From c5a9a2e6109d6bbaaa300ee945c6e6df503ddd23 Mon Sep 17 00:00:00 2001 From: "p.vanderwilt" Date: Thu, 5 Jun 2025 14:52:23 +0200 Subject: [PATCH] Implemented first five stoichiometric equations --- dependencies/asm3_class.js | 86 ++++++++++++++++++++++++++------------ 1 file changed, 59 insertions(+), 27 deletions(-) diff --git a/dependencies/asm3_class.js b/dependencies/asm3_class.js index 1b214db..c7aa16f 100644 --- a/dependencies/asm3_class.js +++ b/dependencies/asm3_class.js @@ -32,13 +32,17 @@ class ASM3 { stoi_params = { // Stoichiometric and composition parameters - f_S_I: 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] // Yields - 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_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_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_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_A: 0.24, // anoxic yield X_A per S_NO [g X_A g-1 NO3-N] + // Composition (COD via DoR) + 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] // Composition (nitrogen) 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] @@ -46,16 +50,40 @@ class ASM3 { 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] // Composition (TSS) - i_TS: 0.75, // TSS content X_I [g TS g-1 X_I] - i_TS: 0.75, // TSS content X_S [g TS g-1 X_S] - i_TS: 0.90, // TSS content X_H / X_A [g TS g-1 X_H / X_A] - i_TS: 0.60 // TSS content X_STO (PHB based) [g TS g-1 X_STO] + 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_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] + // Composition (charge) + 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] } - // 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 = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0] constructor(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 this.state = state; + this.stoi_matrix = this._initialise_stoi_matrix() + } + + _initialise_stoi_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 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 + stoi_matrix[0] = [0., f_SI, 1.-f_SI, (1.-f_SI)*i_NSS-f_SI*i_NSI+i_NXS, 0., 0., ((1.-f_SI)*i_NSS-f_SI*i_NSI+i_NXS)*i_cNH, 0., 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[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[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] = [-(1-f_XI), 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., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + stoi_matrix[7] = [0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + stoi_matrix[8] = [0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + stoi_matrix[9] = [0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + stoi_matrix[10] = [0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + stoi_matrix[11] = [0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0., 0.]; + + return _.zip(...stoi_matrix); // transpose matrix } _monod(c, K){ @@ -66,28 +94,32 @@ class ASM3 { return K / (K + c); } - compute_rates(state) { - const rates = new 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; + compute_rates() { + 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] = this.state; + const { k_H, 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; // Hydrolysis - rates[0] = this.kin_params.k_H * this._monod(X_S / X_H, this.kin_params.K_X) * X_H; + rates[0] = k_H * this._monod(X_S / X_H, K_X) * X_H; // Heterotrophs - rates[1] = this.kin_params.k_STO * this._monod(S_O, this.kin_params.K_O) * this._monod(S_S, this.kin_params.K_S) * X_H; - rates[2] = this.kin_params.k_STO * this.kin_params.nu_NO * this._inv_monod(S_O, this.kin_params.K_O) * this._monod(S_NO, this.kin_params.K_NO) * this._monod(S_S, this.kin_params.K_S) * X_H; - rates[3] = this.kin_params.mu_H_max * this._monod(S_O, this.kin_params.K_O) * this._monod(S_NH, this.kin_params.K_NH) * this._monod(S_HCO, this.kin_params.K_HCO) * this._monod(X_STO/X_H, K_STO) * X_H; - rates[4] = this.kin_params.mu_H_max * this.kin_params.nu_NO * this._inv_monod(S_O, this.kin_params.K_O) * this._monod(S_NO, this.kin_params.NO) * this._monod(S_NH, this.kin_params.K_NH) * this._monod(S_HCO, this.kin_params.K_HCO) * this._monod(X_STO/X_H, this.kin_params.K_STO) * X_H; - rates[5] = this.kin_params.b_H_O * this._monod(S_O, this.kin_params.K_O) * X_H; - rates[6] = this.kin_params.b_H_NO * this._inv_monod(S_O, this.kin_params.K_O) * this._monod(S_NO, this.kin_params.K_NO) * X_H; - rates[7] = this.kin_params.b_STO_O * this._monod(S_O, this.kin_params.K_O) * X_H; - rates[8] = this.kin_params.b_STO_NO * this._inv_monod(S_O, this.kin_params.K_O) * this._monod(S_NO, this.kin_params.K_NO) * X_STO; + rates[1] = k_STO * this._monod(S_O, K_O) * this._monod(S_S, K_S) * X_H; + rates[2] = k_STO * 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] = mu_H_max * 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] = mu_H_max * 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] = b_H_O * this._monod(S_O, K_O) * X_H; + rates[6] = b_H_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_H; + rates[7] = b_STO_O * this._monod(S_O, K_O) * X_H; + rates[8] = b_STO_NO * this._inv_monod(S_O, K_O) * this._monod(S_NO, K_NO) * X_STO; // Autotrophs - rates[9] = this.kin_params.mu_A_max * this._monod(S_O, this.kin_params.K_A_O) * this._monod(S_NH, this.kin_params.K_A_NH) * this._monod(S_HCO, this.kin_params.K_A_HCO) * X_A; - rates[10] = this.kin_params.b_A_O * this._monod(S_O, this.kin_params.K_O) * X_A; - rates[11] = this.kin_params.b_A_NO * this._inv_monod(S_O, this.kin_params.K_A_O) * this._monod(S_NO, this.kin_params.K_NO) * X_A; + rates[9] = mu_A_max * 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] = b_A_O * this._monod(S_O, K_O) * X_A; + rates[11] = b_A_NO * this._inv_monod(S_O, K_A_O) * this._monod(S_NO, K_NO) * X_A; return rates; } -} \ No newline at end of file +} + +const asm3 = new ASM3([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]) +console.log(asm3.compute_rates()) \ No newline at end of file