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Structural and dynamical behavior of SO$_2$ molecules within ZSM22 is studiedusing MD simulations, to understand the influence of orientational disorder(OD) and intercrystalline spacing in ZSM22 as a function of adsorbate loading.Addition of inter-crystalline space provides connectivity of isolated pores inZSM22 and is shown to suppress both translational and rotational motion ofSO$_2$. We infer that geometry and dimensionality of the connecting space is animportant factor in determining the effects of pore connectivity on theadsorbed species behavior. As a function of OD, decrease in self diffusioncoefficient of SO$_2$ in ZSM22 is observed. An increase in rotationalcorrelation time t and a decrease in libration angle with OD is observed, dueto the restriction imposed on the orientational freedom of the adsorbate by anincrease in OD. The behavior of SO$_2$ result from an interplay of guest-hostinteractions and the dimensionality and confinement geometry.

Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO$_2$ in ZSM-22