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My current research interests include modelling adsorption properties of short-chain alkanes/alkenes on MOF frameworks. GCMC calculations are used to model adsorption isotherms and henry constant variations with temperatures. My current research project involves modeling adsorption of C2/C3 species in nanostructured materials for separation of olefins and paraffins within the context of the Moonrise Project.
October 2019 - November 2021
- Research Associate
- I have worked on a research project entitled Modelling and Characterization of Chemical Sensor Materials under the guidance of Dr. Chockalingam Thiagarajan. We have developed a theoretical model to characterize the sensitivity performance of potentiometric metal oxide sensors by adapting the Triple-Layer-Model. This project has resulted in a recent publication in the International Journal of Chemical Engineering.
ZIFs are attractive candidates for membrane materials for separation of olefins and paraffins. Experimental characterization of adsorption/separation properties of MOFs is infeasible for screening large numbers of MOFs for new applications. Force-field based GCMC simulations offer a quicker alternative. However, the reliability of the predictions d...
A numerically solvable engineering model has been proposed that predicts the sensitivity of metal oxide- (MOX-) based potentiometric pH sensors. The proposed model takes into account the microstructure and crystalline structure of the MOX material. The predicted pH sensitivities are consistent with experimental results with the difference below 6%...
Development of membranes to separate olefins and paraffins with reduced energy expenditure as compared to cryogenic distillation