Adsorption of hydrocarbon mixtures in porous materials

Zeolites (microporous crystalline materials) are used in industry as molecular sieves which are able to separate mixtures of different hydrocarbons. Monte Carlo simulations of hydrocarbon mixtures within the porous network of the zeolite are presented and the temperature dependence of the separation is analysed. An explanation for the low and high temperature separation is offered based upon the shape of the hydrocarbons and the pore topology. It is also possible to simulate the behaviour of molecules in pores whose diameter is an order of magnitude larger than those of zeolites. A brief introduction to such materials is given, alongwith a discussion of the structure of adsorbed molecules within the pores.