(4an) Multi-Scale Modeling for Energy Applications: CO2 Sequestration, Shale Gas Recovery and Lithium-Ion Batteries

Sustainable use of existing energy sources and the development of novel sources is one of the main current challenges for researchers. As a faculty, I’m going to tackle this challenge from the perspectives of both theory and modeling. The particular areas of my interest are:

1)      Geological CO₂ sequestration
2)      Shale gas recovery
3)      High energy storage batteries

My research primarily focuses on modeling chemical engineering processes in porous materials ranging from nanoporous adsorbents and battery electrodes to geological formations: adsorption, transport, phase transitions, deformation, etc. My unique experience allows me to approach these phenomena at multiple scales. My toolset involves a number of computational chemistry and physics methods, including first principles (ab initio) simulations, molecular simulations (Monte-Carlo and Classical Density Functional Theory), finite element analysis, and computational thermodynamics methods for fluid-phase equilibrium calculations.

St. Petersburg State University, Russia: I received fundamental education in theoretical physics at St. Petersburg State University, Russia. There, besides a profound expertise in various branches of physics, I acquired comprehensive knowledge of mathematics. My research was in the field of first-order phase transitions. Particularly, I studied how a system consisting of liquid droplets and vapor evolves in time. In my PhD thesis, supervised by Prof. A. P. Grinin and Prof. F. M. Kuni, I developed a novel approach to the kinetic theory of non-isothermal nucleation using methods of thermodynamics, mathematical statistics, and transport phenomena.

Rutgers University: During the following two years I worked as a postdoctoral researcher at the Department of Chemical and Biochemical Engineering at Rutgers University (group of Prof. Alexander V. Neimark). My main focus was on modeling adsorption in nanoporous materials. I achieved the following results: I developed macroscopic and molecular theories of the deformation of nanoporous materials during adsorption; using Classical Density Functional Theory and Monte Carlo simulations I modeled nitrogen adsorption in novel types of nanoporous carbons and developed methods for characterization of these materials (which have been further successfully implemented in commercial instruments); I also modeled adsorption and transport of chemical warfare agents in polyelectrolyte membranes.

Princeton University: Currently I work at the Department of Civil and Environmental Engineering at Princeton University (group of Prof. Jean H. Prevost). My first research project at Princeton is on modeling CO₂ leaks from geological storage. It involves the development, implementation, and application of methods of computational thermodynamics and mechanics for modeling the compositional flow of CO₂-brine mixtures. Another project I’m currently working on is on developing a multi-physics model for lithium-ion batteries electrodes to study the mechanical reasons of batteries aging and degradation.

Apart from research activities, I have always enjoyed teaching. I have taught a number of courses to a variety of different audiences: from high-school students to Princeton graduate students.

At the poster session, besides giving an overview of my past and current research, I will discuss my plans in research and teaching as a prospective faculty.

Selected publications (from 23 total):

[1] G.Y. Gor, T.R. Elliot, J.H. Prevost, Effects of thermal stresses on caprock integrity during CO₂ storage, International Journal of Greenhouse Gas Control, 12 (2013) 300-309.
[2] G.Y. Gor, C.J. Rasmussen, A.V. Neimark, Capillary Condensation Hysteresis in Overlapping Spherical Pores: A Monte Carlo Simulation Study, Langmuir, 28 (2012) 12100-12107.
[3] G.Y. Gor, M. Thommes, K.A. Cychosz, A.V. Neimark, Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption, Carbon, 50 (2012) 1583-1590.
[4] G.Y. Gor, S. Tapio, A.V. Domanskaya, M. Rasanen, A.V. Nemukhin, L. Khriachtchev, Matrix-isolation study of the phenol-water complex and phenol dimer, Chemical Physics Letters, 517 (2011) 9-15.
[5] G.Y. Gor, A.V. Neimark, Adsorption-Induced Deformation of Mesoporous Solids, Langmuir, 26 (2010) 13021-13027.