Coupled sulfur isotopic and chemical mass transfer modeling: Approach and application to dynamic hydrothermal processes
A computational modeling code (EQPSreverse arrowS) has been developed to examine sulfur isotopic distribution pathways coupled with calculations of chemical mass transfer pathways. A post processor approach to EQ6 calculations was chosen so that a variety of isotopic pathways could be examined for each reaction pathway. Two types of major bounding conditions were implemented: (1) equilibrium isotopic exchange between sulfate and sulfide species or exchange only accompanying chemical reduction and oxidation events, and (2) existence or lack of isotopic exchange between solution species and precipitated minerals, parallel to the open and closed chemical system formulations of chemical mass transfer modeling codes. All of the chemical data necessary to explicitly calculate isotopic distribution pathways is generated by most mass transfer modeling codes and can be input to the EQPS code. Routines are built in to directly handle EQ6 tabular files. Chemical reaction models of seafloor hydrothermal vent processes and accompanying sulfur isotopic distribution pathways illustrate the capabilities of coupling EQPSreverse arrowS with EQ6 calculations, including the extent of differences that can exist due to the isotopic bounding condition assumptions described above. 11 refs., 2 figs.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 6701600
- Report Number(s):
- LA-UR-88-3243; CONF-881240-1; ON: TI89000345
- Resource Relation:
- Conference: Chemical modeling in aqueous systems II, San Francisco, CA, USA, 5 Dec 1988; Other Information: Portions of this document are illegible in microfiche products
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ISOTOPIC EXCHANGE
E CODES
MASS TRANSFER
DISTRIBUTION
EQUATIONS
EQUILIBRIUM
FLUIDS
MIXING
REACTION KINETICS
SEAWATER
SULFUR ISOTOPES
COMPUTER CODES
HYDROGEN COMPOUNDS
ISOTOPES
KINETICS
OXYGEN COMPOUNDS
WATER
400201* - Chemical & Physicochemical Properties
400202 - Isotope Effects
Isotope Exchange
& Isotope Separation