Molecular Models of Mcf and Sba-15 and Gas Adsorption: a Molecular Simulation Study
Supriyo Bhattacharya, NC State University, 2834 Avent Fery Road, Apt 202, Raleigh, NC 27606, Benoit Coasne, Laboratoire de Physicochimie de la Matière Condensée, CNRS (UMR 5617) & Université de Montpellier II, Place Eugène Bataillon, 34095, Montpellier cedex 5, France, Francisco R. Hung, Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way / Campus Box 7905, Raleigh, NC 27695-7905 and Keith E. Gubbins, North Carolina State University, Raleigh, NC 27695 |
Patterning Nanoparticles in Structured Block Copolymer Thin Films
Dapeng Cao, University of California, 900 university avenue, Riverside, CA 92521 and Jianzhong Wu, University of California at Riverside, Department of Chemical and Environmental Engineering, A317 Bourns Hall, Riverside, CA 92521 |
Optimal Porosity Distribution in Nanoporous Catalysts
Marc-Olivier Coppens1, Stefan Gheorghiu2 and Eivind Johannessen2, (1)Delft University of Technology, Department of Chemical Technology, Julianalaan 136, Delft, 2628BL, The Netherlands, (2)Delft University of Technology, Department of Chemical Technology, Julianalaan 136, Delft, 2628BL, Netherlands |
Study of Geometries and Electronic Properties of Pd and Pd-Ni Alloy Chains on Single-Walled Carbon Nanotubes
Ling Miao, Babu Joseph and Venkat Bhethanabotla, Chemical Engineering Department, University of South Florida, 4202 E. Fowler Ave., Tampa, FL 33620 |
Multiscale Modeling of Melt Infiltration in Random Fibrous Materials
Wenli Zhang, Chemical Engineering, Louisiana State University, Baton Rouge, LA 70803, Karsten E. Thompson, Chemical Engineering, LSU, Louisiana State University, Baton Rouge, LA 70803 and Brian S. Mitchell, Chemical and Biomolecular Engineering, Tulane University, 300 Boggs Building, New Orleans, LA 70118 |
Molecular Modeling of Catalysis in Molecular Square Nanocavities
Manohar Murthi, Chemical and Biological Engineering, Northwestern University, 2145 Sheridan Rd. #E136, Evanston, IL 60208 and Randall Q. Snurr, Chemical and Biological Engineering, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 |
Multiscale Modeling of Solvent-Cast Sol-Gel Ceramic Films
Stephen E. Rankin and Xin Li, Chemical and Materials Engineering, University of Kentucky, 177 Anderson Hall, Lexington, KY 40506 |
Multiscale Modeling of the Synthesis of Quantum Semiconductor Nanostructures in Templated Media
Borislava Kostova1, Georgios Karanikolos1, Yannis G. Kevrekidis2 and T.J. Mountziaris1, (1)Chemical and Biological Engineering, SUNY-Buffalo, 303 Furnas Hall, Buffalo, NY 14260, (2)Chemical Engineering, Princeton University, Princeton, NJ 08544 |
Isostress Molecular-Dynamics Analysis of the Structural Response of Cubic Metallic Crystals to Hydrostatic Tension
Hadrian Djohari, Department of Chemical Engineering, University of Massachusetts, Amherst, 214 Goessmann Laboratory, Amherst, MA 01003, Frederick Milstein, University of California, Santa Barbara, Department of Mechanical & Environmental Engineering and Materials Department, Santa Barbara, CA 93106 and Dimitrios Maroudas, Department of Chemical Engineering, University of Massachusetts, Amherst, 157B Goessmann Laboratory, Amherst, MA 01003 |