Structural and Dynamical Properties of Polystyrene Determined by Coarse-Graining MD Simulations
Vagelis Hamandaris1, Dirk Reith2, Nico F.A. van der Vegt1 and Kurt Kremer1, (1)Max-Planck Institute for Polymer Research, Ackermannweg 10, Mainz, Germany, (2)Computational Chemical Engineering Group, Fraunhofer Institute for Algorithms and Scientific Computing (SCAI), Schloss Birlinghoven, Sankt Augustin, Germany |
Rheological And Entanglement Characteristics Of Polyethylene Liquids And Visualization Of Conformational Changes In Shear And Elongational Flows
Jun Mo Kim, Chemical Engineering, The University of Tennessee, 419 Dougherty Hall, Knoxville, TN 37996-2200, David J. Keffer, The University of Tennessee, 617 Dougherty Hall Dougherty Hall, Knoxville, TN 37996-2200, Martin Kröger, Department of Materials, ETH-Zurich, Wolfgang-Pauli-Str. 10, Zurich, Switzerland and Brian J. Edwards, Department of Chemical Engineering, The University of Tennessee, 419 Dougherty Hall, Knoxville, TN 37996 |
Free Volume And Transport Properties In Polymeric Materials
Xiao-Yan Wang, University of Texas at Austin, Department of Chemical Engineering, Austin, TX 78712, Benny D. Freeman, Chemical Engineering, The University of Texas at Austin, 10100 Burnet Rd., Bldg 133, Center for Energy and Environmental Resources, Austin, TX 78758 and Isaac C. Sanchez, Chemical Engineering, University of Texas at Austin, Mail Code C0400, Austin, TX 78712 |
Transport Properties in Nanocomposites: Modeling Cfd Approach for Randomly Distributed Systems
Matteo Minelli, Marco Giacinti Baschetti and Ferruccio Doghieri, Department of Chemical Engineering, Mining and Environment Technology, Alma Mater Studiorum - University of Bologna, Via Terracini 34, Bologna, Italy |
Mesoscale Simulations Of Hydrated Nafion Membranes
Aleksey Vishnyakov, Department of Chemical and Biochemical Engineering, Rutgers, the State University of New Jersey, 98 Brett rd, Piscataway, NJ 08854 and Alexander V. Neimark, Department of Chemical and Biochemical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854-8058 |
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Coray M. Colina, Department of Materials Science and Engineering, Pennsylvania State University, 121 Steidle Building, University Park, PA 16802 |
Multiscale Simulations Of Fluid Flow Through Polymer Grafted “Smart” Nano- And Micro-Porous Materials
Zhengmin Li and Donald Brenner, Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907 |
Development of Structure-Property Relationships for Biobased Polymers Using Quantum and Molecular Mechanics Simulations
David Bruce, Department of Chemical and Biomolecular Engineering, Clemson University, 127 Earle Hall, Clemson, SC 29634-0909 and James McAliley, Chemical and Biomolecular Engineering, Clemson University, 127 Earle Hall, Clemson, SC 29634-0909 |
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