From 70531a3a597b6d68514b62f79621c5bc2ebb0933 Mon Sep 17 00:00:00 2001 From: "p.vanderwilt" Date: Mon, 23 Jun 2025 16:58:02 +0200 Subject: [PATCH] Add support for multiple reactor types (CSTR and PFR) with corresponding properties (Dichelet BC for now) --- advanced-reactor.html | 43 ++++++++++++- advanced-reactor.js | 74 ++++++++++++++++------- dependencies/reactor_class.js | 110 +++++++++++++++++++++++++++++++++- 3 files changed, 204 insertions(+), 23 deletions(-) diff --git a/advanced-reactor.html b/advanced-reactor.html index 73d66c2..5b4d41b 100644 --- a/advanced-reactor.html +++ b/advanced-reactor.html @@ -4,7 +4,10 @@ color: "#c4cce0", defaults: { name: { value: "" }, - volume: { value: 0., required: true}, + reactor_type: { value: "CSTR", required: true }, + volume: { value: 0., required: true }, + length: { value: 0.}, + resolution_L: { value: 0.}, n_inlets: { value: 1, required: true}, kla: { value: null }, S_O_init: { value: 0., required: true }, @@ -45,6 +48,32 @@ type:"num", types:["num"] }); + $("#node-input-reactor_type").typedInput({ + types: [ + { + value: "CSTR", + 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") { + $(".PFR").hide(); + } else { + $(".PFR").show(); + } + }); + // Set initial visibility on dialog open + const initialType = $("#node-input-reactor_type").typedInput("value"); + if (initialType === "CSTR") { + $(".PFR").hide(); + } else { + $(".PFR").show(); + } }, oneditsave: function() { let volume = parseFloat($("#node-input-volume").typedInput("value")); @@ -65,10 +94,22 @@

Reactor properties

+
+ + +
+
+ + +
+
+ + +
diff --git a/advanced-reactor.js b/advanced-reactor.js index edfad14..68e9674 100644 --- a/advanced-reactor.js +++ b/advanced-reactor.js @@ -7,26 +7,60 @@ module.exports = function(RED) { const Reactor = require('./dependencies/reactor_class'); - const reactor = new Reactor( - parseFloat(config.volume), - parseInt(config.n_inlets), - parseFloat(config.kla), - [ - parseFloat(config.S_O_init), - parseFloat(config.S_I_init), - parseFloat(config.S_S_init), - parseFloat(config.S_NH_init), - parseFloat(config.S_N2_init), - parseFloat(config.S_NO_init), - parseFloat(config.S_HCO_init), - parseFloat(config.X_I_init), - parseFloat(config.X_S_init), - parseFloat(config.X_H_init), - parseFloat(config.X_STO_init), - parseFloat(config.X_A_init), - parseFloat(config.X_TS_init) - ] - ); + let new_reactor; + + switch (config.reactor_type) { + case "CSTR": + new_reactor = new Reactor( + parseFloat(config.volume), + parseInt(config.n_inlets), + parseFloat(config.kla), + [ + parseFloat(config.S_O_init), + parseFloat(config.S_I_init), + parseFloat(config.S_S_init), + parseFloat(config.S_NH_init), + parseFloat(config.S_N2_init), + parseFloat(config.S_NO_init), + parseFloat(config.S_HCO_init), + parseFloat(config.X_I_init), + parseFloat(config.X_S_init), + parseFloat(config.X_H_init), + parseFloat(config.X_STO_init), + parseFloat(config.X_A_init), + parseFloat(config.X_TS_init) + ] + ); + break; + case "PFR": + new_reactor = new Reactor( + parseFloat(config.volume), + parseFloat(config.L), + parseInt(config.resolution_L), + parseInt(config.n_inlets), + parseFloat(config.kla), + [ + parseFloat(config.S_O_init), + parseFloat(config.S_I_init), + parseFloat(config.S_S_init), + parseFloat(config.S_NH_init), + parseFloat(config.S_N2_init), + parseFloat(config.S_NO_init), + parseFloat(config.S_HCO_init), + parseFloat(config.X_I_init), + parseFloat(config.X_S_init), + parseFloat(config.X_H_init), + parseFloat(config.X_STO_init), + parseFloat(config.X_A_init), + parseFloat(config.X_TS_init) + ] + ); + break; + default: + console.warn("Unknown reactor type: " + config.reactor_type); + } + + const reactor = new_reactor; // protect from reassignment node.on('input', function(msg, send, done) { let toggleUpdate = false; diff --git a/dependencies/reactor_class.js b/dependencies/reactor_class.js index 1b2e3d9..aa7f9dd 100644 --- a/dependencies/reactor_class.js +++ b/dependencies/reactor_class.js @@ -5,7 +5,6 @@ class Reactor_CSTR { constructor(volume, n_inlets, kla, initial_state) { this.state = initial_state; - console.log(this.state); this.asm = new ASM3(); this.Vl = volume; // fluid volume reactor [m3] @@ -17,7 +16,7 @@ class Reactor_CSTR { this.currentTime = Date.now(); // milliseconds since epoch [ms] this.timeStep = 1/(24*60*15); // time step [d] - this.speedUpFactor = 30; + this.speedUpFactor = 1; } set setInfluent(input) { // setter for C_in (WIP) @@ -69,6 +68,113 @@ class Reactor_CSTR { } } +class Reactor_PFR { + + constructor(volume, length, resolution_L, n_inlets, kla, initial_state) { + this.asm = new ASM3(); + + this.Vl = volume; // fluid volume reactor [m3] + this.length = length; // reactor length [m] + this.n_x = resolution_L; // number of slices + this.d_x = length / resolution_L; + + this.A = volume / length; // crosssectional area [m2] + + this.state = Array.from(Array(this.n_x), () => initial_state.slice()) + + this.Fs = Array(n_inlets).fill(0.0); // fluid debits per inlet [m3 d-1] + this.Cs_in = Array.from(Array(n_inlets), () => new Array(13).fill(0.0)); // composition influents + this.OTR = 0.0; // oxygen transfer rate [g O2 d-1] + this.D = 0.0; // axial dispersion [m2 d-1] + + this.kla = kla; // if NaN, use external OTR [d-1] + + this.currentTime = Date.now(); // milliseconds since epoch [ms] + this.timeStep = 1/(24*60*15); // time step [d] + this.speedUpFactor = 1; + + this.D_op = makeDoperator(); + this.D2_op = makeD2operator(); + } + + set setInfluent(input) { // setter for C_in (WIP) + let index_in = input.payload.inlet; + this.Fs[index_in] = input.payload.F; + this.Cs_in[index_in] = input.payload.C; + } + + set setOTR(input) { // setter for OTR (WIP) [g O2 d-1] + this.OTR = input.payload; + } + + set setDispersion(input) { // setter for Axial dispersion [m2 d-1] + this.D = input.payload; + } + + get getEffluent() { // getter for Effluent, defaults to inlet 0 + return {topic: "Fluent", payload: {inlet: 0, F: math.sum(this.Fs), C:this.state}, timestamp: this.currentTime}; + } + + 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; + return this.kla * (S_O_sat - S_O); + } + + // expect update with timestamp + updateState(newTime) { + + const day2ms = 1000 * 60 * 60 * 24; + + let n_iter = Math.floor(this.speedUpFactor*(newTime - this.currentTime) / (this.timeStep * day2ms)); + if (n_iter) { + let n = 0; + while (n < n_iter) { + this.tick_fe(this.timeStep); + n += 1; + } + this.currentTime += n_iter * this.timeStep * day2ms / this.speedUpFactor; + } + } + + tick_fe(time_step) { // tick reactor state using forward Euler method + if (math.sum(this.Fs) > 0) { + this.state[0] = math.multiply(math.divide([this.Fs], this.A), this.Cs_in)[0] // Dichelet boundary condition + } + + const dispersion = math.multiply(this.D / (this.d_x*this.d_x), this.D2_op, this.state); + const advection = math.multiply(math.sum(this.Fs)/(this.A*this.d_x), this.D_op, this.state); + const reaction = this.state.map(this.asm.compute_dC); + const transfer = Array.from(Array(this.n_x), () => new Array(13).fill(0.0)) + + if (isNaN(this.kla)) { // calculate OTR if kla is not NaN, otherwise use externally calculated OTR + transfer.forEach((x) => { x[0] = this.OTR; }); + } else { + transfer.forEach((x, i) => { x[0] = this.calcOTR(this.state[i][0]); }); + } + + const dC_total = math.multiply(math.add(dispersion, advection, reaction, transfer), time_step); + + this.state = math.abs(math.add(this.state, dC_total)); // make sure that concentrations do not go negative + return this.state; + } + + makeDoperator() { // create the upwind scheme gradient operator + const I = math.identity(this.n_x); + const A = math.diag(Array(this.n_x).fill(-1), 1).resize([this.n_x, this.n_x]); + I[this.n_x-1, this.n_x-1] = 0; // Neumann boundary condition at x=L + return math.add(I, A); + } + + makeD2operator() { // create the upwind scheme second derivative operator + const I = math.diag(Array(this.n_x).fill(2), 0); + const A = math.diag(Array(this.n_x).fill(-1), 1).resize([this.n_x, this.n_x]); + const B = math.diag(Array(this.n_x).fill(-1), -1).resize([this.n_x, this.n_x]); + I[0, 0] = 1; + return math.add(I, A, B); + } +} + + // testing stuff // 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];