PEPPD 2013 Program

Check the PPEPPD 2013 program highlights below or download the full program.

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Confirmed Invited Lecturers:

• Esteban Brignole (PLAPIQUI - Universidad Nacional del Sur, Argentina)
• Pablo Debenedetti (Princeton University, USA)
• Bernd Eck (BASF, Germany)
• Daan Frenkel (University of Cambridge, UK)
• Sophie Jullian (IFP Energies Nouvelles, France)
• Jinghai Li (Chinese Academy of Science, China)
• Mónica Olvera de la Cruz (Northwestern University, USA)
• John M. Shaw (University of Alberta, Canada)
• Constantino Tsallis (Centro Brasileiro de Pesquisas Físicas, Brazil)
• Carlos Vega (Universidad Complutense de Madrid, Spain)

Workshops:

Properties of non-conventional gas and oil resources

• Introduction (10 min): Dr. Ricardo C. Pinto, Petrobras
• Oil Sands / Shale Gas / Acid Gas: What is it? Estimated reserves. Challenges for production and required properties measurement and new estimation methods. Will commercial software packages meet these new requirements? (30 min). Dr. Marco Satyro, Virtual Materials Group Inc.
• Pre-salt oil resources: Pre-salt oil resources: What is it? Estimated reserves. Challenges for production and properties measurement/estimation. Will commercial softwares meet these new requirements? Molecular simulation as a tool for properties estimation (30 min): Eng. Cassiano Aimoli, Petrobras
• Panel discussion (40 min)
• Concluding remarks (10 min): Dr. Ricardo C. Pinto, Petrobras

Molecular Simulation for Industrial Applications

• Introduction, open-source packages for Molecular Dynamics on CPUs and GPUs (20 min): Prof. Athanassios Z. Panagiotopoulos, Princeton University
• Availability and limitations of open-source software packages for Monte Carlo calculations of phase equilibria and adsorption (20 min): Prof. J. Ilja Siepmann, Univ. of Minnesota
• Novel applications of molecular modelling : adsorption and diffusivity in coal models, properties of oxygen-bearing molecules from ligno-cellulosic biomass, mechanical properties of polymer materials MY-PhU-XR (20 min): Dr. Marianna Yannourakou, Materials Design
• Panel discussion (30 min)
• Concluding remarks (15 min): Dr. Sophie Jullian, IFP-EN