Molecular Dynamics Investigation of the Potentiality of Zeolite NaY for Trimethylbenzene Isomer Separation: An Insight in Terms of Structure, Energetics, and …

OHS Al-Bahri, B Borah, MA Ajmi… - The Journal of Physical …, 2024 - ACS Publications
Isomers of trimethylbenzene (TMB) are the important constituent chemicals used in a variety
of industrial applications, including the production of synthetic resins, insecticides, dyes …

Diffusion of trimethylbenzenes, toluene, and xylenes in UWY zeolite as a catalyst for transalkylation of trimethylbenzenes with toluene

J Toda, G Sastre - The Journal of Physical Chemistry C, 2018 - ACS Publications
A molecular dynamics study has been carried out on the diffusion of trimethylbenzene
(TMB), toluene, and xylene molecules in transalkylation of TMB and toluene in UWY zeolite …

Thermodynamics of translational and rotational dynamics of C9 hydrocarbons in the pores of zeolite-beta

OHS Al-Bahri, B Borah, M Elzain… - Journal of Molecular …, 2022 - Elsevier
There has been a growing interest in the separation of aromatic hydrocarbon molecules
from the petroleum stream using zeolite-based technologies. This led to numerous …