Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions.

ABSTRACT: Many important industrial separation processes based on adsorption operate close to saturation. In this regime, the underlying adsorption processes are mostly driven by entropic forces. At equilibrium, the entropy of adsorption is closely related to the enthalpy of adsorption. Thus, studying the behavior of the enthalpy of adsorption as a function of loading is fundamental to understanding separation processes. Unfortunately, close to saturation, the enthalpy of adsorption is hard to measure experimentally and hard to compute in simulations. In simulations, the enthalpy of adsorption is usually obtained from energy/particle fluctuations in the grand-canonical ensemble, but this methodology is hampered by vanishing insertions/deletions at high loading. To investigate the fundamental behavio

SUBMITTER: Torres-Knoop A 

PROVIDER: S-EPMC5508337 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature