Group members, December 2013

From the left:
Filipe De Souza
Mahmoud Sharawy
Eric Chiu
Stella Consta
Myong Oh
Falana Sheriff
Robert Szabla
Sepideh Soltani

Computational Physical Chemistry

Computer simulations is a powerful tool in exploring microscopic details of physical and chemical phenomena. Sizes of systems that are investigated range from clusters to bulk systems. We focus on application of Molecular Dynamics and Monte Carlo techniques to study activated processes in solutions. The systems are modelled at the atomic scale using different levels of description in order to capture features defining the properties of the systems.

Classification of the ejection mechanisms of charged macromolecules from liquid droplets

Styliani Consta* and Anatoly Malevanets
Department of Chemistry, The University of Western Ontario, London, Ontario, Canada N6A 5B7
Hosp Sick Children, Mol Struct & Funct Program, Toronto, ON M5G 1X8, Canada
Journal of Chemical Physics, 2013, 044314

Variation of droplet acidity during evaporation

Anatoly Malevanets and Styliani Consta
Hosp Sick Children, Mol Struct & Funct Program, Toronto, ON M5G 1X8, Canada
Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada
Journal of Chemical Physics, 138:184321, MAY 14, 2013.

Charge-Induced Conformational Changes of PEG-(Na+)n in a Vacuum and Aqueous Nanodroplets

Styliani Consta and Jun Kyung Chung
Department of Chemistry, The University of Western Ontario, London, Ontario, Canada N6A 5B7
J. Phys. Chem. B, 2011, 115 (35), pp 10447–10455

A study of conformational equilibrium of 1,1,2-trichloroethane in FAU-type zeolites

Andrei Buin, Haiyan Wang, Styliani Consta, and Yining Huang
A study of conformational equilibrium of 1,1,2-trichloroethane in FAU-type zeolites MICROPOROUS AND MESOPOROUS MATERIALS, 183:207-217, JAN 1 2014.

Abstract

Congratulations to the lab NSERC winner

Congratulations to Myong Oh on his NSERC graduate award!

Congratulations to the lab SOUSCC winners

Falana Sheriff,
Interactions of Macromolecular Complexes in Charged Aqueous Nanodrops;
First Prize in the Physical Chemistry Session of Southern Ontario Undergraduate Student Chemistry Conference-SOUSCC-University of Windsor, March 2014

Filipe De Souza,
Effect of Charge Distribution on the Stability of Droplets;
Second Prize in the Analytical Chemistry Session of Southern Ontario Undergraduate Student Chemistry Conference-SOUSCC-University of Windsor, March 2014

Zeolites

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