Gems3k  3.1
GEMS3K standalone solver for geochemical equilibria
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Public Attributes
DATABR Struct Reference

DataBRidge defines the structure of node-dependent data for exchange between the coupled GEM IPM and FMT code parts. More...

#include <databr.h>

List of all members.

Public Attributes

long int NodeHandle
 Node identification handle, not used in calculaions on TNode level.
long int NodeTypeHY
 Node type code (hydraulic), not used on TNode level see NODETYPE.
long int NodeTypeMT
 Node type (mass transport), not used on TNode level see NODETYPE.
long int NodeStatusFMT
 Node status code in FMT part, not used on TNode level see NODECODEFMT.
long int NodeStatusCH
 Node status code in GEM (input and output) see NODECODECH.
long int IterDone
 Number of iterations performed by GEM IPM in the last run.
double TK
 Node temperature T (Kelvin) + + - -.
double P
 Node Pressure P (Pa) + + - -.
double Vs
 Volume V of reactive subsystem (m3) (+) (+) + +.
double Vi
 Volume of inert subsystem (m3) + - - +.
double Ms
 Mass of reactive subsystem (kg) + (+) - -.
double Mi
 Mass of inert subsystem (kg) + - - +.
double Gs
 Total Gibbs energy of the reactive subsystem (J/RT) (norm) - - + +.
double Hs
 Total enthalpy of reactive subsystem (J) (reserved) - - + +.
double Hi
 Total enthalpy of inert subsystem (J) (reserved) + - - +.
double IC
 Effective aqueous ionic strength (molal) - - + +.
double pH
 pH of aqueous solution in the activity scale (-log10 molal) - - + +
double pe
 pe of aqueous solution in the activity scale (-log10 molal) - - + +
double Eh
 Eh of aqueous solution (V) - - + +.
double Tm
 Actual total simulation time (s)
double dt
 Actual time step (s) - needed for diagnostics in GEMS3K output.
double * bIC
 Bulk composition of (reactive part of) the system (moles)[nICb] + + - -.
double * rMB
 Mass balance residuals (moles) [nICb] - - + +.
double * uIC
 Chemical potentials of ICs (dual GEM solution) normalized scale (mol/mol)[nICb] - - + +.
double * xDC
 Speciation - amounts of DCs in equilibrium state - primal GEM solution(moles)[nDCb] (+) (+) + +.
double * gam
 Activity coefficients of DCs in their respective phases [nDCb] (+) (+) + +.
double * dul
 Upper metastability constraints on amounts of DCs (moles) [nDCb] + + - -.
double * dll
 Lower metastability constraints on amounts of DCs (moles) [nDCb] + + - -.
double * aPH
 Specific surface areas of phases (m2/kg) [nPHb] + + - -.
double * xPH
 Amounts of phases in equilibrium state (moles) [nPHb] - - + +.
double * vPS
 Volumes of multicomponent phases (m3) [nPSb] - - + +.
double * mPS
 Masses of multicomponent phases (kg) [nPSb] - - + +.
double * bPS
 Bulk elemental compositions of multicomponent phases (moles) [nPSb][nICb] - - + +.
double * xPA
 Amount of carrier (sorbent or solvent) in multicomponent phases [nPSb] - - + + (+) can be used as input in "smart initial approximation" mode of GEM IPM-2 algorithm.
double * bSP
 Output bulk composition of the equilibrium solid part of the system, moles [nICb] - - + +.

Detailed Description

DataBRidge defines the structure of node-dependent data for exchange between the coupled GEM IPM and FMT code parts.

DATABR structure is used in TNode and TNodeArray classes.


The documentation for this struct was generated from the following file: