title: Assessment of interfacial mass transfer in water-unsaturated soils during vapor extraction.
abstract: This paper presents results of a numerical investigation of soil vapor extraction (SVE) systems at the laboratory scale. The SVE technique is used to remove volatile chlorinated hydrocarbons (VCHC) from the water-unsaturated soil zone. The developed numerical model solves equations of flow, transport and interfacial mass transfer regarding an isothermal n-component and three-phase system. The mathematical model is based on a simple pore network and phase distribution model and designed to be scaled by a characteristic length. All mathematical expressions are structured into VCHC specific and VCHC non-specific parameters. Furthermore, indicators are introduced that help to separate thermodynamic equilibrium from thermodynamic non-equilibrium domains and to determine the controlling physical parameters. For numerical solution, the system of partial differential equations is discretized by a finite volume method and an implicit Euler time stepping scheme. Computational effort is reduced notably through techniques that enable spatial and temporal adaptivity, through a standard multigrid method as well as through a problem-oriented sparse-matrix storage concept. Computations are carried out in two dimensions regarding the laboratory experiment of Fischer et al. [Water Resour. Res. 32 (12) 1996 3413]. By varying the characteristic length scale of the pore network and phase distribution model, it is shown that the experimental gas phase concentrations cannot be explained only by the volatility and diffusivity of the VCHC. The computational results suggest a sorption process whose significance grows with the aqueous activity of the less or non-polar organic compounds.
authors.affiliation: Interdisciplinary Center for Scientific Computing, Reactive Flows Group, INF 368, University of Heidelberg, D-69120 Heidelberg, Germany. simon.hoeg@sap.com
authors.forename: S
authors.initials: S
authors.lastname: Hoeg
authors.forename: H F
authors.initials: HF
authors.lastname: Schöler
authors.forename: J
authors.initials: J
authors.lastname: Warnatz
mesh_terms: D000042:Absorption; D004058:Diffusion; D005740:Gases / Q000737:chemistry; D006843:Hydrocarbons, Chlorinated / Q000737:chemistry; D007700:Kinetics; D011312:Pressure; D011791:Quartz / Q000737:chemistry; D012989:Soil Pollutants / Q000032:analysis; D012997:Solvents / Q000737:chemistry; D013816:Thermodynamics; D014835:Volatilization; D014867:Water / Q000737:chemistry*; D014872:Water Movements
chemical_list: D005740:Gases; D006843:Hydrocarbons, Chlorinated; D012989:Soil Pollutants; D012997:Solvents; D014867:Water; D011791:Quartz