455 The Industrial Fluid Properties Simulation Challenge

Wednesday, November 6, 2013: 8:30 AM
Franciscan A (Hilton)
Description:
Contributions describing entries in the Industrial Fluid Properties Simulation Challenge

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01a)

Chair:
Jonathan D. Moore
Email: jmoore2@dow.com

Co-Chair:
Daniel W. Siderius
Email: daniel.siderius@nist.gov


8:30 AM
(455a) Introduction and Announcement of the 8th Challenge
Richard B. Ross

8:45 AM
(455b) QSDFT Model for Simulation of Adsorption Isotherms and Characterization of Adsorbents
Alexander V. Neimark

9:10 AM
(455c) Predictive Adsorption Models for High Surface Area Activated Carbons
Lev Sarkisov

9:35 AM
(455d) Amorphous Microporous Materials: Virtual Design and Characterization
Coray M. Colina

10:00 AM
(455e) Development of Accurate Coarse Grained Surface-Particle Force Fields
Erich A. Müller

10:25 AM
(455f) Physical Adsorption, ESCA, and XRD Benchmark Studies of Activated Carbons for the 8th Industrial Fluid Properties Simulation Challenge
Matthias Thommes and Riaz Ahmad
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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