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Gas fermentation (chemolithoautotroph) simulation

2 inlets (gas feed H2/O2/CO2 + liquid medium) -> off-gas, biomass broth

Governing equations

The exact equations the solver works for a gas fermentation (chemolithoautotroph) — the same math shown in the app's "Theory" panel, not a black box.

Ci=piHi,n˙transfer=kLa(CC)V(C0: mass-transfer-limited operation)C^*_i = \frac{p_i}{H_i},\qquad \dot n_{transfer} = k_L a\,(C^* - C)\,V\quad(C \approx 0 \text{: mass-transfer-limited operation})
fs+fe=1(McCarty electron split: synthesis vs. energy)f_s + f_e = 1\quad(\text{McCarty electron split: synthesis vs. energy})
n˙H2=min ⁣(kLaCV, n˙H2,gas, n˙O2rO2, n˙CO2rCO2)(genuine limiting-reagent solve)\dot n_{H_2} = \min\!\left(k_L a\,C^*V,\ \dot n_{H_2,gas},\ \frac{\dot n_{O_2}}{r_{O_2}},\ \frac{\dot n_{CO_2}}{r_{CO_2}}\right)\quad(\text{genuine limiting-reagent solve})
n˙j=rj(fs)n˙H2(biomass, O2, CO2, water from the half-reaction stoichiometry)\dot n_j = r_j(f_s)\,\dot n_{H_2}\quad(\text{biomass, O}_2\text{, CO}_2\text{, water from the half-reaction stoichiometry})
CiC^*_i
saturation (Henry's-law) dissolved concentration of gas i [mol/m³]
CC
actual dissolved concentration — taken ≈0, the mass-transfer-limited regime a gas fermenter is designed for
pip_i
partial pressure of i in the gas feed [Pa]
HiH_i
Henry's constant [Pa·m³/mol] — why a poorly-soluble gas like H₂ is the bottleneck
kLak_L a
volumetric gas-liquid mass-transfer coefficient [1/s]
VV
liquid working volume [m³]
fsf_s
electrons routed to cell synthesis [0..1] (McCarty)
fef_e
electrons routed to energy generation — the two must sum to 1
rjr_j
stoichiometric ratio of species j to H₂ at this f_s
n˙\dot n
molar flow [mol/s]

Parameters

volume [m^3], kla_1_s [1/s, volumetric gas-liquid mass-transfer coefficient], henry_constant_pa_m3_mol [H2 Henry's-law constant], fs [(0,1], fraction of donor electron equivalents routed to biosynthesis]; optional biomass [default 'biomass']. Inlets: [gas feed with h2/oxygen/co2, liquid medium]. Outlets in order: gas (off-gas), broth (liquid + biomass)

Example flowsheets that use it

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