pH_general: Find equilibrium parameters
In troelsring/ABCharge: ABCharge

Find equilibrium parameters

1 2	pH_general(Na = 0, K = 0, Cl = 0, Lact = 0, Ca = 0, Mg = 0, PCO2 = 0, Alb = 0, WA = list(), TOT, A = A, b = b)

`Na, K, Cl, Lact, Ca, Mg`	Strong ions inputs, "0" if not present.
`PCO2, Alb`	If present PCO2 and Albumin are handled - "0" if not present.
`WA`	List of lists with names of all buffers in first list, and all pK values from smallest to highest for each buffer in second list.
`TOT`	Vector of total buffer concentrations.
`A, b`	Constants from Davies equation.

Returns pH: pH as -log10 of direct H from charge balance minimization after correction for ionic strength, KpH: -log10 of that H multiplied by F1 (activity coeff for charge=1), UNCOR_pH: pH with all activity coeffs = 1,II: final ionic strength, FII: ionic strength before optimizing activity coefficients, i: number of iterations in optimization, SPECS: vector of all buffer species, FSPECS: species distribution before optimizing activity coefficients.

troelsring/ABCharge documentation built on May 21, 2019, 11:11 a.m.