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adm1init_bsm2

This file initiates parameter values and sets initial conditions for the model implementation of adm1_bsm2.py.

Note that some of the parameter values deviate from the values given in the ADM1-STR (Batstone et al., 2002). The state values are based on BSM2 technical report.

S_SU

S_SU = 0.0124

Monosaccharides [kg(COD) ⋅ m⁻³].

S_AA

S_AA = 0.0055

Amino acids [kg(COD) ⋅ m⁻³].

S_FA

S_FA = 0.1074

Long chain fatty acids (LCFA) [kg(COD) ⋅ m⁻³].

S_VA

S_VA = 0.0123

Total valerate [kg(COD) ⋅ m⁻³].

S_BU

S_BU = 0.014

Total butyrate [kg(COD) ⋅ m⁻³].

S_PRO

S_PRO = 0.0176

Total propionate [kg(COD) ⋅ m⁻³].

S_AC

S_AC = 0.0893

Total acetate [kg(COD) ⋅ m⁻³].

S_H2

S_H2 = 2.5055e-07

Hydrogen gas [kg(COD) ⋅ m⁻³].

S_CH4

S_CH4 = 0.0555

Methane gas [kg(COD) ⋅ m⁻³].

S_IC

S_IC = 0.0951

Inorganic carbon [kmol(C) ⋅ m⁻³].

S_IN

S_IN = 0.0945

Inorganic nitrogen [kmol(N) ⋅ m⁻³].

S_I

S_I = 0.1309

Soluble inerts [kg(COD) ⋅ m⁻³].

X_XC

X_XC = 0.1079

Composites [kg(COD) ⋅ m⁻³].

X_CH

X_CH = 0.0205

Carbohydrates [kg(COD) ⋅ m⁻³].

X_PR

X_PR = 0.0842

Proteins [kg(COD) ⋅ m⁻³].

X_LI

X_LI = 0.0436

Lipids [kg(COD) ⋅ m⁻³].

X_SU

X_SU = 0.3122

Sugar degraders [kg(COD) ⋅ m⁻³].

X_AA

X_AA = 0.9317

Amino acid degraders [kg(COD) ⋅ m⁻³].

X_FA

X_FA = 0.3384

LCFA degraders [kg(COD) ⋅ m⁻³].

X_C4

X_C4 = 0.3258

Valerate and butyrate degraders [kg(COD) ⋅ m⁻³].

X_PRO

X_PRO = 0.1011

Propionate degraders [kg(COD) ⋅ m⁻³].

X_AC

X_AC = 0.6772

Acetate degraders [kg(COD) ⋅ m⁻³].

X_H2

X_H2 = 0.2848

Hydrogen degraders [kg(COD) ⋅ m⁻³].

X_I

X_I = 17.2162

Particulate inerts [kg(COD) ⋅ m⁻³].

S_CAT

S_CAT = 3.5659e-43

Cations (metallic ions, strong base) [kmol ⋅ m⁻³].

S_AN

S_AN = 0.0052

Anions (metallic ions, strong acid) [kmol ⋅ m⁻³].

S_HVA

S_HVA = 0.0123

Is actually valeric acid S_va⁻ [kg(COD) ⋅ m⁻³].

S_HBU

S_HBU = 0.014

Is actually butyric acid S_bu⁻ [kg(COD) ⋅ m⁻³].

S_HPRO

S_HPRO = 0.0175

Is actually propanoic acid S_pro⁻ [kg(COD) ⋅ m⁻³].

S_HAC

S_HAC = 0.089

Is actually acetic acid S_ac⁻ [kg(COD) ⋅ m⁻³].

S_HCO3

S_HCO3 = 0.0857

Carbonate [kg(COD) ⋅ m⁻³].

S_NH3

S_NH3 = 0.0019

Ammonia [kg(COD) ⋅ m⁻³].

S_GAS_H2

S_GAS_H2 = 1.1032e-05

Hydrogen gas (gaseous) [kg(COD) ⋅ m⁻³].

S_GAS_CH4

S_GAS_CH4 = 1.6535

Methane gas (gaseous) [kg(COD) ⋅ m⁻³].

S_GAS_CO2

S_GAS_CO2 = 0.0135

Carbon dioxide (gaseous) [kg(COD) ⋅ m⁻³].

Q_D

Q_D = 178.4674

Influent flow rate [m³ ⋅ d⁻¹].

T_D

T_D = 35

Temperature [°C].

S_D1_D

S_D1_D = 0

Dummy state 1 [-].

S_D2_D

S_D2_D = 0

Dummy state 2 [-].

S_D3_D

S_D3_D = 0

Dummy state 3 [-].

X_D4_D

X_D4_D = 0

Dummy state 4 [-].

X_D5_D

X_D5_D = 0

Dummy state 5 [-].

S_H_ION

S_H_ION = 5.4562e-08

Hydrogen ion [kg(COD) ⋅ m⁻³].

DIGESTERINIT

DIGESTERINIT = array([S_SU, S_AA, S_FA, S_VA, S_BU, S_PRO, S_AC, S_H2, S_CH4, S_IC, S_IN, S_I, X_XC, X_CH, X_PR, X_LI, X_SU, X_AA, X_FA, X_C4, X_PRO, X_AC, X_H2, X_I, S_CAT, S_AN, S_HVA, S_HBU, S_HPRO, S_HAC, S_HCO3, S_NH3, S_GAS_H2, S_GAS_CH4, S_GAS_CO2, Q_D, T_D, S_D1_D, S_D2_D, S_D3_D, X_D4_D, X_D5_D])

Initial values for ADM1 differential equations.

PHSOLVINIT

PHSOLVINIT = ones(7)

Initial concentrations of 7 components for pH solver.

[S_H_ION, S_HVA, S_HBU, S_HPRO, S_HAC, S_HCO3, S_NH3]

SH2SOLVINIT

SH2SOLVINIT = 0

Initial concentration of S_H₂.

F_SI_XC

F_SI_XC = 0.1

Fraction of composites to S_I by disintegration [-].

F_XI_XC

F_XI_XC = 0.2

Fraction of composites to X_I by disintegration [-].

F_CH_XC

F_CH_XC = 0.2

Fraction of composites to X_CH by disintegration [-].

F_PR_XC

F_PR_XC = 0.2

Fraction of composites to X_PR by disintegration [-].

F_LI_XC

F_LI_XC = 0.3

Fraction of composites to X_LI by disintegration [-].

N_XC

N_XC = 0.0376 / 14.0

Nitrogen content of composites X_C [kmol(N) ⋅ kg(COD)⁻¹].

N_I

N_I = 0.06 / 14.0

Nitrogen content of inerts S_I_ and X_I [kmol(N) ⋅ kg(COD)⁻¹].

N_AA

N_AA = 0.007

Nitrogen content of S_AA [kmol(N) ⋅ kg(COD)⁻¹].

C_XC

C_XC = 0.02786

Carbon content of X_C [kmol(C) ⋅ kg(COD)⁻¹].

C_SI

C_SI = 0.03

Carbon content of S_I [kmol(C) ⋅ kg(COD)⁻¹].

C_CH

C_CH = 0.0313

Carbon content of S_CH [kmol(C) ⋅ kg(COD)⁻¹].

C_PR

C_PR = 0.03

Carbon content of S_PR [kmol(C) ⋅ kg(COD)⁻¹].

C_LI

C_LI = 0.022

Carbon content of S_LI [kmol(C) ⋅ kg(COD)⁻¹].

C_XI

C_XI = 0.03

Carbon content of X_I [kmol(C) ⋅ kg(COD)⁻¹].

C_SU

C_SU = 0.0313

Carbon content of S_SU [kmol(C) ⋅ kg(COD)⁻¹].

C_AA

C_AA = 0.03

Carbon content of S_AA [kmol(C) ⋅ kg(COD)⁻¹].

F_FA_LI

F_FA_LI = 0.95

Yield (catabolism only) of S_FA on X_LI [-].

C_FA

C_FA = 0.0217

Carbon content of S_FA [kmol(C) ⋅ kg(COD)⁻¹].

F_H2_SU

F_H2_SU = 0.19

Yield (catabolism only) of S_H2 on S_SU [-].

F_BU_SU

F_BU_SU = 0.13

Yield (catabolism only) of S_BU on S_SU [-].

F_PRO_SU

F_PRO_SU = 0.27

Yield (catabolism only) of S_PRO on S_SU [-].

F_AC_SU

F_AC_SU = 0.41

Yield (catabolism only) of S_AC on S_SU [-].

N_BAC

N_BAC = 0.08 / 14.0

Nitrogen content of biomass [kmol(N) ⋅ kg(COD)⁻¹].

C_BU

C_BU = 0.025

Carbon content of S_BU [kmol(C) ⋅ kg(COD)⁻¹].

C_PRO

C_PRO = 0.0268

Carbon content of S_PRO [kmol(C) ⋅ kg(COD)⁻¹].

C_AC

C_AC = 0.0313

Carbon content of S_AC [kmol(C) ⋅ kg(COD)⁻¹].

C_BAC

C_BAC = 0.0313

Carbon content of biomass [kmol(C) ⋅ kg(COD)⁻¹].

Y_SU

Y_SU = 0.1

Yield of biomass, sugar degraders [-].

F_H2_AA

F_H2_AA = 0.06

Yield (catabolism only) of S_H2 on S_AA [-].

F_VA_AA

F_VA_AA = 0.23

Yield (catabolism only) of S_VA on S_AA [-].

F_BU_AA

F_BU_AA = 0.26

Yield (catabolism only) of S_BU on S_AA [-].

F_PRO_AA

F_PRO_AA = 0.05

Yield (catabolism only) of S_PRO on S_AA [-].

F_AC_AA

F_AC_AA = 0.4

Yield (catabolism only) of S_AC on S_AA [-].

C_VA

C_VA = 0.024

Carbon content of S_VA [kmol(C) ⋅ kg(COD)⁻¹].

Y_AA

Y_AA = 0.08

Yield of biomass, amino acid degraders [-].

Y_FA

Y_FA = 0.06

Yield of biomass, long chain fatty acid degraders [-].

Y_C4

Y_C4 = 0.06

Yield of biomass, valerate and butyrate degraders [-].

Y_PRO

Y_PRO = 0.04

Yield of biomass, propionate degraders [-].

C_CH4

C_CH4 = 0.0156

Carbon content of S_CH4 [kmol(C) ⋅ kg(COD)⁻¹].

Y_AC

Y_AC = 0.05

Yield of biomass, acetate degraders [-].

Y_H2

Y_H2 = 0.06

Yield of biomass, hydrogen degraders [-].

K_DIS

K_DIS = 0.5

Disintegration rate [d⁻¹].

K_HYD_CH

K_HYD_CH = 10.0

Hydrolysis rate of X_CH [d⁻¹].

K_HYD_PR

K_HYD_PR = 10.0

Hydrolysis rate of X_PR [d⁻¹].

K_HYD_LI

K_HYD_LI = 10.0

Hydrolysis rate of X_LI [d⁻¹].

K_S_IN

K_S_IN = 0.0001

Inhibition parameter for inorganic nitrogen [kmol(N) ⋅ m⁻³].

K_M_SU

K_M_SU = 30.0

Monod maximum specific uptake rate for uptake of sugars [d⁻¹].

K_S_SU

K_S_SU = 0.5

Half saturation value for uptake of sugars [kg(COD) ⋅ m⁻³].

PH_UL_AA

PH_UL_AA = 5.5

Upper limit of pH for uptake rate of amino acids [-].

PH_LL_AA

PH_LL_AA = 4.0

Lower limit of pH for uptake rate of amino acids [-].

K_M_AA

K_M_AA = 50.0

Monod maximum specific uptake rate for uptake of amino acids [d⁻¹].

K_S_AA

K_S_AA = 0.3

Half saturation value for uptake of amino acids [kg(COD) ⋅ m⁻³].

K_M_FA

K_M_FA = 6.0

Monod maximum specific uptake rate for uptake of LCFA [d⁻¹].

K_S_FA

K_S_FA = 0.4

Half saturation value for uptake of LCFA [kg(COD) ⋅ m⁻³].

K_IH2_FA

K_IH2_FA = 5e-06

50% inhibitory concentration of H₂ on LCFA uptake [kg(COD) ⋅ m⁻³].

K_M_C4

K_M_C4 = 20.0

Monod maximum specific uptake rate for uptake of valerate and butyrate [d⁻¹].

K_S_C4

K_S_C4 = 0.2

Half saturation value for uptake of valerate and butyrate [kg(COD) ⋅ m⁻³].

K_IH2_C4

K_IH2_C4 = 1e-05

50% inhibitory concentration of H₂ on valerate and butyrate uptake [kg(COD) ⋅ m⁻³].

K_M_PRO

K_M_PRO = 13.0

Monod maximum specific uptake rate for uptake of propionate [d⁻¹].

K_S_PRO

K_S_PRO = 0.1

Half saturation value for uptake of propionate [kg(COD) ⋅ m⁻³].

K_IH2_PRO

K_IH2_PRO = 3.5e-06

50% inhibitory concentration of H₂ on propionate uptake [kg(COD) ⋅ m⁻³].

K_M_AC

K_M_AC = 8.0

Monod maximum specific uptake rate for uptake of acetate [d⁻¹].

K_S_AC

K_S_AC = 0.15

Half saturation value for uptake of acetate [kg(COD) ⋅ m⁻³].

K_I_NH3

K_I_NH3 = 0.0018

50% inhibitory concentration of NH₃ on acetate uptake [kg(COD) ⋅ m⁻³].

PH_UL_AC

PH_UL_AC = 7.0

Upper limit of pH for uptake rate of acetate [-].

PH_LL_AC

PH_LL_AC = 6.0

Lower limit of pH for uptake rate of acetate [-].

K_M_H2

K_M_H2 = 35.0

Monod maximum specific uptake rate for uptake of hydrogen [d⁻¹].

K_S_H2

K_S_H2 = 7e-06

Half saturation value for uptake of hydrogen [kg(COD) ⋅ m⁻³].

PH_UL_H2

PH_UL_H2 = 6.0

Upper limit of pH for uptake rate of hydrogen [-].

PH_LL_H2

PH_LL_H2 = 5.0

Lower limit of pH for uptake rate of hydrogen [-].

K_DEC_XSU

K_DEC_XSU = 0.02

Decay rate of X_SU [d⁻¹].

K_DEC_XAA

K_DEC_XAA = 0.02

Decay rate of X_AA [d⁻¹].

K_DEC_XFA

K_DEC_XFA = 0.02

Decay rate of X_FA [d⁻¹].

K_DEC_XC4

K_DEC_XC4 = 0.02

Decay rate of X_C4 [d⁻¹].

K_DEC_XPRO

K_DEC_XPRO = 0.02

Decay rate of X_PRO [d⁻¹].

K_DEC_XAC

K_DEC_XAC = 0.02

Decay rate of X_AC [d⁻¹].

K_DEC_XH2

K_DEC_XH2 = 0.02

Decay rate of X_H2 [d⁻¹].

R

R = 0.083145

Universal gas constant [dm³ ⋅ bar ⋅ (mol ⋅ K)⁻¹] = 8.3145 [J ⋅ (mol ⋅ K)⁻¹].

T_BASE

T_BASE = 298.15

Base temperature (=25°C) [K].

t_op

t_op = 308.15

Operational temperature of anaerobic digester and interfaces (=35°C) [K].

PK_W_BASE

PK_W_BASE = 14.0

Parameter for calculation of K_W [-].

PK_A_VA_BASE

PK_A_VA_BASE = 4.86

Acid-base equilibrium constant for valerate [kmol ⋅ m⁻³].

PK_A_BU_BASE

PK_A_BU_BASE = 4.82

Acid-base equilibrium constant for butyrate [kmol ⋅ m⁻³].

PK_A_PRO_BASE

PK_A_PRO_BASE = 4.88

Acid-base equilibrium constant for propionate [kmol ⋅ m⁻³].

PK_A_AC_BASE

PK_A_AC_BASE = 4.76

Acid-base equilibrium constant for acetate [kmol ⋅ m⁻³].

PK_A_CO2_BASE

PK_A_CO2_BASE = 6.35

Acid-base equilibrium constant for inorganic carbon [kmol ⋅ m⁻³].

PK_A_IN_BASE

PK_A_IN_BASE = 9.25

Acid-base equilibrium constant for inorganic nitrogen [kmol ⋅ m⁻³].

K_A_BVA

K_A_BVA = 10000000000.0

Acid-base kinetic parameter for valerate [m³ ⋅ (kmol ⋅ d)⁻¹].

K_A_BBU

K_A_BBU = 10000000000.0

Acid-base kinetic parameter for butyrate [m³ ⋅ (kmol ⋅ d)⁻¹].

K_A_BPRO

K_A_BPRO = 10000000000.0

Acid-base kinetic parameter for propionate [m³ ⋅ (kmol ⋅ d)⁻¹].

K_A_BAC

K_A_BAC = 10000000000.0

Acid-base kinetic parameter for acetate [m³ ⋅ (kmol ⋅ d)⁻¹].

K_A_BCO2

K_A_BCO2 = 10000000000.0

Acid-base kinetic parameter for inorganic carbon [m³ ⋅ (kmol ⋅ d)⁻¹].

K_A_BIN

K_A_BIN = 10000000000.0

Acid-base kinetic parameter for inorganic nitrogen [m³ ⋅ (kmol ⋅ d)⁻¹].

P_ATM

P_ATM = 1.013

Atmospheric pressure [bar].

K_LA

K_LA = 200.0

Transfer coefficient for gases [d⁻¹].

K_H_H2O_BASE

K_H_H2O_BASE = 0.0313

Henry's law coefficient for water vapor [kmol ⋅ m⁻³ ⋅ bar⁻¹].

K_H_CO2_BASE

K_H_CO2_BASE = 0.035

Henry's law coefficient for carbon dioxide [kmol ⋅ m⁻³ ⋅ bar⁻¹].

K_H_CH4_BASE

K_H_CH4_BASE = 0.0014

Henry's law coefficient for methane [kmol ⋅ m⁻³ ⋅ bar⁻¹].

K_H_H2_BASE

K_H_H2_BASE = 0.00078

Henry's law coefficient for hydrogen [kmol ⋅ m⁻³ ⋅ bar⁻¹].

K_P

K_P = 50000.0

Compensation factor for overpressure in the head space of the ADM [m³ ⋅ (bar ⋅ d)⁻¹].

Must be adjusted if physical or operational conditions (volume, load etc.) of the ADM are changed.

DIGESTERPAR

DIGESTERPAR = array([F_SI_XC, F_XI_XC, F_CH_XC, F_PR_XC, F_LI_XC, N_XC, N_I, N_AA, C_XC, C_SI, C_CH, C_PR, C_LI, C_XI, C_SU, C_AA, F_FA_LI, C_FA, F_H2_SU, F_BU_SU, F_PRO_SU, F_AC_SU, N_BAC, C_BU, C_PRO, C_AC, C_BAC, Y_SU, F_H2_AA, F_VA_AA, F_BU_AA, F_PRO_AA, F_AC_AA, C_VA, Y_AA, Y_FA, Y_C4, Y_PRO, C_CH4, Y_AC, Y_H2, K_DIS, K_HYD_CH, K_HYD_PR, K_HYD_LI, K_S_IN, K_M_SU, K_S_SU, PH_UL_AA, PH_LL_AA, K_M_AA, K_S_AA, K_M_FA, K_S_FA, K_IH2_FA, K_M_C4, K_S_C4, K_IH2_C4, K_M_PRO, K_S_PRO, K_IH2_PRO, K_M_AC, K_S_AC, K_I_NH3, PH_UL_AC, PH_LL_AC, K_M_H2, K_S_H2, PH_UL_H2, PH_LL_H2, K_DEC_XSU, K_DEC_XAA, K_DEC_XFA, K_DEC_XC4, K_DEC_XPRO, K_DEC_XAC, K_DEC_XH2, R, T_BASE, t_op, PK_W_BASE, PK_A_VA_BASE, PK_A_BU_BASE, PK_A_PRO_BASE, PK_A_AC_BASE, PK_A_CO2_BASE, PK_A_IN_BASE, K_A_BVA, K_A_BBU, K_A_BPRO, K_A_BAC, K_A_BCO2, K_A_BIN, P_ATM, K_LA, K_H_H2O_BASE, K_H_CO2_BASE, K_H_CH4_BASE, K_H_H2_BASE, K_P])

Digester parameters.

V_LIQ

V_LIQ = 3400

Liquid volume of anaerobic digestor [m³].

V_GAS

V_GAS = 300

Gas volume of anaerobic digestor [m³].

DIM_D

DIM_D = array([V_LIQ, V_GAS])

Reactor dimensions of the anaerobic digestor [m³].

COD_EQUIV

COD_EQUIV = 40.0 / 14.0

COD equivalent of nitrate and nitrite nitrogen [g(O₂) ⋅ g(N)⁻¹].

FNAA

FNAA = N_AA * 14.0

Fraction of N in amino acids and X_pr as in ADM1 report [-].

FNXC

FNXC = N_XC * 14.0

N content of composite material based on BSM2 [-].

FNBAC

FNBAC = N_BAC * 14.0

N content of biomass based on BSM1, same in AS and AD [-].

FXNI

FXNI = N_I * 14.0

N content of inerts X_I and X_P, same in AS and AD.

FSNI

FSNI = 0.0

"N content of S_I, assumed zero in ASM1 and BSM1.

FSNI_ADM

FSNI_ADM = N_I * 14.0

N content of S_I in the AD system.

FRLIXS

FRLIXS = 0.7

Lipid fraction of non-nitrogenous X_S in BSM2.

FRLIBAC

FRLIBAC = 0.4

Lipid fraction of non-nitrogenous biomass in BSM2.

FRXS_ADM

FRXS_ADM = 0.68

Anaerobically degradable fraction of AS biomass in BSM2.

FDEGRADE_ADM

FDEGRADE_ADM = 0

Amount of AS X_I and X_P degradable in AD, zero in BSM2.

FRXS_AS

FRXS_AS = 0.79

Aerobically degradable fraction of AD biomass in BSM2.

FDEGRADE_AS

FDEGRADE_AS = 0

Amount of AD X_I and X_P degradable in AS, zero in BSM2.

PH_ADM_INIT

PH_ADM_INIT = 7.0

Initial value of pH in ADM to be used by interfaces for the first sample.

INTERFACEPAR

INTERFACEPAR = array([COD_EQUIV, FNAA, FNXC, FNBAC, FXNI, FSNI, FSNI_ADM, FRLIXS, FRLIBAC, FRXS_ADM, FDEGRADE_ADM, FRXS_AS, FDEGRADE_AS, R, T_BASE, t_op, PK_W_BASE, PK_A_VA_BASE, PK_A_BU_BASE, PK_A_PRO_BASE, PK_A_AC_BASE, PK_A_CO2_BASE, PK_A_IN_BASE])

Interface parameters needed for ASM2ADM and ADM2ASM interfaces.

PHINIT

PHINIT = PH_ADM_INIT

Initial value of pH in ADM.

PHTIMECONST

PHTIMECONST = 0.01

Time constant for pH function.