30/03/2021
Department of Chemical Engineering is organising the fifth Departmental Webinar on 4/4/2021 at 4 pm.
Title of the Talk: Phase Equilibria Using Monte Carlo Simulation Techniques
Speaker: Prof. Jhumpa Adhikari, IIT Bombay
Abstract: Understanding phase behaviour is crucial for the design and modelling of separation processes. The present seminar includes a cost-effective and powerful tool to study this phase behaviour study for pure substances and for mixtures. Molecular Simulation using efficient algorithms provides an accurate way to explore real system phase behaviour. The talk discusses methods like Single box Metropolis Monte Carlo, Gibbs Ensemble Monte Carlo, Gibbs Duhem Integration and Transition Matrix Monte Carlo techniques to predict the first-order phase transitions in generic and real systems. Case studies on VLE of R-PAC and VLE of TW fluids are shown to further illustrate these techniques.
About the Speaker: Jhumpa Adhikari is currently a Professor in the Department of Chemical Engineering at IIT Bombay. Her research interests include the study of phase equilibria for simple model systems as well as for real systems using Monte Carlo simulations and computer-aided molecular design frameworks for the design of task-specific molecules. She received her Ph.D. degree in 2004 from the University at Buffalo, The State University of New York at Buffalo, New York, USA, and B.E. (Hons) in Chemical Engineering from Regional Engineering College (now called N.I.T.) Durgapur, West Bengal, India. Prof. Adhikari has more than 300 citations with an h-index of 9.
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