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- W68333695 abstract "Prior to the work described here, numerical dynamic simulation of reactions and diffusive transport of fluid species in porous solids was confined to diffusion-limited cases, rate-limited cases and a few reduced complexity, nondimensionalized, isothermal models with equimolar counter-diffusion and relatively small values of reaction modulus. In 1983-1985, the authors showed that reformulation and discretization by the numerical method of lines for solution by a general-purpose ODE solver permitted economical simulations over the full range of behavior. In 1988, the authors published a study of the forms the model could take and the appropriate solution techniques for the temperature dependent, nonzero net flux, reversible, dimensional systems and released a code, MSRS, for such multispecies problems. In this paper, the authors summarize the studies of formulation/solver tradeoffs and discuss the issues of ODE versus DAE systems, equation set index, consistency of initial conditions, occurrence of fast initial numerical transients and numerical error suppression. Examples include a nine fluid/ten solid/fifteen reaction simulation of a spherical oil-shale particle undergoing in-situ retorting. Features include time-dependent boundary conditions and Arrhenius rates of reaction. Comparisons with EMCD and isothermal simulations are included. 7 refs., 2 figs., 3 tabs." @default.
- W68333695 created "2016-06-24" @default.
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- W68333695 date "1989-11-01" @default.
- W68333695 modified "2023-10-18" @default.
- W68333695 title "Modeling and simulation of multispecies reaction/diffusion transients" @default.
- W68333695 hasPublicationYear "1989" @default.
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