title: Simulating stable carbon and chlorine isotope ratios in dissolved chlorinated groundwater pollutants with BIOCHLOR-ISO.
abstract: BIOCHLOR is a well-known simple tool for evaluating the transport of dissolved chlorinated solvents in groundwater, ideal for rapid screening and teaching. This work extends the BIOCHLOR model for the calculation of stable isotope ratios of carbon and chlorine isotopes in chloroethenes. An exact solution for the three-dimensional reactive transport of a chain of degrading compounds including sorption is provided in a spreadsheet and applied for modeling the transport of individual isotopes12C,13C,35Cl,37Cl from a constant source. The model can consider secondary isotope effects that can occur in the breaking of CCl bonds. The model is correctly reproducing results for δ13C and δ37Cl modeled by a previously published 1-D numerical model without secondary isotope effects, and is also reproducing results from a microcosm experiment with secondary chlorine isotope effects. Two applications of the model using field data from literature are further given and discussed. The new BIOCHLOR-ISO model is distributed as a spreadsheet (MS EXCEL) along with this publication.
authors.affiliation: Aix Marseille Univ, CNRS UMR 7376, Laboratoire Chimie Environnement, 3 place Victor Hugo, F-13331 Marseille, France. Electronic address: patrick.hohener@univ-amu.fr.
authors.forename: Patrick
authors.initials: P
authors.lastname: Höhener
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D002713:Chlorine / Q000032:analysis; D004784:Environmental Monitoring / Q000379:methods*; D060587:Groundwater / Q000737:chemistry*; D006843:Hydrocarbons, Chlorinated / Q000032:analysis*; D008962:Models, Theoretical; D014752:Vinyl Chloride / Q000032:analysis; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D002247:Carbon Isotopes; D006843:Hydrocarbons, Chlorinated; D014874:Water Pollutants, Chemical; D002713:Chlorine; D014752:Vinyl Chloride
keywords: Contaminated sites; Natural attenuation; Reactive transport; Saturated zone; Stable isotopes