ELY RESEARCH GROUP
Research Objectives
Our research objectives are four-fold:
1)
Fundamental investigation of the equilibrium and nonequilibrium
properties of molecular fluids and asymmetric fluid mixtures through computer
simulation;
2)
Development of advanced, highly accurate predictive models for mixture
equilibrium properties and phase transitions through applied molecular theory;
3)
Development and application of selection algorithm methodology and
results from fundamental theory to the design of high accuracy equations of
state;
and
4)
Application of new theoretical concepts and insights to the development
of improved engineering design models.
We
try to achieve these research objectives through an approach where all
objectives are integrated, e.g., theory, computer simulation, correlation and
applications are very closely coupled.
Research
Group Members
Sergei Kiselev - Research Associate Professor
Dawn Culley - Ph. D. Candidate
John Jechura - Ph. D. Candidate
Heather Barkley - Ph.D.Candidate
e-mail: skiselev@mines.edu
e-mail: dculley@mines.edu
Sergei Kiselev
Sergei joined the Chemical Engineering Department at CSM
in 1998 after spending several years at NIST in Boulder. His
research focuses on applying crossover theory to engineering equations
of state and to better understanding of near critical adsorption and
metastable fluid behavior.
Dawn Culley
Dawn received her B.S. degree in both Chemistry and
Chemical Engineering in 2000 from CSM. After working as a chemical
engineer, she decided to return to graduate school to obtain a Ph.D, with
the long term goal of being a professor. Her research deals with molecular
simulations of mixtures and force field development.
John Jechura
 |
John received a BS (ChE) from the University of Toledo, in
1978 and a MS (ChE) from the University of Michigan, in 1980. After
spending 20 years with Marathon Oil Company, John started to work on his
Ph.D. at CSM and also joined the NREL Process Engineering team where he
works as a computer modeler & applied thermodynamicist. At NREL he
has performed techno- economic studies of the biomass to ethanol
conversion process using ASPEN PLUS. He has also done studies of
separation via chromatography, mechanism-based reaction modeling, and
corrosion rate correlation. As CSM he has been researching advanced
equation of state models
e-mail: john@jechura.com |
Bin Liu
 |
Bin received his B.S. degree in China and
started his doctoral studies at CSM in September, 2003. He is
working on force field development and simulation of solid-oxide fuel cells
and is co-advised with Professor Mark Lusk of the Engineering Division at
CSM
e-mail: biliu@mines.edu |
Alumni
Joseph D. Kuhach, M.S., A Hard Sphere Expansion Equation of State Applied to Conformal Solution Theory, 1985.
Luis
A. Chu, M.S., An Experimental Study of Solubility Differences between Phenol and
m-Cresol in Supercritical Carbon Dioxide,1986. (co-advised with R. M.
Baldwin)
Gerald
J. Sherman, M.S., Isochoric PVT Experiments for (0.99 CO2 + 0.01 C2H6)
and Modeling PVT Behavior of Carbon Dioxide Rich Mixtures, 1988.
Dale
D. Erickson, Ph.D., A Method for Improving Equations of State Near the Critical Point,
1988. (Rice University, co-advised with T. W. Leland)
Jeffery
R. Swanson, M.S., Investigation of Dense Fluid Viscosity by Molecular Dynamics Simulation
of Hard Spheres, 1989.
Tappan
K. Bhatt, M.S., Application of Selection Algorithm Methodology to the Development of New
Equations of State for Refrigerants, 1993.
Laurel
A. Watts, Ph.D., The Solubility of ZnO in Supercritical
H2O-NaCl Solutions,
1994.
Katherine
B. Shubert, M.S., Application of linear regression decision algorithms In the development
of equations of state for refrigerants R134a and R123, 1994.
Jianzhi
Ge, Ph.D., Statistical Mechanical Models for the Properties of Asymmetric Fluid Mixtures, 1995.
Jurivan Ratanapisit, M.S., Modification of the Lee-Kesler Model Using MBWR-32 Equations of State , 1995.
Vibha
Bansal, Ph.D., Molecular Dynamics Studies of Rheology in Fluid Mixtures, 1996.
Bichun
Xu, M.S., Mixing
Rules and a Corresponding States Model for Refrigerant Mixtures, 1996
Isabel
Marrucho-Ferreira, Ph.D., Extended
Corresponding States Theory: Application for Polar Compounds and Their
Mixtures, 1997. (co-advised with A. M. F. Palavra, University of Lisbon)
Kindra
M. Snow, M.S., Development of a
Simple, Accurate Equation of State for Alternative Refrigerants, 1997.
Ratan Mandavilly, M.S., Molecular Scale Flow Visualization Using MD Techniques, 2000
Charity Garrison, M.S., Design and Construction of a Gas Absorber for the Unit Operations Laboratory, 2003
Heather Barkley, M.S., GCMC Predictions for the m68
Force Field, 2007.