A molecular model is used for describing diffusion and sorption of a single component in a one-dimensional pore. A state space is defined in terms of the occupancy of different sites of an individual pore. The process of diffusion and sorption is then formulated for the first time as a Markov process. This results in a system of simultaneous linear equations whose solution gives important insights into the process of diffusion and sorption in zeolites. The obtained using this novel procedure are shown to be consistent with earlier results. The Markov process formulation can be extended to cover more complex cases which will be treated in later parts of this series
The objective of this study is to estimate the diffusivities of single and multicomponent ...
The combined phenomena of intra-crystalline adsorption, diffusion and reversible chemical reactions ...
The Maxwell–Stefan (M–S), or corrected, diffusivity, in zeolites shows a variety of dependencies on ...
Diffusion in zeolites is studied by means of Monte Carlo methods and the generalized Maxwell-Stefan ...
Diffusion of adsorbed molecules in zeolites plays an important role in the use of zeolites as adsorb...
The work presented in this chapter involves comparison of simulation and experimental results for in...
In this thesis the subject of molecular self-diffusion in zeolites is addressed using the Molecular ...
Abstract-Microporous solids with pore diameters comparable to effective molecular cross-sections are...
Recent developments in molecular simulation techniques provide estimates of data, and valuable new i...
The Maxwell–Stefan (M–S) formulation is shown to be the most convenient and general way of describin...
A microdynamic model for the adsorption and transport of molecules in ZSM-5 and silicalite-I zeolite...
Diffusion of mixtures in microporous materials such as zeolites is complicated by two important fact...
The goal of this work is to develop molecular simulation techniques to characterize the diffusion pr...
Using the Maxwell-Stefan approach, expressions have been derived for the diffusion of mixtures of hy...
A lattice model is proposed for describing the diffusion of small molecules in silicalite, as a spec...
The objective of this study is to estimate the diffusivities of single and multicomponent ...
The combined phenomena of intra-crystalline adsorption, diffusion and reversible chemical reactions ...
The Maxwell–Stefan (M–S), or corrected, diffusivity, in zeolites shows a variety of dependencies on ...
Diffusion in zeolites is studied by means of Monte Carlo methods and the generalized Maxwell-Stefan ...
Diffusion of adsorbed molecules in zeolites plays an important role in the use of zeolites as adsorb...
The work presented in this chapter involves comparison of simulation and experimental results for in...
In this thesis the subject of molecular self-diffusion in zeolites is addressed using the Molecular ...
Abstract-Microporous solids with pore diameters comparable to effective molecular cross-sections are...
Recent developments in molecular simulation techniques provide estimates of data, and valuable new i...
The Maxwell–Stefan (M–S) formulation is shown to be the most convenient and general way of describin...
A microdynamic model for the adsorption and transport of molecules in ZSM-5 and silicalite-I zeolite...
Diffusion of mixtures in microporous materials such as zeolites is complicated by two important fact...
The goal of this work is to develop molecular simulation techniques to characterize the diffusion pr...
Using the Maxwell-Stefan approach, expressions have been derived for the diffusion of mixtures of hy...
A lattice model is proposed for describing the diffusion of small molecules in silicalite, as a spec...
The objective of this study is to estimate the diffusivities of single and multicomponent ...
The combined phenomena of intra-crystalline adsorption, diffusion and reversible chemical reactions ...
The Maxwell–Stefan (M–S), or corrected, diffusivity, in zeolites shows a variety of dependencies on ...