Closer view is not always better but closer calculation is always better.
Dr. Kishant Kumar
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Iodo-Functionalized Metal-Organic Framework (Cu-BTC)
Iodo-Functionalized Metal-Organic Framework (Cu-BTC)
Charge Caluation on Cluster of Cu-BTC using CHELPG Method for Grand Canonical Monte Carlo Simulation to Study the Gas Adsorption.
Zirconium based MOFs (UiO-66 & 67)
Zirconium based MOFs (UiO-66 & 67)
Two different types of pore represented by yellow and blue ballon
Microporous Structure can be Tailored for Enhanced CO2 Capture and Selectivity
Zirconium based MOFs (UiO-66 & 67)
Zirconium based MOFs (UiO-66 & 67)
a) Spatial CO2 distribution throughout the GCMC simulation
b) CO2 Density Contour in the plane of the MOFs
Atomistic Model of Modified Mesoporous Material (MCM-41-modified) for CO2 Capture and Separation
Atomistic Model of Modified Mesoporous Material (MCM-41-modified) for CO2 Capture and Separation
a) CO2 and N2 (blue ball) represented by three point model
b) CO2 represented by three point model while CH4 (green ball) represented by single site model
Deep Eutectic Solvents (DES) for Liquid Liquid Extraction (LLE)
Deep Eutectic Solvents (DES) for Liquid Liquid Extraction (LLE)
a) Reline (1 Choline Chloride + 2 UREA)
a) Reline (1 Choline Chloride + 2 UREA)
a) Ethaline (1 Choline Chloride + 2 ETHYLENE GLYCOL)
a) Ethaline (1 Choline Chloride + 2 ETHYLENE GLYCOL)
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