methanogenesis.DIC: Steps through DIC consumption during a methanogenesis...

In hoehler-labgroup/methanogenlab: Methanogenesis Model

Steps through DIC consumption during a methanogenesis reaction

Description

'methanogenesis.DIC()' calculates CH4 produced, H2 consumed, CO2 consumed, pH, and Gibbs free energy changes as dissolved inorganic carbon is consumed.

Usage

methanogenesis.DIC(
  CH4.initial,
  K.CH4 = NA,
  H2.initial,
  K.H2 = NA,
  DIC.initial,
  pH.initial,
  K.CO2 = NA,
  temperature,
  VolumeSolution,
  VolumeHeadspace,
  K.CO2HCO3 = NA,
  K.HCO3CO3 = NA,
  delta.DIC = 1e-04,
  inoculum.cell.number = 1e+06,
  biomass.yield = 2.4,
  carbon.fraction = 0.44,
  cell.weight = 3e-14
)

Arguments

CH4.initial	Concentration of initial dissolved CH4, in molarity.
K.CH4	Henry's constant for CH4. NA by default (calculated by CHNOSZ).
H2.initial	Concentration of initial dissolved H2, in molarity.
K.H2	Henry's constant for H2. NA by default (calculated by CHNOSZ).
DIC.initial	Concentration of initial dissolved inorganic carbon, in molarity.
pH.initial	initial pH.
K.CO2	Henry's constant for CH4. NA by default (calculated by CHNOSZ).
temperature	Temperature of the system, in Kelvin.
VolumeSolution	Volume of liquid in the closed system, in liters.
VolumeHeadspace	Volume of gaseous head space in the closed system, in liters.
K.CO2HCO3	Equilibrium constant for the dissociation of CO2(aq) to HCO3-(aq). NA by default (calculated by CHNOSZ).
K.HCO3CO3	Equilibrium constant for the dissociation of HCO3- (aq) to CO3– (aq). NA by default (calculated by CHNOSZ).
delta.DIC	step size, in millimolar DIC. 0.1 mM by default.
inoculum.cell.number	Initial number of cells. 1e6 by default.
biomass.yield	mass of dry biomass produced per mol of product. 2.4 g/mol product by default.
carbon.fraction	w/w percent C of biomass, expressed as a decimal. 0.44 by default.
cell.weight	individual cell mass, in grams. 30e-15 by default.

Value

A data frame of the model results

Examples

methanogenesis(
CH4.initial = 1e-6,
H2.initial = 5e-4,
DIC.initial = 3.2e-3,
pH.initial = 7.5,
temperature = 273.15+40,
VolumeSolution = 80e-3,
VolumeHeadspace = 20e-3,
delta.DIC = 0.0001)

hoehler-labgroup/methanogenlab documentation built on April 25, 2022, 11:42 a.m.