Chemical Engineering
Program Texas A&M
University at Qatar
P.O. Box 23874, Doha – Qatar
Summary :
Modeling fluid thermodynamic properties generally does not take into account the effect of confinement. However, when the fluid is confined in small spaces, as in the pores of an adsorbent material or rocks in an oil field, their behavior can be very different from that observed when confined in large spaces. Approaches to predict the behavior of confined fluids ranging from simple models such as adsorption isotherms, to detailed molecular simulations, via Monte Carlo method and molecular dynamics. Intermediate complexity approach is the development and application of state equations for confined fluids. In this talk, recent advances in molecular simulation, state equations, and methods for the determination of the equilibrium properties of confined fluids are present. Applications focus pure hydrocarbons and mixtures thereof.