263 lines
11 KiB
JavaScript
263 lines
11 KiB
JavaScript
const ASM3 = require('./asm3_class')
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const { create, all } = require('mathjs')
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const config = {
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matrix: 'Array' // choose 'Matrix' (default) or 'Array'
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}
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const math = create(all, config)
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class Reactor_CSTR {
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constructor(volume, n_inlets, kla, initial_state) {
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this.state = initial_state;
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this.asm = new ASM3();
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this.Vl = volume; // fluid volume reactor [m3]
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this.Fs = Array(n_inlets).fill(0.0); // fluid debits per inlet [m3 d-1]
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this.Cs_in = Array.from(Array(n_inlets), () => new Array(13).fill(0.0)); // composition influents
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this.OTR = 0.0; // oxygen transfer rate [g O2 d-1]
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this.kla = kla; // if NaN, use external OTR [d-1]
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this.currentTime = Date.now(); // milliseconds since epoch [ms]
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this.timeStep = 1/(24*60*15); // time step [d]
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this.speedUpFactor = 1;
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}
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set setInfluent(input) { // setter for C_in (WIP)
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let index_in = input.payload.inlet;
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this.Fs[index_in] = input.payload.F;
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this.Cs_in[index_in] = input.payload.C;
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}
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set setOTR(input) { // setter for OTR (WIP) [g O2 d-1]
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this.OTR = input.payload;
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}
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get getEffluent() { // getter for Effluent, defaults to inlet 0
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return {topic: "Fluent", payload: {inlet: 0, F: math.sum(this.Fs), C:this.state}, timestamp: this.currentTime};
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}
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calcOTR(S_O, T=20.0) { // caculate the OTR using basic correlation, default to temperature: 20 C
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let S_O_sat = 14.652 - 4.1022e-1*T + 7.9910e-3*T*T + 7.7774e-5*T*T*T;
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return this.kla * (S_O_sat - S_O);
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}
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// expect update with timestamp
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updateState(newTime) {
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const day2ms = 1000 * 60 * 60 * 24;
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let n_iter = Math.floor(this.speedUpFactor*(newTime - this.currentTime) / (this.timeStep * day2ms));
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if (n_iter) {
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let n = 0;
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while (n < n_iter) {
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this.tick_fe(this.timeStep);
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n += 1;
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}
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this.currentTime += n_iter * this.timeStep * day2ms / this.speedUpFactor;
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}
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}
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tick_fe(time_step) { // tick reactor state using forward Euler method
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const r = this.asm.compute_dC(this.state);
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const dC_in = math.multiply(math.divide([this.Fs], this.Vl), this.Cs_in)[0];
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const dC_out = math.multiply(-1*math.sum(this.Fs)/this.Vl, this.state);
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const t_O = Array(13).fill(0.0);
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t_O[0] = isNaN(this.kla) ? this.OTR : this.calcOTR(this.state[0]); // calculate OTR if kla is not NaN, otherwise use externaly calculated OTR
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const dC_total = math.multiply(math.add(dC_in, dC_out, r, t_O), time_step);
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// clip value element-wise to each subarray to avoid negative concentrations
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this.state = math.add(this.state, dC_total).map(val => val < 0 ? 0 : val);
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return this.state;
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}
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}
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class Reactor_PFR {
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constructor(volume, length, resolution_L, n_inlets, kla, initial_state) {
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this.asm = new ASM3();
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this.Vl = volume; // fluid volume reactor [m3]
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this.length = length; // reactor length [m]
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this.n_x = resolution_L; // number of slices
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this.d_x = length / resolution_L;
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this.A = volume / length; // crosssectional area [m2]
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this.state = Array.from(Array(this.n_x), () => initial_state.slice())
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// console.log("Initial State: ")
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// console.log(this.state)
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this.Fs = Array(n_inlets).fill(0.0); // fluid debits per inlet [m3 d-1]
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this.Cs_in = Array.from(Array(n_inlets), () => new Array(13).fill(0.0)); // composition influents
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this.OTR = 0.0; // oxygen transfer rate [g O2 d-1]
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this.D = 0.0; // axial dispersion [m2 d-1]
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this.kla = kla; // if NaN, use external OTR [d-1]
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this.currentTime = Date.now(); // milliseconds since epoch [ms]
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this.timeStep = 1/(24*60*15); // time step [d]
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this.speedUpFactor = 60;
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this.D_op = this.makeDoperator(true, true);
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this.D2_op = this.makeD2operator();
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}
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set setInfluent(input) { // setter for C_in (WIP)
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let index_in = input.payload.inlet;
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this.Fs[index_in] = input.payload.F;
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this.Cs_in[index_in] = input.payload.C;
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console.log("Pe total " + this.length*math.sum(this.Fs)/(this.D*this.A));
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console.log("Pe local " + this.d_x*math.sum(this.Fs)/(this.D*this.A));
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console.log("Co ad " + math.sum(this.Fs)*this.timeStep/(this.A*this.d_x));
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console.log("Co D " + this.D*this.timeStep/(this.d_x*this.d_x));
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}
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set setOTR(input) { // setter for OTR (WIP) [g O2 d-1]
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this.OTR = input.payload;
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}
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set setDispersion(input) { // setter for Axial dispersion [m2 d-1]
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this.D = input.payload;
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}
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get getEffluent() { // getter for Effluent, defaults to inlet 0
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return {topic: "Fluent", payload: {inlet: 0, F: math.sum(this.Fs), C:this.state.at(-1)}, timestamp: this.currentTime};
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}
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calcOTR(S_O, T=20.0) { // caculate the OTR using basic correlation, default to temperature: 20 C
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let S_O_sat = 14.652 - 4.1022e-1*T + 7.9910e-3*T*T + 7.7774e-5*T*T*T;
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return this.kla * (S_O_sat - S_O);
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}
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// expect update with timestamp
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updateState(newTime) {
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const day2ms = 1000 * 60 * 60 * 24;
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let n_iter = Math.floor(this.speedUpFactor*(newTime - this.currentTime) / (this.timeStep * day2ms));
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if (n_iter) {
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let n = 0;
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while (n < n_iter) {
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this.tick_fe(this.timeStep);
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n += 1;
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}
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this.currentTime += n_iter * this.timeStep * day2ms / this.speedUpFactor;
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}
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}
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tick_fe(time_step) { // tick reactor state using forward Euler method
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const dispersion = math.multiply(this.D / (this.d_x*this.d_x), this.D2_op, this.state);
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const advection = math.multiply(-1*math.sum(this.Fs)/(this.A*this.d_x), this.D_op, this.state);
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const reaction = this.state.map((state_slice) => this.asm.compute_dC(state_slice));
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const transfer = Array.from(Array(this.n_x), () => new Array(13).fill(0.0));
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if (dispersion.some(row => row.some(Number.isNaN))) {
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throw new Error("NaN detected in dispersion!");
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}
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if (advection.some(row => row.some(Number.isNaN))) {
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throw new Error("NaN detected in advection!");
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}
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if (reaction.some(row => row.some(Number.isNaN))) {
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throw new Error("NaN detected in reaction!");
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}
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if (isNaN(this.kla)) { // calculate OTR if kla is not NaN, otherwise use externally calculated OTR
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transfer.forEach((x) => { x[0] = this.OTR; });
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} else {
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transfer.forEach((x, i) => { x[0] = this.calcOTR(this.state[i][0]); });
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}
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const dC_total = math.multiply(math.add(dispersion, advection, reaction, transfer), time_step);
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const new_state = math.add(this.state, dC_total);
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if (new_state.some(row => row.some(Number.isNaN))) {
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throw new Error("NaN detected in new_state after dC_total update!");
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}
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// apply boundary conditions
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if (math.sum(this.Fs) > 0) { // Danckwerts BC
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const BC_C_in = math.multiply(1/math.sum(this.Fs), [this.Fs], this.Cs_in)[0];
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const BC_gradient = Array(this.n_x).fill(0.0);
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BC_gradient[0] = -1;
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BC_gradient[1] = 1;
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let Pe = this.length*math.sum(this.Fs)/(this.D*this.A)
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const BC_dispersion = math.multiply((1-(1+4*this.volume/math.sum(this.Fs)/Pe)^0.5)/Pe, [BC_gradient], new_state)[0];
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console.log(math.add(BC_C_in, BC_dispersion));
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new_state[0] = math.add(BC_C_in, BC_dispersion).map(val => val < 0 ? 0 : val);
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} else { // Neumann BC (no flux)
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new_state[0] = new_state[1];
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}
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// Neumann BC (no flux)
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new_state[this.n_x-1] = new_state[this.n_x-2]
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if (new_state.some(row => row.some(Number.isNaN))) {
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throw new Error("NaN detected in new_state after enforcing boundary conditions!");
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}
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this.state = new_state.map(row => row.map(val => val < 0 ? 0 : val)); // apply the new state
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return new_state;
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}
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makeDoperator(central=false, higher_order=false) { // create gradient operator
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if (higher_order) {
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if (central) {
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const I = math.resize(math.diag(Array(this.n_x).fill(1/12), -2), [this.n_x, this.n_x]);
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const A = math.resize(math.diag(Array(this.n_x).fill(-2/3), -1), [this.n_x, this.n_x]);
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const B = math.resize(math.diag(Array(this.n_x).fill(2/3), 1), [this.n_x, this.n_x]);
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const C = math.resize(math.diag(Array(this.n_x).fill(-1/12), 2), [this.n_x, this.n_x]);
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const D = math.add(I, A, B, C);
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const NearBoundary = Array(this.n_x).fill(0.0);
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NearBoundary[0] = -1/4;
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NearBoundary[1] = -5/6;
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NearBoundary[2] = 3/2;
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NearBoundary[3] = -1/2;
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NearBoundary[4] = 1/12;
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D[1] = NearBoundary;
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NearBoundary.reverse();
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D[this.n_x-2] = math.multiply(-1, NearBoundary);
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D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
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D[this.n_x-1] = Array(this.n_x).fill(0);
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return D;
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} else {
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throw new Error("Upwind higher order method not implemented! Use central scheme instead.");
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}
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} else {
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const I = math.resize(math.diag(Array(this.n_x).fill(1/(1+central)), central), [this.n_x, this.n_x]);
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const A = math.resize(math.diag(Array(this.n_x).fill(-1/(1+central)), -1), [this.n_x, this.n_x]);
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const D = math.add(I, A);
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D[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
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D[this.n_x-1] = Array(this.n_x).fill(0);
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return D;
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}
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}
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makeD2operator() { // create the central second derivative operator
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const I = math.diag(Array(this.n_x).fill(-2), 0);
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const A = math.resize(math.diag(Array(this.n_x).fill(1), 1), [this.n_x, this.n_x]);
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const B = math.resize(math.diag(Array(this.n_x).fill(1), -1), [this.n_x, this.n_x]);
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const D2 = math.add(I, A, B);
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D2[0] = Array(this.n_x).fill(0); // set by BCs elsewhere
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D2[this.n_x-1] = Array(this.n_x).fill(0);
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return D2;
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}
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}
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// testing stuff
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// 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
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// 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];
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// const Reactor = new Reactor_PFR(200, 10, 10, 1, 100, initial_state);
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// Reactor.Cs_in[0] = [0.0, 30., 100., 16., 0., 0., 5., 25., 75., 30., 0., 0., 125.];
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// Reactor.Fs[0] = 10;
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// Reactor.D = 0.01;
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// let N = 0;
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// while (N < 5000) {
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// console.log(Reactor.tick_fe(0.001));
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// N += 1;
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// }
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module.exports = { Reactor_CSTR, Reactor_PFR }; |