Fall 2024 Teaching
I am teaching CHEG 3200 Chemical Engineering Thermodynamics and CHEG 6100 Advanced Chemical Thermodynamics in Fall 2024 semester.
News
Published in Nature Energy: High-capacity methane storage in flexible alkane-linked porous aromatic network polymers
Adsorbed natural gas (ANG) technology is a viable alternative to conventional liquefied or compressed natural-gas storage. Many different porous materials have been considered for adsorptive, reversible methane storage, but fall short of the US Department…
An Experimental & Theoretical Study on Gas Adsorption on Amine and Amide Porous Polymers
In this manuscript, we report synthesis, characterization and application of amine and amide type covalent organic frameworks as CO2 adsorbent materials at various isotherms and wide pressure conditions. Furthermore, we also report a detailed density functional theory investigation of the…
High Pressure Methane Solubility in Natural Deep Eutectic Solvents
In this paper, we report high pressure experimental measurements and detailed density functional theory (DFT) as well as molecular dynamic (MD) simulations of methane (CH4) solubility in natural deep eutectic solvents (NADESs) that were prepared…
Permeabilities of CO2, H2S and CH4 through Choline-Based Ionic Liquids: Atomistic-Scale Simulations
Molecular dynamics simulations are used to study the transport of CO 2, H 2 S and CH 4 molecules across environmentally friendly choline-benzoate and choline-lactate ionic liquids (ILs). The permeability coefficients of the considered molecules…
Physicochemical properties on Choline Chloride + Lactic Acid based NADES
Natural deep eutectic solvent that is formed by choline chloride and lactic acid is studied as a function of various molar mixing ratios at different temperatures. The focus of the investigation is dynamic properties (viscosity,…
Mixed Deep Eutectic Solvents and Their Interaction with Nanomaterials
The nanoscopic level properties of a mixed deep eutectic solvent composed by choline chloride as hydrogen bond acceptor and urea plus ethylenglycol plus glycerol as hydrogen bond donor are studied using classical molecular dynamics simulations.…
Adsorption of acid gases by boron nitride-based nanomaterials
The properties of boron nitride-based nanomaterials that are studied on the purpose of acid gas capture were studied by a theoretically approach via both quantum chemistry and classical molecular dynamics methods. Three gases, CO2, H2S…
Special Issue on Deep Eutectic Solvents
Dear Colleagues, Deep eutectic solvents (DES), being cost-effective solvents, have attracted increasing attention in both academia and industry in recent years. Bringing together mixtures of hydrogen-bond donor(s) and hydrogen-bond acceptor(s), DESs are formed and such…
A Combined Experimental and Theoretical Study on Gas Adsorption of Porous Polymers
In this work (just accepted in Microporous Mesoporous Materials, we report synthesis, characterization and application of amine and amide type covalent organic frameworks as CO2 adsorbent materials at various isotherms and wide pressure conditions. Furthermore,…