Mary Jo Bojan
- Lecturer and Associate Lab Director
University Park, PA 16802
Email: mjb@chem.psu.edu
(814) 865-2895
Education:
- B.S., DePaul University, 1981
- Ph.D., Pennsylvania State University, 1986
Selected Publications:
M. Mercedes Calbi, Silvina M. Gatica, Mary J. Bojan, George Stan and Milton W. Cole, Condensed phases of gases inside nanotube bundles, Rev. Mod. Phys, 73, 857-876 (2001). Abstract
M. J. Bojan, V. A. Bakaev, and W. A. Steele, Smart Monte Carlo Algorithm for the Adsorption of Molecules at a Surface, Mol. Simul., 23, 191 (1999).
S. Curtarolo, M. W. Cole, M. J. Bojan and W. A. Steele, Computer Simulations of the Wetting Properties of Neon on Heterogeneous Surfaces, Phys. Rev. E, 59, 4402-4407 (1999).
W. A. Steele, and M. J. Bojan; in Proc. Characterization of Porous Solids IV, Bath, 1996, (ed. B. McEnaney, T. Mays, J. Rouquérol, F. Rodríguez-Reinoso, K. S. W. Sing, and K. K. Unger), Computer Simulation Study of Sorption in Cylindrical Pores with Varying Pore-wall Heterogeneity, The Royal Society of Chemistry, Cambridge, U.K., p. 47 (1997).
M. J. Bojan and W. A. Steele, Computer Simulation of Sorption in Pores with Rectangular Cross Sections, Carbon, 36, 1417 (1998).
R. van Slooten, M. J. Bojan, and W. A. Steele, Simulation Studies of the High Temperature Adsorption of Methane in a Sulfided Graphite, Langmuir, 10 542 (1994).
Information:
Theory and Simulation of Charge Transfer Reactions
Dr.
Bojan has been doing research in the area of adsorption at
heterogeneous surfaces using molecular dynamics and Monte Carlo
simulation techniques. These techniques have been applied to such
diverse systems as methane storage on graphitized surfaces, adsorption
and transport of methane in coal, and gas storage in carbon nanotubes.
Other studies involved the investigation of wetting behavior and phase
transitions.
Dr. Bojan is also interested in Chemical Education.
For the past 6 years, Penn State has offered a one credit course (Chem
6) for students to take concurrently with General Chemistry that is
designed to help them develop skills needed to be successful. As the
instructor in charge of Chem 6 she is able to explore methods of
improving learning for students at risk for failure in the large
lecture course. In the course Computer Applications in Chemistry, she
is trying to develop projects that will enable students to increase
their understanding of chemistry through use of standard software
programs, computer simulations, and molecular modeling techniques.
