates[8] = this._arrhenius(b_STO_NO, theta_b_STO_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_STO;
|
rates[8] = this._arrhenius(b_STO_NO, theta_b_STO_NO, T) * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_STO;
|
||||||
|
|
||||||
// Autotrophs
|
// Autotrophs
|
||||||
rates[9] = this._arrhenius(mu_A_max, theta_mu_A, T) * this._monod(S_O, K_A_O) * this._monod(S_NH, K_A_NH) * this._monod(S_HCO, K_A_HCO) * X_A;
|
rates[9] = this._arrhenius(mu_A_max, theta_mu_A, T) * this._monod(S_O, K_A_O) * this._monod(S_NH, K_A_NH) * this._monod(S_HCO, K_A_HCO) * X_A;
|
||||||
rates[10] = this._arrhenius(b_A_O, theta_b_A_O, T) * this._monod(S_O, K_O) * X_A;
|
rates[10] = this._arrhenius(b_A_O, theta_b_A_O, T) * this._monod(S_O, K_O) * X_A;
|
||||||
rates[11] = this._arrhenius(b_A_NO, theta_b_A_NO, T) * this._inv_monod(S_O, K_A_O) * this._monod(S_NO, K_NO) * X_A;
|
rates[11] = this._arrhenius(b_A_NO, theta_b_A_NO, T) * this._inv_monod(S_O, K_A_O) * this._monod(S_NO, K_NO) * X_A;
|
||||||
|
|
||||||
return rates;
|
return rates;
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Computes the change in concentrations of reaction species based on the current state and temperature.
|
* Computes the change in concentrations of reaction species based on the current state and temperature.
|
||||||
* @param {Array} state - State vector containing concentrations of reaction species.
|
* @param {Array} state - State vector containing concentrations of reaction species.
|
||||||
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
* @param {number} [T=20] - Temperature in degrees Celsius (default is 20).
|
||||||
* @returns {Array} - Change in reaction species concentrations.
|
* @returns {Array} - Change in reaction species concentrations.
|
||||||
*/
|
*/
|
||||||
compute_dC(state, T = 20) { // compute changes in concentrations
|
compute_dC(state, T = 20) { // compute changes in concentrations
|
||||||
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
return math.multiply(this.stoi_matrix, this.compute_rates(state, T));
|
return math.multiply(this.stoi_matrix, this.compute_rates(state, T));
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
module.exports = ASM3;
|
module.exports = ASM3;
|
||||||
|
|||||||
@@ -1,104 +1,104 @@
|
|||||||
const ASM3 = require('./reaction_modules/asm3_class.js');
|
const ASM3 = require('./reaction_modules/asm3_class.js');
|
||||||
const { create, all, isArray } = require('mathjs');
|
const { create, all, isArray } = require('mathjs');
|
||||||
const { assertNoNaN } = require('./utils.js');
|
const { assertNoNaN } = require('./utils.js');
|
||||||
const { childRegistrationUtils, logger, MeasurementContainer } = require('generalFunctions');
|
const { childRegistrationUtils, logger, MeasurementContainer, POSITIONS } = require('generalFunctions');
|
||||||
const EventEmitter = require('events');
|
const EventEmitter = require('events');
|
||||||
|
|
||||||
const mathConfig = {
|
const mathConfig = {
|
||||||
matrix: 'Array' // use Array as the matrix type
|
matrix: 'Array' // use Array as the matrix type
|
||||||
};
|
};
|
||||||
|
|
||||||
const math = create(all, mathConfig);
|
const math = create(all, mathConfig);
|
||||||
|
|
||||||
const S_O_INDEX = 0;
|
const S_O_INDEX = 0;
|
||||||
const NUM_SPECIES = 13;
|
const NUM_SPECIES = 13;
|
||||||
const DEBUG = false;
|
const DEBUG = false;
|
||||||
|
|
||||||
class Reactor {
|
class Reactor {
|
||||||
/**
|
/**
|
||||||
* Reactor base class.
|
* Reactor base class.
|
||||||
* @param {object} config - Configuration object containing reactor parameters.
|
* @param {object} config - Configuration object containing reactor parameters.
|
||||||
*/
|
*/
|
||||||
constructor(config) {
|
constructor(config) {
|
||||||
this.config = config;
|
this.config = config;
|
||||||
// EVOLV stuff
|
// EVOLV stuff
|
||||||
this.logger = new logger(this.config.general.logging.enabled, this.config.general.logging.logLevel, config.general.name);
|
this.logger = new logger(this.config.general.logging.enabled, this.config.general.logging.logLevel, config.general.name);
|
||||||
this.emitter = new EventEmitter();
|
this.emitter = new EventEmitter();
|
||||||
this.measurements = new MeasurementContainer();
|
this.measurements = new MeasurementContainer();
|
||||||
this.upstreamReactor = null;
|
this.upstreamReactor = null;
|
||||||
this.childRegistrationUtils = new childRegistrationUtils(this); // Child registration utility
|
this.childRegistrationUtils = new childRegistrationUtils(this); // Child registration utility
|
||||||
|
|
||||||
this.asm = new ASM3();
|
this.asm = new ASM3();
|
||||||
|
|
||||||
this.volume = config.volume; // fluid volume reactor [m3]
|
this.volume = config.volume; // fluid volume reactor [m3]
|
||||||
|
|
||||||
this.Fs = Array(config.n_inlets).fill(0); // fluid debits per inlet [m3 d-1]
|
this.Fs = Array(config.n_inlets).fill(0); // fluid debits per inlet [m3 d-1]
|
||||||
this.Cs_in = Array.from(Array(config.n_inlets), () => new Array(NUM_SPECIES).fill(0)); // composition influents
|
this.Cs_in = Array.from(Array(config.n_inlets), () => new Array(NUM_SPECIES).fill(0)); // composition influents
|
||||||
this.OTR = 0.0; // oxygen transfer rate [g O2 d-1 m-3]
|
this.OTR = 0.0; // oxygen transfer rate [g O2 d-1 m-3]
|
||||||
this.temperature = 20; // temperature [C]
|
this.temperature = 20; // temperature [C]
|
||||||
|
|
||||||
this.kla = config.kla; // if NaN, use externaly provided OTR [d-1]
|
this.kla = config.kla; // if NaN, use externaly provided OTR [d-1]
|
||||||
|
|
||||||
this.currentTime = Date.now(); // milliseconds since epoch [ms]
|
this.currentTime = Date.now(); // milliseconds since epoch [ms]
|
||||||
this.timeStep = 1 / (24*60*60) * this.config.timeStep; // time step in seconds, converted to days.
|
this.timeStep = 1 / (24*60*60) * this.config.timeStep; // time step in seconds, converted to days.
|
||||||
this.speedUpFactor = config.speedUpFactor ?? 1; // speed up factor for simulation
|
this.speedUpFactor = config.speedUpFactor ?? 1; // speed up factor for simulation
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Setter for influent data.
|
* Setter for influent data.
|
||||||
* @param {object} input - Input object (msg) containing payload with inlet index, flow rate, and concentrations.
|
* @param {object} input - Input object (msg) containing payload with inlet index, flow rate, and concentrations.
|
||||||
*/
|
*/
|
||||||
set setInfluent(input) {
|
set setInfluent(input) {
|
||||||
let index_in = input.payload.inlet;
|
let index_in = input.payload.inlet;
|
||||||
this.Fs[index_in] = input.payload.F;
|
this.Fs[index_in] = input.payload.F;
|
||||||
this.Cs_in[index_in] = input.payload.C;
|
this.Cs_in[index_in] = input.payload.C;
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Setter for OTR (Oxygen Transfer Rate).
|
* Setter for OTR (Oxygen Transfer Rate).
|
||||||
* @param {object} input - Input object (msg) containing payload with OTR value [g O2 d-1 m-3].
|
* @param {object} input - Input object (msg) containing payload with OTR value [g O2 d-1 m-3].
|
||||||
*/
|
*/
|
||||||
set setOTR(input) {
|
set setOTR(input) {
|
||||||
this.OTR = input.payload;
|
this.OTR = input.payload;
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Setter for reactor temperature [C].
|
* Setter for reactor temperature [C].
|
||||||
* Accepts either a direct numeric payload or { value } object payload.
|
* Accepts either a direct numeric payload or { value } object payload.
|
||||||
* @param {object} input - Input object (msg)
|
* @param {object} input - Input object (msg)
|
||||||
*/
|
*/
|
||||||
set setTemperature(input) {
|
set setTemperature(input) {
|
||||||
const payload = input?.payload;
|
const payload = input?.payload;
|
||||||
const rawValue = (payload && typeof payload === 'object' && payload.value !== undefined)
|
const rawValue = (payload && typeof payload === 'object' && payload.value !== undefined)
|
||||||
? payload.value
|
? payload.value
|
||||||
: payload;
|
: payload;
|
||||||
const parsedValue = Number(rawValue);
|
const parsedValue = Number(rawValue);
|
||||||
if (!Number.isFinite(parsedValue)) {
|
if (!Number.isFinite(parsedValue)) {
|
||||||
this.logger.warn(`Invalid temperature input: ${rawValue}`);
|
this.logger.warn(`Invalid temperature input: ${rawValue}`);
|
||||||
return;
|
return;
|
||||||
}
|
}
|
||||||
this.temperature = parsedValue;
|
this.temperature = parsedValue;
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Getter for effluent data.
|
* Getter for effluent data.
|
||||||
* @returns {object} Effluent data object (msg), defaults to inlet 0.
|
* @returns {object} Effluent data object (msg), defaults to inlet 0.
|
||||||
*/
|
*/
|
||||||
get getEffluent() { // getter for Effluent, defaults to inlet 0
|
get getEffluent() { // getter for Effluent, defaults to inlet 0
|
||||||
if (isArray(this.state.at(-1))) {
|
if (isArray(this.state.at(-1))) {
|
||||||
return { topic: "Fluent", payload: { inlet: 0, F: math.sum(this.Fs), C: this.state.at(-1) }, timestamp: this.currentTime };
|
return { topic: "Fluent", payload: { inlet: 0, F: math.sum(this.Fs), C: this.state.at(-1) }, timestamp: this.currentTime };
|
||||||
}
|
}
|
||||||
return { topic: "Fluent", payload: { inlet: 0, F: math.sum(this.Fs), C: this.state }, timestamp: this.currentTime };
|
return { topic: "Fluent", payload: { inlet: 0, F: math.sum(this.Fs), C: this.state }, timestamp: this.currentTime };
|
||||||
}
|
}
|
||||||
|
|
||||||
get getGridProfile() { return null; }
|
get getGridProfile() { return null; }
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Calculate the oxygen transfer rate (OTR) based on the dissolved oxygen concentration and temperature.
|
* Calculate the oxygen transfer rate (OTR) based on the dissolved oxygen concentration and temperature.
|
||||||
* @param {number} S_O - Dissolved oxygen concentration [g O2 m-3].
|
* @param {number} S_O - Dissolved oxygen concentration [g O2 m-3].
|
||||||
* @param {number} T - Temperature in Celsius, default to 20 C.
|
* @param {number} T - Temperature in Celsius, default to 20 C.
|
||||||
* @returns {number} - Calculated OTR [g O2 d-1 m-3].
|
* @returns {number} - Calculated OTR [g O2 d-1 m-3].
|
||||||
*/
|
*/
|
||||||
_calcOTR(S_O, T = 20.0) { // caculate the OTR using basic correlation, default to temperature: 20 C
|
_calcOTR(S_O, T = 20.0) { // caculate the OTR using basic correlation, default to temperature: 20 C
|
||||||
let S_O_sat = 14.652 - 4.1022e-1 * T + 7.9910e-3 * T*T + 7.7774e-5 * T*T*T;
|
let S_O_sat = 14.652 - 4.1022e-1 * T + 7.9910e-3 * T*T + 7.7774e-5 * T*T*T;
|
||||||
return this.kla * (S_O_sat - S_O);
|
return this.kla * (S_O_sat - S_O);
|
||||||
@@ -126,357 +126,356 @@ class Reactor {
|
|||||||
}
|
}
|
||||||
return capRow(state);
|
return capRow(state);
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Clip values in an array to zero.
|
* Clip values in an array to zero.
|
||||||
* @param {Array} arr - Array of values to clip.
|
* @param {Array} arr - Array of values to clip.
|
||||||
* @returns {Array} - New array with values clipped to zero.
|
* @returns {Array} - New array with values clipped to zero.
|
||||||
*/
|
*/
|
||||||
_arrayClip2Zero(arr) {
|
_arrayClip2Zero(arr) {
|
||||||
if (Array.isArray(arr)) {
|
if (Array.isArray(arr)) {
|
||||||
return arr.map(x => this._arrayClip2Zero(x));
|
return arr.map(x => this._arrayClip2Zero(x));
|
||||||
} else {
|
} else {
|
||||||
return arr < 0 ? 0 : arr;
|
return arr < 0 ? 0 : arr;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
registerChild(child, softwareType) {
|
registerChild(child, softwareType) {
|
||||||
switch (softwareType) {
|
switch (softwareType) {
|
||||||
case "measurement":
|
case "measurement":
|
||||||
this.logger.debug(`Registering measurement child.`);
|
this.logger.debug(`Registering measurement child.`);
|
||||||
this._connectMeasurement(child);
|
this._connectMeasurement(child);
|
||||||
break;
|
break;
|
||||||
case "reactor":
|
case "reactor":
|
||||||
this.logger.debug(`Registering reactor child.`);
|
this.logger.debug(`Registering reactor child.`);
|
||||||
this._connectReactor(child);
|
this._connectReactor(child);
|
||||||
break;
|
break;
|
||||||
|
|
||||||
default:
|
default:
|
||||||
this.logger.error(`Unrecognized softwareType: ${softwareType}`);
|
this.logger.error(`Unrecognized softwareType: ${softwareType}`);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
_connectMeasurement(measurement) {
|
_connectMeasurement(measurement) {
|
||||||
if (!measurement) {
|
if (!measurement) {
|
||||||
this.logger.warn("Invalid measurement provided.");
|
this.logger.warn("Invalid measurement provided.");
|
||||||
return;
|
return;
|
||||||
}
|
}
|
||||||
|
|
||||||
let position;
|
let position;
|
||||||
if (measurement.config.functionality.distance !== 'undefined') {
|
if (measurement.config.functionality.distance !== 'undefined') {
|
||||||
position = measurement.config.functionality.distance;
|
position = measurement.config.functionality.distance;
|
||||||
} else {
|
} else {
|
||||||
position = measurement.config.functionality.positionVsParent;
|
position = measurement.config.functionality.positionVsParent;
|
||||||
}
|
}
|
||||||
const measurementType = measurement.config.asset.type;
|
const measurementType = measurement.config.asset.type;
|
||||||
const key = `${measurementType}_${position}`;
|
const eventName = `${measurementType}.measured.${position}`;
|
||||||
const eventName = `${measurementType}.measured.${position}`;
|
|
||||||
|
// Register event listener for measurement updates
|
||||||
// Register event listener for measurement updates
|
measurement.measurements.emitter.on(eventName, (eventData) => {
|
||||||
measurement.measurements.emitter.on(eventName, (eventData) => {
|
this.logger.debug(`${position} ${measurementType} from ${eventData.childName}: ${eventData.value} ${eventData.unit}`);
|
||||||
this.logger.debug(`${position} ${measurementType} from ${eventData.childName}: ${eventData.value} ${eventData.unit}`);
|
|
||||||
|
// Store directly in parent's measurement container
|
||||||
// Store directly in parent's measurement container
|
this.measurements
|
||||||
this.measurements
|
.type(measurementType)
|
||||||
.type(measurementType)
|
.variant("measured")
|
||||||
.variant("measured")
|
.position(position)
|
||||||
.position(position)
|
.value(eventData.value, eventData.timestamp, eventData.unit);
|
||||||
.value(eventData.value, eventData.timestamp, eventData.unit);
|
|
||||||
|
this._updateMeasurement(measurementType, eventData.value, position, eventData);
|
||||||
this._updateMeasurement(measurementType, eventData.value, position, eventData);
|
});
|
||||||
});
|
}
|
||||||
}
|
|
||||||
|
|
||||||
|
_connectReactor(reactor) {
|
||||||
_connectReactor(reactor) {
|
if (!reactor) {
|
||||||
if (!reactor) {
|
this.logger.warn("Invalid reactor provided.");
|
||||||
this.logger.warn("Invalid reactor provided.");
|
return;
|
||||||
return;
|
}
|
||||||
}
|
|
||||||
|
this.upstreamReactor = reactor;
|
||||||
this.upstreamReactor = reactor;
|
|
||||||
|
reactor.emitter.on("stateChange", (data) => {
|
||||||
reactor.emitter.on("stateChange", (data) => {
|
this.logger.debug(`State change of upstream reactor detected.`);
|
||||||
this.logger.debug(`State change of upstream reactor detected.`);
|
this.updateState(data);
|
||||||
this.updateState(data);
|
});
|
||||||
});
|
}
|
||||||
}
|
|
||||||
|
|
||||||
|
_updateMeasurement(measurementType, value, position, _context) {
|
||||||
_updateMeasurement(measurementType, value, position, context) {
|
this.logger.debug(`---------------------- updating ${measurementType} ------------------ `);
|
||||||
this.logger.debug(`---------------------- updating ${measurementType} ------------------ `);
|
switch (measurementType) {
|
||||||
switch (measurementType) {
|
case "temperature":
|
||||||
case "temperature":
|
if (position == POSITIONS.AT_EQUIPMENT) {
|
||||||
if (position == "atEquipment") {
|
this.temperature = value;
|
||||||
this.temperature = value;
|
}
|
||||||
}
|
break;
|
||||||
break;
|
default:
|
||||||
default:
|
this.logger.error(`Type '${measurementType}' not recognized for measured update.`);
|
||||||
this.logger.error(`Type '${measurementType}' not recognized for measured update.`);
|
return;
|
||||||
return;
|
}
|
||||||
}
|
}
|
||||||
}
|
|
||||||
|
/**
|
||||||
/**
|
* Update the reactor state based on the new time.
|
||||||
* Update the reactor state based on the new time.
|
* @param {number} newTime - New time to update reactor state to, in milliseconds since epoch.
|
||||||
* @param {number} newTime - New time to update reactor state to, in milliseconds since epoch.
|
*/
|
||||||
*/
|
updateState(newTime = Date.now()) { // expect update with timestamp
|
||||||
updateState(newTime = Date.now()) { // expect update with timestamp
|
const day2ms = 1000 * 60 * 60 * 24;
|
||||||
const day2ms = 1000 * 60 * 60 * 24;
|
|
||||||
|
if (this.upstreamReactor) {
|
||||||
if (this.upstreamReactor) {
|
this.setInfluent = this.upstreamReactor.getEffluent;
|
||||||
this.setInfluent = this.upstreamReactor.getEffluent;
|
}
|
||||||
}
|
|
||||||
|
let n_iter = Math.floor(this.speedUpFactor * (newTime-this.currentTime) / (this.timeStep*day2ms));
|
||||||
let n_iter = Math.floor(this.speedUpFactor * (newTime-this.currentTime) / (this.timeStep*day2ms));
|
if (n_iter) {
|
||||||
if (n_iter) {
|
let n = 0;
|
||||||
let n = 0;
|
while (n < n_iter) {
|
||||||
while (n < n_iter) {
|
this.tick(this.timeStep);
|
||||||
this.tick(this.timeStep);
|
n += 1;
|
||||||
n += 1;
|
}
|
||||||
}
|
this.currentTime += n_iter * this.timeStep * day2ms / this.speedUpFactor;
|
||||||
this.currentTime += n_iter * this.timeStep * day2ms / this.speedUpFactor;
|
this.emitter.emit("stateChange", this.currentTime);
|
||||||
this.emitter.emit("stateChange", this.currentTime);
|
}
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
}
|
|
||||||
|
class Reactor_CSTR extends Reactor {
|
||||||
class Reactor_CSTR extends Reactor {
|
/**
|
||||||
/**
|
* Reactor_CSTR class for Continuous Stirred Tank Reactor.
|
||||||
* Reactor_CSTR class for Continuous Stirred Tank Reactor.
|
* @param {object} config - Configuration object containing reactor parameters.
|
||||||
* @param {object} config - Configuration object containing reactor parameters.
|
*/
|
||||||
*/
|
constructor(config) {
|
||||||
constructor(config) {
|
super(config);
|
||||||
super(config);
|
this.state = config.initialState;
|
||||||
this.state = config.initialState;
|
}
|
||||||
}
|
|
||||||
|
/**
|
||||||
/**
|
* Tick the reactor state using the forward Euler method.
|
||||||
* Tick the reactor state using the forward Euler method.
|
* @param {number} time_step - Time step for the simulation [d].
|
||||||
* @param {number} time_step - Time step for the simulation [d].
|
* @returns {Array} - New reactor state.
|
||||||
* @returns {Array} - New reactor state.
|
*/
|
||||||
*/
|
tick(time_step) { // tick reactor state using forward Euler method
|
||||||
tick(time_step) { // tick reactor state using forward Euler method
|
const inflow = math.multiply(math.divide([this.Fs], this.volume), this.Cs_in)[0];
|
||||||
const inflow = math.multiply(math.divide([this.Fs], this.volume), this.Cs_in)[0];
|
const outflow = math.multiply(-1 * math.sum(this.Fs) / this.volume, this.state);
|
||||||
const outflow = math.multiply(-1 * math.sum(this.Fs) / this.volume, this.state);
|
const reaction = this.asm.compute_dC(this.state, this.temperature);
|
||||||
const reaction = this.asm.compute_dC(this.state, this.temperature);
|
const transfer = Array(NUM_SPECIES).fill(0.0);
|
||||||
const transfer = Array(NUM_SPECIES).fill(0.0);
|
transfer[S_O_INDEX] = isNaN(this.kla) ? this.OTR : this._calcOTR(this.state[S_O_INDEX], this.temperature); // calculate OTR if kla is not NaN, otherwise use externaly calculated OTR
|
||||||
transfer[S_O_INDEX] = isNaN(this.kla) ? this.OTR : this._calcOTR(this.state[S_O_INDEX], this.temperature); // calculate OTR if kla is not NaN, otherwise use externaly calculated OTR
|
|
||||||
|
const dC_total = math.multiply(math.add(inflow, outflow, reaction, transfer), time_step)
|
||||||
const dC_total = math.multiply(math.add(inflow, outflow, reaction, transfer), time_step)
|
|
||||||
this.state = this._capDissolvedOxygen(this._arrayClip2Zero(math.add(this.state, dC_total))); // clip concentrations and enforce physical DO saturation
|
this.state = this._capDissolvedOxygen(this._arrayClip2Zero(math.add(this.state, dC_total))); // clip concentrations and enforce physical DO saturation
|
||||||
if(DEBUG){
|
if(DEBUG){
|
||||||
assertNoNaN(dC_total, "change in state");
|
assertNoNaN(dC_total, "change in state");
|
||||||
assertNoNaN(this.state, "new state");
|
assertNoNaN(this.state, "new state");
|
||||||
}
|
}
|
||||||
return this.state;
|
return this.state;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
class Reactor_PFR extends Reactor {
|
class Reactor_PFR extends Reactor {
|
||||||
/**
|
/**
|
||||||
* Reactor_PFR class for Plug Flow Reactor.
|
* Reactor_PFR class for Plug Flow Reactor.
|
||||||
* @param {object} config - Configuration object containing reactor parameters.
|
* @param {object} config - Configuration object containing reactor parameters.
|
||||||
*/
|
*/
|
||||||
constructor(config) {
|
constructor(config) {
|
||||||
super(config);
|
super(config);
|
||||||
|
|
||||||
this.length = config.length; // reactor length [m]
|
this.length = config.length; // reactor length [m]
|
||||||
this.n_x = config.resolution_L; // number of slices
|
this.n_x = config.resolution_L; // number of slices
|
||||||
|
|
||||||
this.d_x = this.length / this.n_x;
|
this.d_x = this.length / this.n_x;
|
||||||
this.A = this.volume / this.length; // crosssectional area [m2]
|
this.A = this.volume / this.length; // crosssectional area [m2]
|
||||||
|
|
||||||
this.alpha = config.alpha;
|
this.alpha = config.alpha;
|
||||||
|
|
||||||
this.state = Array.from(Array(this.n_x), () => config.initialState.slice())
|
this.state = Array.from(Array(this.n_x), () => config.initialState.slice())
|
||||||
|
|
||||||
this.D = 0.0; // axial dispersion [m2 d-1]
|
this.D = 0.0; // axial dispersion [m2 d-1]
|
||||||
|
|
||||||
this.D_op = this._makeDoperator(true, true);
|
this.D_op = this._makeDoperator(true, true);
|
||||||
assertNoNaN(this.D_op, "Derivative operator");
|
assertNoNaN(this.D_op, "Derivative operator");
|
||||||
|
|
||||||
this.D2_op = this._makeD2operator();
|
this.D2_op = this._makeD2operator();
|
||||||
assertNoNaN(this.D2_op, "Second derivative operator");
|
assertNoNaN(this.D2_op, "Second derivative operator");
|
||||||
}
|
}
|
||||||
|
|
||||||
get getGridProfile() {
|
get getGridProfile() {
|
||||||
return {
|
return {
|
||||||
grid: this.state.map(row => row.slice()),
|
grid: this.state.map(row => row.slice()),
|
||||||
n_x: this.n_x,
|
n_x: this.n_x,
|
||||||
d_x: this.d_x,
|
d_x: this.d_x,
|
||||||
length: this.length,
|
length: this.length,
|
||||||
species: ['S_O','S_I','S_S','S_NH','S_N2','S_NO','S_HCO',
|
species: ['S_O','S_I','S_S','S_NH','S_N2','S_NO','S_HCO',
|
||||||
'X_I','X_S','X_H','X_STO','X_A','X_TS'],
|
'X_I','X_S','X_H','X_STO','X_A','X_TS'],
|
||||||
timestamp: this.currentTime
|
timestamp: this.currentTime
|
||||||
};
|
};
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Setter for axial dispersion.
|
* Setter for axial dispersion.
|
||||||
* @param {object} input - Input object (msg) containing payload with dispersion value [m2 d-1].
|
* @param {object} input - Input object (msg) containing payload with dispersion value [m2 d-1].
|
||||||
*/
|
*/
|
||||||
set setDispersion(input) {
|
set setDispersion(input) {
|
||||||
this.D = input.payload;
|
this.D = input.payload;
|
||||||
}
|
}
|
||||||
|
|
||||||
updateState(newTime) {
|
updateState(newTime) {
|
||||||
super.updateState(newTime);
|
super.updateState(newTime);
|
||||||
let Pe_local = this.d_x*math.sum(this.Fs)/(this.D*this.A)
|
let Pe_local = this.d_x*math.sum(this.Fs)/(this.D*this.A)
|
||||||
let Co_D = this.D*this.timeStep/(this.d_x*this.d_x);
|
let Co_D = this.D*this.timeStep/(this.d_x*this.d_x);
|
||||||
|
|
||||||
(Pe_local >= 2) && this.logger.warn(`Local Péclet number (${Pe_local}) is too high! Increase reactor resolution.`);
|
(Pe_local >= 2) && this.logger.warn(`Local Peclet number (${Pe_local}) is too high! Increase reactor resolution.`);
|
||||||
(Co_D >= 0.5) && this.logger.warn(`Courant number (${Co_D}) is too high! Reduce time step size.`);
|
(Co_D >= 0.5) && this.logger.warn(`Courant number (${Co_D}) is too high! Reduce time step size.`);
|
||||||
|
|
||||||
if(DEBUG) {
|
if(DEBUG) {
|
||||||
console.log("Inlet state max " + math.max(this.state[0]))
|
console.log("Inlet state max " + math.max(this.state[0]))
|
||||||
console.log("Pe total " + this.length*math.sum(this.Fs)/(this.D*this.A));
|
console.log("Pe total " + this.length*math.sum(this.Fs)/(this.D*this.A));
|
||||||
console.log("Pe local " + Pe_local);
|
console.log("Pe local " + Pe_local);
|
||||||
console.log("Co ad " + math.sum(this.Fs)*this.timeStep/(this.A*this.d_x));
|
console.log("Co ad " + math.sum(this.Fs)*this.timeStep/(this.A*this.d_x));
|
||||||
console.log("Co D " + Co_D);
|
console.log("Co D " + Co_D);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Tick the reactor state using explicit finite difference method.
|
* Tick the reactor state using explicit finite difference method.
|
||||||
* @param {number} time_step - Time step for the simulation [d].
|
* @param {number} time_step - Time step for the simulation [d].
|
||||||
* @returns {Array} - New reactor state.
|
* @returns {Array} - New reactor state.
|
||||||
*/
|
*/
|
||||||
tick(time_step) {
|
tick(time_step) {
|
||||||
const dispersion = math.multiply(this.D / (this.d_x*this.d_x), this.D2_op, this.state);
|
const dispersion = math.multiply(this.D / (this.d_x*this.d_x), this.D2_op, this.state);
|
||||||
const advection = math.multiply(-1 * math.sum(this.Fs) / (this.A*this.d_x), this.D_op, this.state);
|
const advection = math.multiply(-1 * math.sum(this.Fs) / (this.A*this.d_x), this.D_op, this.state);
|
||||||
const reaction = this.state.map((state_slice) => this.asm.compute_dC(state_slice, this.temperature));
|
const reaction = this.state.map((state_slice) => this.asm.compute_dC(state_slice, this.temperature));
|
||||||
const transfer = Array.from(Array(this.n_x), () => new Array(NUM_SPECIES).fill(0));
|
const transfer = Array.from(Array(this.n_x), () => new Array(NUM_SPECIES).fill(0));
|
||||||
|
|
||||||
if (isNaN(this.kla)) { // calculate OTR if kla is not NaN, otherwise use externally calculated OTR
|
if (isNaN(this.kla)) { // calculate OTR if kla is not NaN, otherwise use externally calculated OTR
|
||||||
for (let i = 1; i < this.n_x - 1; i++) {
|
for (let i = 1; i < this.n_x - 1; i++) {
|
||||||
transfer[i][S_O_INDEX] = this.OTR * this.n_x/(this.n_x-2);
|
transfer[i][S_O_INDEX] = this.OTR * this.n_x/(this.n_x-2);
|
||||||
}
|
}
|
||||||
} else {
|
} else {
|
||||||
for (let i = 1; i < this.n_x - 1; i++) {
|
for (let i = 1; i < this.n_x - 1; i++) {
|
||||||
transfer[i][S_O_INDEX] = this._calcOTR(this.state[i][S_O_INDEX], this.temperature) * this.n_x/(this.n_x-2);
|
transfer[i][S_O_INDEX] = this._calcOTR(this.state[i][S_O_INDEX], this.temperature) * this.n_x/(this.n_x-2);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
const dC_total = math.multiply(math.add(dispersion, advection, reaction, transfer), time_step);
|
const dC_total = math.multiply(math.add(dispersion, advection, reaction, transfer), time_step);
|
||||||
|
|
||||||
const stateNew = math.add(this.state, dC_total);
|
const stateNew = math.add(this.state, dC_total);
|
||||||
this._applyBoundaryConditions(stateNew);
|
this._applyBoundaryConditions(stateNew);
|
||||||
|
|
||||||
if (DEBUG) {
|
if (DEBUG) {
|
||||||
assertNoNaN(dispersion, "dispersion");
|
assertNoNaN(dispersion, "dispersion");
|
||||||
assertNoNaN(advection, "advection");
|
assertNoNaN(advection, "advection");
|
||||||
assertNoNaN(reaction, "reaction");
|
assertNoNaN(reaction, "reaction");
|
||||||
assertNoNaN(dC_total, "change in state");
|
assertNoNaN(dC_total, "change in state");
|
||||||
assertNoNaN(stateNew, "new state post BC");
|
assertNoNaN(stateNew, "new state post BC");
|
||||||
}
|
}
|
||||||
|
|
||||||
this.state = this._capDissolvedOxygen(this._arrayClip2Zero(stateNew));
|
this.state = this._capDissolvedOxygen(this._arrayClip2Zero(stateNew));
|
||||||
return stateNew;
|
return stateNew;
|
||||||
}
|
}
|
||||||
|
|
||||||
_updateMeasurement(measurementType, value, position, context) {
|
_updateMeasurement(measurementType, value, position, context) {
|
||||||
switch(measurementType) {
|
switch(measurementType) {
|
||||||
case "quantity (oxygen)":
|
case "quantity (oxygen)":
|
||||||
if (!Number.isFinite(position) || !Number.isFinite(value) || this.config.length <= 0) {
|
if (!Number.isFinite(position) || !Number.isFinite(value) || this.config.length <= 0) {
|
||||||
this.logger.warn(`Ignoring oxygen measurement update with invalid data (position=${position}, value=${value}).`);
|
this.logger.warn(`Ignoring oxygen measurement update with invalid data (position=${position}, value=${value}).`);
|
||||||
break;
|
break;
|
||||||
}
|
}
|
||||||
{
|
{
|
||||||
// Clamp sensor-derived position to valid PFR grid bounds.
|
// Clamp sensor-derived position to valid PFR grid bounds.
|
||||||
const rawIndex = Math.round(position / this.config.length * this.n_x);
|
const rawIndex = Math.round(position / this.config.length * this.n_x);
|
||||||
const grid_pos = Math.max(0, Math.min(this.n_x - 1, rawIndex));
|
const grid_pos = Math.max(0, Math.min(this.n_x - 1, rawIndex));
|
||||||
this.state[grid_pos][S_O_INDEX] = value; // reconcile measured oxygen concentration into nearest grid cell
|
this.state[grid_pos][S_O_INDEX] = value; // reconcile measured oxygen concentration into nearest grid cell
|
||||||
}
|
}
|
||||||
break;
|
break;
|
||||||
default:
|
default:
|
||||||
super._updateMeasurement(measurementType, value, position, context);
|
super._updateMeasurement(measurementType, value, position, context);
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Apply boundary conditions to the reactor state.
|
* Apply boundary conditions to the reactor state.
|
||||||
* for inlet, apply generalised Danckwerts BC, if there is not flow, apply Neumann BC with no flux
|
* for inlet, apply generalised Danckwerts BC, if there is not flow, apply Neumann BC with no flux
|
||||||
* for outlet, apply regular Danckwerts BC (Neumann BC with no flux)
|
* for outlet, apply regular Danckwerts BC (Neumann BC with no flux)
|
||||||
* @param {Array} state - Current reactor state without enforced BCs.
|
* @param {Array} state - Current reactor state without enforced BCs.
|
||||||
*/
|
*/
|
||||||
_applyBoundaryConditions(state) {
|
_applyBoundaryConditions(state) {
|
||||||
if (math.sum(this.Fs) > 0) { // Danckwerts BC
|
if (math.sum(this.Fs) > 0) { // Danckwerts BC
|
||||||
const BC_C_in = math.multiply(1 / math.sum(this.Fs), [this.Fs], this.Cs_in)[0];
|
const BC_C_in = math.multiply(1 / math.sum(this.Fs), [this.Fs], this.Cs_in)[0];
|
||||||
const BC_dispersion_term = (1-this.alpha)*this.D*this.A/(math.sum(this.Fs)*this.d_x);
|
const BC_dispersion_term = (1-this.alpha)*this.D*this.A/(math.sum(this.Fs)*this.d_x);
|
||||||
state[0] = math.multiply(1/(1+BC_dispersion_term), math.add(BC_C_in, math.multiply(BC_dispersion_term, state[1])));
|
state[0] = math.multiply(1/(1+BC_dispersion_term), math.add(BC_C_in, math.multiply(BC_dispersion_term, state[1])));
|
||||||
} else {
|
} else {
|
||||||
state[0] = state[1];
|
state[0] = state[1];
|
||||||
}
|
}
|
||||||
// Neumann BC (no flux)
|
// Neumann BC (no flux)
|
||||||
state[this.n_x-1] = state[this.n_x-2];
|
state[this.n_x-1] = state[this.n_x-2];
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Create finite difference first derivative operator.
|
* Create finite difference first derivative operator.
|
||||||
* @param {boolean} central - Use central difference scheme if true, otherwise use upwind scheme.
|
* @param {boolean} central - Use central difference scheme if true, otherwise use upwind scheme.
|
||||||
* @param {boolean} higher_order - Use higher order scheme if true, otherwise use first order scheme.
|
* @param {boolean} higher_order - Use higher order scheme if true, otherwise use first order scheme.
|
||||||
* @returns {Array} - First derivative operator matrix.
|
* @returns {Array} - First derivative operator matrix.
|
||||||
*/
|
*/
|
||||||
_makeDoperator(central = false, higher_order = false) { // create gradient operator
|
_makeDoperator(central = false, higher_order = false) { // create gradient operator
|
||||||
if (higher_order) {
|
if (higher_order) {
|
||||||
if (central) {
|
if (central) {
|
||||||
const I = math.resize(math.diag(Array(this.n_x).fill(1/12), -2), [this.n_x, this.n_x]);
|
const I = math.resize(math.diag(Array(this.n_x).fill(1/12), -2), [this.n_x, this.n_x]);
|
||||||
const A = math.resize(math.diag(Array(this.n_x).fill(-2/3), -1), [this.n_x, this.n_x]);
|
const A = math.resize(math.diag(Array(this.n_x).fill(-2/3), -1), [this.n_x, this.n_x]);
|
||||||
const B = math.resize(math.diag(Array(this.n_x).fill(2/3), 1), [this.n_x, this.n_x]);
|
const B = math.resize(math.diag(Array(this.n_x).fill(2/3), 1), [this.n_x, this.n_x]);
|
||||||
const C = math.resize(math.diag(Array(this.n_x).fill(-1/12), 2), [this.n_x, this.n_x]);
|
const C = math.resize(math.diag(Array(this.n_x).fill(-1/12), 2), [this.n_x, this.n_x]);
|
||||||
const D = math.add(I, A, B, C);
|
const D = math.add(I, A, B, C);
|
||||||
const NearBoundary = Array(this.n_x).fill(0.0);
|
const NearBoundary = Array(this.n_x).fill(0.0);
|
||||||
NearBoundary[0] = -1/4;
|
NearBoundary[0] = -1/4;
|
||||||
NearBoundary[1] = -5/6;
|
NearBoundary[1] = -5/6;
|
||||||
NearBoundary[2] = 3/2;
|
NearBoundary[2] = 3/2;
|
||||||
NearBoundary[3] = -1/2;
|
NearBoundary[3] = -1/2;
|
||||||
NearBoundary[4] = 1/12;
|
NearBoundary[4] = 1/12;
|
||||||
D[1] = NearBoundary;
|
D[1] = NearBoundary;
|
||||||
NearBoundary.reverse();
|
NearBoundary.reverse();
|
||||||
D[this.n_x-2] = math.multiply(-1, NearBoundary);
|
D[this.n_x-2] = math.multiply(-1, NearBoundary);
|
||||||
D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
||||||
D[this.n_x-1] = Array(this.n_x).fill(0);
|
D[this.n_x-1] = Array(this.n_x).fill(0);
|
||||||
return D;
|
return D;
|
||||||
} else {
|
} else {
|
||||||
throw new Error("Upwind higher order method not implemented! Use central scheme instead.");
|
throw new Error("Upwind higher order method not implemented! Use central scheme instead.");
|
||||||
}
|
}
|
||||||
} else {
|
} else {
|
||||||
const I = math.resize(math.diag(Array(this.n_x).fill(1 / (1+central)), central), [this.n_x, this.n_x]);
|
const I = math.resize(math.diag(Array(this.n_x).fill(1 / (1+central)), central), [this.n_x, this.n_x]);
|
||||||
const A = math.resize(math.diag(Array(this.n_x).fill(-1 / (1+central)), -1), [this.n_x, this.n_x]);
|
const A = math.resize(math.diag(Array(this.n_x).fill(-1 / (1+central)), -1), [this.n_x, this.n_x]);
|
||||||
const D = math.add(I, A);
|
const D = math.add(I, A);
|
||||||
D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
||||||
D[this.n_x-1] = Array(this.n_x).fill(0);
|
D[this.n_x-1] = Array(this.n_x).fill(0);
|
||||||
return D;
|
return D;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
/**
|
/**
|
||||||
* Create central finite difference second derivative operator.
|
* Create central finite difference second derivative operator.
|
||||||
* @returns {Array} - Second derivative operator matrix.
|
* @returns {Array} - Second derivative operator matrix.
|
||||||
*/
|
*/
|
||||||
_makeD2operator() { // create the central second derivative operator
|
_makeD2operator() { // create the central second derivative operator
|
||||||
const I = math.diag(Array(this.n_x).fill(-2), 0);
|
const I = math.diag(Array(this.n_x).fill(-2), 0);
|
||||||
const A = math.resize(math.diag(Array(this.n_x).fill(1), 1), [this.n_x, this.n_x]);
|
const A = math.resize(math.diag(Array(this.n_x).fill(1), 1), [this.n_x, this.n_x]);
|
||||||
const B = math.resize(math.diag(Array(this.n_x).fill(1), -1), [this.n_x, this.n_x]);
|
const B = math.resize(math.diag(Array(this.n_x).fill(1), -1), [this.n_x, this.n_x]);
|
||||||
const D2 = math.add(I, A, B);
|
const D2 = math.add(I, A, B);
|
||||||
D2[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
D2[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
|
||||||
D2[this.n_x - 1] = Array(this.n_x).fill(0);
|
D2[this.n_x - 1] = Array(this.n_x).fill(0);
|
||||||
return D2;
|
return D2;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
||||||
module.exports = { Reactor_CSTR, Reactor_PFR };
|
module.exports = { Reactor_CSTR, Reactor_PFR };
|
||||||
|
|
||||||
// DEBUG
|
// DEBUG
|
||||||
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
// state: S_O, S_I, S_S, S_NH, S_N2, S_NO, S_HCO, X_I, X_S, X_H, X_STO, X_A, X_TS
|
||||||
// let initial_state = [0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1];
|
// let initial_state = [0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1];
|
||||||
// const Reactor = new Reactor_PFR(200, 10, 10, 1, 100, initial_state);
|
// const Reactor = new Reactor_PFR(200, 10, 10, 1, 100, initial_state);
|
||||||
// Reactor.Cs_in[0] = [0.0, 30., 100., 16., 0., 0., 5., 25., 75., 30., 0., 0., 125.];
|
// Reactor.Cs_in[0] = [0.0, 30., 100., 16., 0., 0., 5., 25., 75., 30., 0., 0., 125.];
|
||||||
// Reactor.Fs[0] = 10;
|
// Reactor.Fs[0] = 10;
|
||||||
// Reactor.D = 0.01;
|
// Reactor.D = 0.01;
|
||||||
// let N = 0;
|
// let N = 0;
|
||||||
// while (N < 5000) {
|
// while (N < 5000) {
|
||||||
// console.log(Reactor.tick(0.001));
|
// console.log(Reactor.tick(0.001));
|
||||||
// N += 1;
|
// N += 1;
|
||||||
// }
|
// }
|
||||||
|
|||||||
346
test/specificClass.test.js
Normal file
346
test/specificClass.test.js
Normal file
@@ -0,0 +1,346 @@
|
|||||||
|
/**
|
||||||
|
* Tests for reactor specificClass (domain logic).
|
||||||
|
*
|
||||||
|
* Two reactor classes are exported: Reactor_CSTR and Reactor_PFR.
|
||||||
|
* Both extend a base Reactor class.
|
||||||
|
*
|
||||||
|
* Key methods tested:
|
||||||
|
* - _calcOTR: oxygen transfer rate calculation
|
||||||
|
* - _arrayClip2Zero: clip negative values to zero
|
||||||
|
* - setInfluent / getEffluent: influent/effluent data flow
|
||||||
|
* - setOTR: external OTR override
|
||||||
|
* - tick (CSTR): forward Euler state update
|
||||||
|
* - tick (PFR): finite difference state update
|
||||||
|
* - registerChild: dispatches to measurement / reactor handlers
|
||||||
|
*/
|
||||||
|
|
||||||
|
const { Reactor_CSTR, Reactor_PFR } = require('../src/specificClass');
|
||||||
|
|
||||||
|
// --------------- helpers ---------------
|
||||||
|
|
||||||
|
const NUM_SPECIES = 13;
|
||||||
|
|
||||||
|
function makeCSTRConfig(overrides = {}) {
|
||||||
|
return {
|
||||||
|
general: {
|
||||||
|
name: 'TestCSTR',
|
||||||
|
id: 'cstr-test-1',
|
||||||
|
logging: { enabled: false, logLevel: 'error' },
|
||||||
|
},
|
||||||
|
functionality: {
|
||||||
|
softwareType: 'reactor',
|
||||||
|
positionVsParent: 'atEquipment',
|
||||||
|
},
|
||||||
|
volume: 1000,
|
||||||
|
n_inlets: 1,
|
||||||
|
kla: 240,
|
||||||
|
timeStep: 1, // 1 second
|
||||||
|
initialState: new Array(NUM_SPECIES).fill(1.0),
|
||||||
|
...overrides,
|
||||||
|
};
|
||||||
|
}
|
||||||
|
|
||||||
|
function makePFRConfig(overrides = {}) {
|
||||||
|
return {
|
||||||
|
general: {
|
||||||
|
name: 'TestPFR',
|
||||||
|
id: 'pfr-test-1',
|
||||||
|
logging: { enabled: false, logLevel: 'error' },
|
||||||
|
},
|
||||||
|
functionality: {
|
||||||
|
softwareType: 'reactor',
|
||||||
|
positionVsParent: 'atEquipment',
|
||||||
|
},
|
||||||
|
volume: 200,
|
||||||
|
length: 10,
|
||||||
|
resolution_L: 10,
|
||||||
|
n_inlets: 1,
|
||||||
|
kla: 240,
|
||||||
|
alpha: 0.5,
|
||||||
|
timeStep: 1,
|
||||||
|
initialState: new Array(NUM_SPECIES).fill(0.1),
|
||||||
|
...overrides,
|
||||||
|
};
|
||||||
|
}
|
||||||
|
|
||||||
|
// --------------- CSTR tests ---------------
|
||||||
|
|
||||||
|
describe('Reactor_CSTR', () => {
|
||||||
|
|
||||||
|
describe('constructor / initialization', () => {
|
||||||
|
it('should create an instance and set state from initialState', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
expect(r).toBeDefined();
|
||||||
|
expect(r.state).toEqual(new Array(NUM_SPECIES).fill(1.0));
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should initialize Fs and Cs_in arrays based on n_inlets', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig({ n_inlets: 3 }));
|
||||||
|
expect(r.Fs).toHaveLength(3);
|
||||||
|
expect(r.Cs_in).toHaveLength(3);
|
||||||
|
expect(r.Fs.every(v => v === 0)).toBe(true);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should store volume from config', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig({ volume: 500 }));
|
||||||
|
expect(r.volume).toBe(500);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should initialize temperature to 20', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
expect(r.temperature).toBe(20);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('_calcOTR()', () => {
|
||||||
|
let r;
|
||||||
|
beforeAll(() => { r = new Reactor_CSTR(makeCSTRConfig({ kla: 240 })); });
|
||||||
|
|
||||||
|
it('should return a positive value when S_O < saturation', () => {
|
||||||
|
const otr = r._calcOTR(0, 20);
|
||||||
|
expect(otr).toBeGreaterThan(0);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should return approximately zero when S_O equals saturation', () => {
|
||||||
|
// S_O_sat at T=20: 14.652 - 4.1022e-1*20 + 7.9910e-3*400 + 7.7774e-5*8000
|
||||||
|
const T = 20;
|
||||||
|
const S_O_sat = 14.652 - 4.1022e-1 * T + 7.9910e-3 * T * T + 7.7774e-5 * T * T * T;
|
||||||
|
const otr = r._calcOTR(S_O_sat, T);
|
||||||
|
expect(otr).toBeCloseTo(0, 5);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should return a negative value when S_O > saturation (supersaturated)', () => {
|
||||||
|
const otr = r._calcOTR(100, 20);
|
||||||
|
expect(otr).toBeLessThan(0);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should use T=20 as default temperature', () => {
|
||||||
|
const otr1 = r._calcOTR(0);
|
||||||
|
const otr2 = r._calcOTR(0, 20);
|
||||||
|
expect(otr1).toBe(otr2);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('_arrayClip2Zero()', () => {
|
||||||
|
let r;
|
||||||
|
beforeAll(() => { r = new Reactor_CSTR(makeCSTRConfig()); });
|
||||||
|
|
||||||
|
it('should clip negative values to zero', () => {
|
||||||
|
expect(r._arrayClip2Zero([-5, 3, -1, 0, 7])).toEqual([0, 3, 0, 0, 7]);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should leave all-positive arrays unchanged', () => {
|
||||||
|
expect(r._arrayClip2Zero([1, 2, 3])).toEqual([1, 2, 3]);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should handle nested arrays (2D)', () => {
|
||||||
|
const result = r._arrayClip2Zero([[-1, 2], [3, -4]]);
|
||||||
|
expect(result).toEqual([[0, 2], [3, 0]]);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should handle a single scalar', () => {
|
||||||
|
expect(r._arrayClip2Zero(-5)).toBe(0);
|
||||||
|
expect(r._arrayClip2Zero(5)).toBe(5);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('setInfluent / getEffluent', () => {
|
||||||
|
it('should store influent data via setter', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig({ n_inlets: 2 }));
|
||||||
|
const input = {
|
||||||
|
payload: {
|
||||||
|
inlet: 0,
|
||||||
|
F: 100,
|
||||||
|
C: new Array(NUM_SPECIES).fill(5),
|
||||||
|
},
|
||||||
|
};
|
||||||
|
r.setInfluent = input;
|
||||||
|
expect(r.Fs[0]).toBe(100);
|
||||||
|
expect(r.Cs_in[0]).toEqual(new Array(NUM_SPECIES).fill(5));
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should return effluent with the sum of Fs and the current state', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
r.Fs[0] = 50;
|
||||||
|
const eff = r.getEffluent;
|
||||||
|
expect(eff.topic).toBe('Fluent');
|
||||||
|
expect(eff.payload.F).toBe(50);
|
||||||
|
expect(eff.payload.C).toEqual(r.state);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('setOTR', () => {
|
||||||
|
it('should set the OTR value', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig({ kla: NaN }));
|
||||||
|
r.setOTR = { payload: 42 };
|
||||||
|
expect(r.OTR).toBe(42);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('tick()', () => {
|
||||||
|
it('should return a new state array of correct length', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
const result = r.tick(0.001);
|
||||||
|
expect(result).toHaveLength(NUM_SPECIES);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not produce NaN values', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
r.Fs[0] = 10;
|
||||||
|
r.Cs_in[0] = new Array(NUM_SPECIES).fill(5);
|
||||||
|
const result = r.tick(0.001);
|
||||||
|
result.forEach(v => expect(Number.isNaN(v)).toBe(false));
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not produce negative concentrations', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
// Run multiple ticks
|
||||||
|
for (let i = 0; i < 100; i++) {
|
||||||
|
r.tick(0.001);
|
||||||
|
}
|
||||||
|
r.state.forEach(v => expect(v).toBeGreaterThanOrEqual(0));
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should reach steady state with zero flow (concentrations change only via reaction)', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
// No inflow
|
||||||
|
const initial = [...r.state];
|
||||||
|
r.tick(0.0001);
|
||||||
|
// State should have changed due to reaction/OTR
|
||||||
|
const changed = r.state.some((v, i) => v !== initial[i]);
|
||||||
|
expect(changed).toBe(true);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('registerChild()', () => {
|
||||||
|
it('should not throw for "measurement" software type', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
// Passing null child will trigger warn but not crash
|
||||||
|
expect(() => r.registerChild(null, 'measurement')).not.toThrow();
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not throw for "reactor" software type', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
expect(() => r.registerChild(null, 'reactor')).not.toThrow();
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not throw for unknown software type', () => {
|
||||||
|
const r = new Reactor_CSTR(makeCSTRConfig());
|
||||||
|
expect(() => r.registerChild(null, 'unknown')).not.toThrow();
|
||||||
|
});
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
// --------------- PFR tests ---------------
|
||||||
|
|
||||||
|
describe('Reactor_PFR', () => {
|
||||||
|
|
||||||
|
describe('constructor / initialization', () => {
|
||||||
|
it('should create an instance with 2D state grid', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
expect(r).toBeDefined();
|
||||||
|
expect(r.state).toHaveLength(10); // resolution_L = 10
|
||||||
|
expect(r.state[0]).toHaveLength(NUM_SPECIES);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should compute d_x = length / n_x', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ length: 10, resolution_L: 5 }));
|
||||||
|
expect(r.d_x).toBe(2);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should compute cross-sectional area A = volume / length', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ volume: 200, length: 10 }));
|
||||||
|
expect(r.A).toBe(20);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should initialize D (dispersion) to 0', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
expect(r.D).toBe(0);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should create derivative operators of correct size', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ resolution_L: 8 }));
|
||||||
|
expect(r.D_op).toHaveLength(8);
|
||||||
|
expect(r.D_op[0]).toHaveLength(8);
|
||||||
|
expect(r.D2_op).toHaveLength(8);
|
||||||
|
expect(r.D2_op[0]).toHaveLength(8);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('setDispersion', () => {
|
||||||
|
it('should set the axial dispersion value', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
r.setDispersion = { payload: 0.5 };
|
||||||
|
expect(r.D).toBe(0.5);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('tick()', () => {
|
||||||
|
it('should return a 2D state grid of correct dimensions', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
r.D = 0.01;
|
||||||
|
const result = r.tick(0.0001);
|
||||||
|
expect(result).toHaveLength(10);
|
||||||
|
expect(result[0]).toHaveLength(NUM_SPECIES);
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not produce NaN values with small time step and dispersion', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
r.D = 0.01;
|
||||||
|
r.Fs[0] = 10;
|
||||||
|
r.Cs_in[0] = new Array(NUM_SPECIES).fill(5);
|
||||||
|
const result = r.tick(0.0001);
|
||||||
|
result.forEach(row => {
|
||||||
|
row.forEach(v => expect(Number.isNaN(v)).toBe(false));
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should not produce negative concentrations', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
r.D = 0.01;
|
||||||
|
for (let i = 0; i < 10; i++) {
|
||||||
|
r.tick(0.0001);
|
||||||
|
}
|
||||||
|
r.state.forEach(row => {
|
||||||
|
row.forEach(v => expect(v).toBeGreaterThanOrEqual(0));
|
||||||
|
});
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('_applyBoundaryConditions()', () => {
|
||||||
|
it('should apply Neumann BC at outlet (last = second to last)', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ resolution_L: 5 }));
|
||||||
|
const state = Array.from({ length: 5 }, () => new Array(NUM_SPECIES).fill(1));
|
||||||
|
state[3] = new Array(NUM_SPECIES).fill(7);
|
||||||
|
r._applyBoundaryConditions(state);
|
||||||
|
// outlet BC: state[4] = state[3]
|
||||||
|
expect(state[4]).toEqual(new Array(NUM_SPECIES).fill(7));
|
||||||
|
});
|
||||||
|
|
||||||
|
it('should apply Neumann BC at inlet when no flow', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ resolution_L: 5 }));
|
||||||
|
r.Fs[0] = 0;
|
||||||
|
const state = Array.from({ length: 5 }, () => new Array(NUM_SPECIES).fill(1));
|
||||||
|
state[1] = new Array(NUM_SPECIES).fill(3);
|
||||||
|
r._applyBoundaryConditions(state);
|
||||||
|
// No flow: state[0] = state[1]
|
||||||
|
expect(state[0]).toEqual(new Array(NUM_SPECIES).fill(3));
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('_arrayClip2Zero() (inherited)', () => {
|
||||||
|
it('should clip 2D arrays correctly', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig());
|
||||||
|
const result = r._arrayClip2Zero([[-1, 2], [3, -4]]);
|
||||||
|
expect(result).toEqual([[0, 2], [3, 0]]);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
|
||||||
|
describe('_calcOTR() (inherited)', () => {
|
||||||
|
it('should work the same as in CSTR', () => {
|
||||||
|
const r = new Reactor_PFR(makePFRConfig({ kla: 240 }));
|
||||||
|
const otr = r._calcOTR(0, 20);
|
||||||
|
expect(otr).toBeGreaterThan(0);
|
||||||
|
});
|
||||||
|
});
|
||||||
|
});
|
||||||
Reference in New Issue
Block a user