Critical evaluation of recent developments in hydrogeochemical transport models of reactive multichemical components
- Oak Ridge National Laboratory, TN (USA)
This paper evaluates hydrogeochemical transport models for multicomponent systems in terms of (1) the severity of the constraints the models places on computer resources, (2) which equilibrium geochemical processes a model can include, and (3) how easily the model can be modified to deal with mixed kinetic and equilibrium reactions. The use of SIA (sequential iteration approach) models leads to the fewest constraints on computer resources in terms of central processing unit (CPU) memory and CPU time; DAE (differential and algebraic equation) and DSA (direct substitution approach) models require excessive CPU memory and CPU time for realistic two- and three-dimensional problems. Six primary dependent variables (PDVs) have been employed in existing models: concentrations of all species; concentrations of all component species and precipitated species; total analytical concentrations of aqueous components; total dissolved concentrations of aqueous components; concentrations of aqueous component species; and hybrid concentrations. SIA models using the third type of PDVs are recommended for their practicality and flexibility. DSA and DAE models should remain research tools for one-dimensional investigations.
- OSTI ID:
- 5048584
- Journal Information:
- Water Resources Research; (USA), Vol. 25:1; ISSN 0043-1397
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
POLLUTANTS
ENVIRONMENTAL TRANSPORT
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
GEOCHEMISTRY
HYDROLOGY
MATHEMATICAL MODELS
NONLINEAR PROBLEMS
PARTIAL DIFFERENTIAL EQUATIONS
RECOMMENDATIONS
SOLUTES
SUBSURFACE ENVIRONMENTS
WATER POLLUTION
CHEMISTRY
DIFFERENTIAL EQUATIONS
EQUATIONS
MASS TRANSFER
POLLUTION
SIMULATION
540320* - Environment
Aquatic- Chemicals Monitoring & Transport- (1990-)