Department of Chemical Engineering, IIT Kanpur
SEMINAR
Speaker: Dr. Ateeque Malani, Postdoc, Chemical engineering
Department MIT, USA
Topic: Molecular Modeling of Wetting behavior and Self Assembly Processes
Date: Thursday 9^th February 2012
Place:L-4
Time:16:00 to 17:00
*All are welcome*
Tea will be served at 15:45 near L-4
*Abstract:*
Interfacial phenomena arise in a number of industrially important
situations, such as repellency of liquids on surfaces, condensation,
etc. In designing materials for such applications, the key component is
their wetting behavior, which is characterized by three-phase static and
dynamic contact angle phenomena. Molecular modeling has the potential to
provide basic insight into the detailed picture of the three-phase
contact line resolved on the sub-nanometer scale which is essential for
the success of these materials. In this talk, I will discuss a newly
proposed computational strategy to study three-phase equilibrium and
dynamic contact phenomena. As a proof of concept, the methodology has
been validated extensively using a simple Lennard-Jones (LJ) fluid in
contact with an LJ surface. The second part of the talk is focused on
understanding mechanism of silica formation, which is a key process in
sol-gel technologies. Even though experiments have been performed, the
mechanism of polymerization and the kinetics involved is poorly
understood. In this part, I will discuss the newly developed molecular
model, the simulation techniques used and the mechanism observed during
polymerization.
*About the Speaker*
Dr. Ateeque Malani completed graduate studies (M.Tech.) from IIT Bombay
in year 2002. After which he joined IISc Bangalore in 2004 to pursue
PhD in chemical engineering in the group of Prof. K. Ganapathy Ayappa,
where he worked on structure and dynamics of interfacial and confined
water. After finishing PhD in 2009, he joined UMASS Amherst as a
postdoctoral researcher. Currently he is pursuing his second postdoc in
chemical engineering department at MIT with Prof. Gregory Rutledge.