Start
Oct 20, 2016 - 17:00
End
Oct 20, 2016 - 18:00
Venue
Room No.118 Chemical Engg Dept.
Event Type
Speaker
Prof. Sudeep Punnathanam Department of Chemical Engg. IISc Bangalore
Title
Molecular Simulations of Crystal Nucleation in Binary Hard Spheres
Abstract: Crystal Nucleation is the primary mechanism for phase transformation from fluid to solid phases. Despite its widespread occurrence our understanding of the mechanisms of nucleation is far from complete. In this talk I will be discussing methods to study crystal nucleation using molecular simulations and the application of these techniques to system of binary hard spheres. Hard sphere represent the computationally easiest system that shows fluid-solid phase transition and the phase diagrams of binary hard sphere mixtures can show complex features such as azeotrope formation eutectic points co-crystal formation etc. Through our simulations I will show that how the underlying phase diagram strongly influences the mechanism and pathway for crystal nucleation.Brief profile of the speaker: Dr. Punnathanam is presently an Associate Professor at IISc Bangalore. He did his bachelors and masters in Chemical Engg. from IIT Roorkee and IISc respectively. He then went on to do his PhD from Purdue Univ. USA following it with post-doctoral stints at Univ. of Minnesota Univ. of Massachusetts and Northwestern Univ. His broad research interests are in the areas of thermodynamics statistical thermodynamics and phase transitions. Specifically his interests are in crystal nucleation thermodynamics of clathrate hydrates and molecular modeling of supercapacitors.
(Attendance compulsory for CL702 students)