Towards a particle based approach for multiscale modeling of heterogeneous catalytic reactors

Chemical Engineering Science(2019)

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摘要
•Simulation of convection-reaction-diffusion for heterogenous catalytic reactors.•Numerical computation of bulk mutual diffusivity using SRD.•Incorporation of complex reaction systems while maintaining the interfacial physics.•Dimensionless analysis to convey physical information between reactive systems.•Different modeling examples show from linear systems to nonlinear reaction systems.
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关键词
Heterogenous catalysis,Multiscale modelling,Stochastic rotation dynamics,Multicomponent diffusion,Nonlinear reactions,Unsteady state modelling
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