Modeling bimolecular reactions and transport in porous media via particle tracking
نویسندگان
چکیده
منابع مشابه
Modeling Bimolecular Reactions and Transport in Porous Media Via Particle Tracking
15 We use a particle-tracking method to simulate several one-dimensional bi16 molecular reactive transport experiments. In our numerical scheme, the 17 reactants are represented by particles: advection and dispersion dominate 18 the flow, and molecular diffusion dictates, in large part, the reactions. The 19 particle/particle reactions are determined by a combination of two proba20 bilities dic...
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ion reaction, after the ZPE contributions are included there is no barrier in the effective potential along the reaction coordinate, so important variational effects are expected. Both VMEP and the vibrationally adiabatic potential are plotted along the path in Figure 1. At room temperature the maximum of the free energy (see eq 2.4.36) is located at s* CVT ) -0.364 a0, whereas s* μVT is energy...
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ژورنال
عنوان ژورنال: Advances in Water Resources
سال: 2013
ISSN: 0309-1708
DOI: 10.1016/j.advwatres.2012.11.001