Energy and
Environmental
Research
Laboratory
Estejab Research Group
Exploring the beauty of science for a sustainable future through catalytical activity
"The important thing is not to stop questioning."
Albert Einstein
Photo by Alan Rodriguez on Unsplash
COH adsorbed on catalyst surface; hydrogen boned with adjacent water molecules.
Secrets of Science
To address environmental challenges like pollution from fossil fuel use, we focus on catalysis and novel materials for pollutant separation. Additionally, we explore green energy and novel methods in added-values of chemical products. Our research spans computational techniques, including macro and micro scales, and atomic and molecular scales using quantum mechanics and molecular dynamics. Combining industrial experience with academic pursuits, we seek practical solutions to complex environmental issues.
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Applications of Molecular Modeling
New generation of catalyst and separation techniques
Metal-Organic Frameworks (MOFs) have emerged as a promising and innovative approach for the separation of pollutants; although, their application does not limit to separation. They can be used as catalysis, gas storage and drug delivery.
They are suitable for gas storage and separation via adsorption due to their high surface area and large pore volume.
Other Applications of Molecular Modeling
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What is going on the Mars?
When planning for missions to Mars, one critical challenge is protecting spacecraft and astronauts from the harsh Martian environment, which includes high levels of radiation and extreme temperature fluctuations. To address this, chemical engineers use molecular modeling to design and optimize advanced materials for insulation and radiation shielding.
By virtually studying the interactions between different materials at the molecular level, researchers can identify compounds that exhibit exceptional thermal resistance, low thermal conductivity, and high radiation absorption properties.
They can also explore the behavior of these materials under Martian conditions to ensure their durability and performance during the long and challenging journey to and from Mars.
Photo by National Cancer Institute on unsplash
Designing new drugs using molecular modeling.
By virtually exploring how the drug molecules interact with specific targets in the body, we can predict their effectiveness and side effects, streamlining the drug development process.