Journal
MOLECULAR PHYSICS
Volume 117, Issue 23-24, Pages 3770-3782Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2019.1665724
Keywords
SAFT-VR-Mie; adsorption; 2D fluids
Funding
- QCCSRC by Qatar Petroleum
- Qatar Science and Technology Park
- Universidad de Guanajuato (Mexico) via DAIP-UG projects [CIIC 1143/2016, CIIC 292/2018]
- Engineering and Physical Sciences Research Council (EPSRC) of the UK [EP/EP016340, EP/J014958]
- University of Guanajuato
- EPSRC [EP/J014958/1, EP/E016340/1] Funding Source: UKRI
Ask authors/readers for more resources
We present an extension of the SAFT-VR Mie approach to model adsorption of molecular fluids based on a two-dimensional (2D) approximation to describe the adsorbed fluid. Analytical results are provided for the first- and second-order perturbation terms of the free energy for the 2D system. The adsorption model is based on the assumption that the particle pair interactions in the adsorbed and bulk phases are described with the same Mie potential exponents and , in contrast with the square-well version of the 2D-SAFT-VR approach in which it is considered necessary to modify the attractive ranges of the SW interactions. This important difference between the two approaches leads to a reduction in the number of molecular parameters to be determined. In order to demonstrate the performance of the 2D-SAFT-VR Mie approach, we present results for the the modelling of carbon dioxide (CO2) and methane (CH4) adsorbed onto dry coal. [GRAPHICS] .
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available