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Mert Atilhan received his B.S. degree in chemical engineering from Ege University and M.S. (2004) and Ph.D. (2007) degrees in chemical engineering from the Texas A&M University, College Station, TX, USA. Dr. Atilhan is an Adjunct Associate Professor at Texas A&M University at Qatar in Department of Chemical Engineering and he is an active research affiliated member at Gas and Fuels Research Center at Texas A&M University at College Station. He has been active in the fields of applied and computational thermodynamics (DFT and MD) with the emphasis on development of novel materials for energy and environmental related fields. His research activities are mainly focused on very high accuracy property measurements including PVT-density-viscosity of complex fluids, equation of sate development for gases, VLE systems, natural gas hydrate equilibrium and inhibition via kinetic and thermodynamic inhibitors, ionic liquids properties and their utilization in engineering applications, development of high-stability and high-capacity novel gas storage sorbents. Dr. Atilhan has authored >150 peer reviewed publications and he secured >$8 million research funding. He was honored with “Research Award” three times in 2008, 2011, 2016, “Teaching Award” in 2016 and “Elsevier-Scopus Best Researcher of the Year Award” in 2015. (for further details visit LinkedIn profile here)

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Research Activities

“Measure what is measurable and make measurable what is not so.” Galileo Galilei (1564 – 1642)

Research Group Activities

Below is the list of research activity areas for Atilhan Research Group:

  • Experimental theoretical thermodynamics and computational chemistry (molecular dynamics and density functional theory) for energy, environmental and novel materials design applications.
  • Advanced porous materials (e.g. covalent organic polymers, metal organic frameworks, zeolites) for gas storage/separation applications with the emphasis on CO2 capture and CH4
  • Novel solvent design (e.g. ionic liquids, deep eutectic solvent and organic solvents) and their property determination for applications such as CO2 absorption and high performance lubricants.
  • Innovation in thermodynamic and kinetic inhibitor design and their performance test on effectiveness for the mitigation of gas hydrates by using both experimental and computational methods.
  • Property integration and flow-sheet optimization for design of novel solvents for advanced gas capture agents.
  • Multi-component gas mixture systems characterization, their thermodynamic property determination (e.g. density, viscosity and VLE) via both experimental and computational techniques.
  • Investigation of novel catalysts by using density functional theory for gas conversion into fuels applications.

Funded Research Projects

Deep Eutectic Solvents (DES) for gas sorption applications

In the last few years I have been leading curiosity driven projects on the field of deep eutectic solvents (DES) and natural deep eutectic solvents (NADES), which are produced by mixing ionic liquids and either with organic or naturally occurring solvents. By studying DES in my research portfolio, I intend…

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CO2 capture via advanced porous materials

There have been numerous projects that I led as LPI in the past few years. In these projects we designed, synthesized, characterized and tested gas adsorption performances of dozens of novel covalent organic polymers at wide process conditions including high pressures up to 250 bars. During these years, we also…

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Acid Gas Removal by Ionic Liquids

Acid Gas Removal by Ionic Liquids: an Experimental and Computational Approach: In this project we investigate series of different ionic liquids from different families on their application to toxic gas absorption (e.g. SOx, NOx, CO2 etc...) vie combined experimental and theoretical (DFT, MD, MC) approaches. Funding for this project is provided…

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Gas Hydrates Inhibition

Investigation on Gas Hydrates Thermodynamics and Kinetics: Experimental and Simulation Approach. There are three different hydrates projects we have been dealing with. In these project we design, synthesize and characterize novel thermodynamic and kinetic inhibitors to avoid hydrate problems in pipelines. By conducting state of the art computational techniques (DFT…

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GoogleScholar: Mert Atilhan *** Scopus: 12801317600 *** Citations: 2431 *** Total Publications: 150 *** H-Index: 25

Complete list of updated publication list

Entire list of publications and their details can be accessed from Google Scholar and Scopus.

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Focus: Nanoscopic approach on how porous polymers’ sorption mechanism work

DFT study highlights the impact of benzimidazole-linked polymer structure design and explain the molecular and electronic structure, investigate the interaction sites and elucidate the experimental results on carbon dioxide and nitrogen sorption on these porous structures. Affinity of gases on porous adsorbents is important for establishing an understanding of effective…

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Texas A&M University at Qatar
Department of Chemical Engineering
Education City
Doha - Qatar
mert.atilhan (at)
mert.atilhan (at)
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