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Molecular simulation and macroscopic modeling of the diffusion of hydrogen, carbon monoxide and water in heavy n-alkane mixtures

Corresponding authors
National Center for Scientific Research “Demokritos”, Institute of Physical Chemistry, Molecular Thermodynamics and Modelling of Materials Laboratory, GR-153 10 Aghia Paraskevi Attikis, Greece
Shell Global Solutions International BV, PO Box 38000, 1030 BN Amsterdam, The Netherlands
The Petroleum Institute, Department of Chemical Engineering, PO Box 2533, Abu Dhabi, UAE
Phys. Chem. Chem. Phys., 2012,14, 4133-4141

DOI: 10.1039/C2CP23471H
Received 04 Nov 2011, Accepted 30 Jan 2012
First published online 21 Feb 2012
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