Start
Mar 22, 2012 - 17:00
End
Mar 22, 2012 - 18:00
Venue
Room 118 (Creativity Hall) Ground Floor Chemical Engineering Department
Event Type
Speaker
Chandrashekar Shankar CEO Vision Earthcare SINE IITB
Title
Molecular Design of Materials- Application to Mechanical Properties of Network Polymers
Abstract: This work is a part of a continuing program of study in the area of molecular design of materials. Network polymers formed by catalytic polymerization of di-cyclo-penta-diene (DCPD) is engaged as a model system due to its application in self healing materials. MD simulations are used to describe the evolution of the mechanical properties. Molecular dynamics (MD) simulations were deployed in order to predict differences in properties of network polymers as those formed by catalytic ring opening metathesis polymerization (ROMP) of DCPD. Networks formed by ROMP mechanisms were compared with those of random (RAND) cross linked polymers such as epoxies using a coarse grained (CG) approach. The CG model used Lennard Jones (LJ) particles and Hookean bond and angle constraints. Insights from these CG simulations were used to design fully atomistic simulations for ROMP of DCPD. Mechanical properties such as Young’s Modulus and Poisson’s ratio were predicted at various degrees of reaction. These simulations predict two distinct transitions in mechanical response as reaction proceeds viz. liquid to rubber and then on to glassy structures. Comparisons with experiments will be presented. Time permitting I will also present 1) Overview of MD simulation of flow through carbon nanotube (CNT) membranes with the object of evaluating CNT membranes for water desalination carried out while as a Post Doctoral Research Associate at the University of Pittsburgh. 2) Scientific aspects of work concerning water and waste water treatment being carried out as CEO of Vision Earthcare Pvt. Ltd. incubated in SINE IIT Bombay. Brief CV Sketch: Chandrashekar Shankar studied at Kendriya Vidyalaya IIT Bombay; then on to a B.Tech Chem. Engg. IIT Bombay (2001). He then completed his PhD in Material Science and Engineering at the University of Michigan Ann Arbor (2008). After his PhD as Post Doctoral Research Associate he was at the Department of Chemical and Petroleum Engineering University of Pittsburgh (2009-2010). Beginning April 2010 he is in Mumbai as CEO of Vision Earthcare piloting SBT technology of IIT Bombay for waste water treatment through the start-up: Vision Earthcare (VEC) incubated at SINE IIT