10.1021/acs.jpcb.7b11741.s001
Taras
V. Hvozd
Taras
V.
Hvozd
Yurij V. Kalyuzhnyi
Yurij V.
Kalyuzhnyi
Peter T. Cummings
Peter T.
Cummings
Phase Equilibria of Polydisperse Square-Well Chain
Fluid Confined in Random Porous Media: TPT of Wertheim and Scaled
Particle Theory
American Chemical Society
2018
Random Porous Media
perturbation
polydisperse hard-sphere square-well chain fluid
phase coexistence
matrix density shifts
polydispersity causes increase
Wertheim
TPT
hard-sphere square-well fluid
Scaled Particle Theory Extension
Polydisperse Square-Well Chain Fluid Confined
confinement
region
2018-04-15 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Phase_Equilibria_of_Polydisperse_Square-Well_Chain_Fluid_Confined_in_Random_Porous_Media_TPT_of_Wertheim_and_Scaled_Particle_Theory/6157481
Extension
of Wertheim’s thermodynamic perturbation theory
and its combination with scaled particle theory is proposed and applied
to study the liquid–gas phase behavior of polydisperse hard-sphere
square-well chain fluid confined in the random porous media. Thermodynamic
properties of the reference system, represented by the hard-sphere
square-well fluid in the matrix, are calculated using corresponding
extension of the second-order Barker–Henderson perturbation
theory. We study effects of polydispersity and confinement on the
phase behavior of the system. While polydispersity causes increase
of the region of phase coexistence due to the critical temperature
increase, confinement decreases the values of both critical temperature
and critical density making the region of phase coexistence smaller.
This effect is enhanced with the increase of the size ratio of the
fluid and matrix particles. The increase of the average chain length
at fixed values of polydispersity and matrix density shifts the critical
point to a higher temperature and a slightly lower density.