Gems3k
3.1
GEMS3K standalone solver for geochemical equilibria
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DataBRidge defines the structure of node-dependent data for exchange between the coupled GEM IPM and FMT code parts. More...
#include <databr.h>
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] - - + +. |
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.