First-order kinetics-controlled multiple species reactive transport of dissolved organic compounds in groundwater: Development and application of a numerical model

Technical Report · Tue May 01 00:00:00 EDT 1990

DOI:https://doi.org/10.2172/6628114· OSTI ID:6628114

McNab, Jr, W W

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

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-)