First-order kinetics-controlled multiple species reactive transport of dissolved organic compounds in groundwater: Development and application of a numerical model
Reactive chemical transport models developed over the past decade have generally relied on the assumption that local thermodynamic equilibrium is achieved at all times between aqueous species in a given system. Consequently, homogeneous aqueous systems characterized by a number of kinetically slow reactions, particularly problems involving organic species, cannot be satisfactorily modeled. In this study, we present a prototype computer model, KINETRAN, which is designed to handle kinetically-controlled homogeneous reactions in the aqueous phase, along with the transport of the various species involved, through geologic media. 31 refs., 53 figs., 10 tabs.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- DOE/ER
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6628114
- Report Number(s):
- LBL-29128; ON: DE91000188
- Resource Relation:
- Other Information: Thesis (Ph.D.)
- Country of Publication:
- United States
- Language:
- English
Similar Records
STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport
Modeling reactive transport of organic compounds in groundwater using a partial redox disequilibrium approach
Numerical modeling of coupled fluid flow and thermal and reactive biogeochemical transport in porous and fractured media
Technical Report
·
Thu Dec 01 00:00:00 EST 2005
·
OSTI ID:6628114
Modeling reactive transport of organic compounds in groundwater using a partial redox disequilibrium approach
Journal Article
·
Thu Sep 01 00:00:00 EDT 1994
· Water Resources Research; (United States)
·
OSTI ID:6628114
Numerical modeling of coupled fluid flow and thermal and reactive biogeochemical transport in porous and fractured media
Journal Article
·
Fri Jan 01 00:00:00 EST 2010
· Computational Geosciences, 14(1):149-170
·
OSTI ID:6628114
+4 more
Related Subjects
54 ENVIRONMENTAL SCIENCES
CHEMICAL REACTION KINETICS
MATHEMATICAL MODELS
ENVIRONMENTAL TRANSPORT
K CODES
GROUND WATER
CONTAMINATION
ORGANIC CHLORINE COMPOUNDS
AQUEOUS SOLUTIONS
DECOMPOSITION
EQUILIBRIUM
HALOGENATION
HYDROCARBONS
ORGANIC COMPOUNDS
POLLUTANTS
THERMODYNAMICS
CHEMICAL REACTIONS
COMPUTER CODES
DISPERSIONS
HYDROGEN COMPOUNDS
KINETICS
MASS TRANSFER
MIXTURES
ORGANIC HALOGEN COMPOUNDS
OXYGEN COMPOUNDS
REACTION KINETICS
SOLUTIONS
WATER
540220* - Environment
Terrestrial- Chemicals Monitoring & Transport- (1990-)
CHEMICAL REACTION KINETICS
MATHEMATICAL MODELS
ENVIRONMENTAL TRANSPORT
K CODES
GROUND WATER
CONTAMINATION
ORGANIC CHLORINE COMPOUNDS
AQUEOUS SOLUTIONS
DECOMPOSITION
EQUILIBRIUM
HALOGENATION
HYDROCARBONS
ORGANIC COMPOUNDS
POLLUTANTS
THERMODYNAMICS
CHEMICAL REACTIONS
COMPUTER CODES
DISPERSIONS
HYDROGEN COMPOUNDS
KINETICS
MASS TRANSFER
MIXTURES
ORGANIC HALOGEN COMPOUNDS
OXYGEN COMPOUNDS
REACTION KINETICS
SOLUTIONS
WATER
540220* - Environment
Terrestrial- Chemicals Monitoring & Transport- (1990-)