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

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a
National Center for Scientific Research “Demokritos”, Institute of Physical Chemistry, Molecular Thermodynamics and Modelling of Materials Laboratory, GR-153 10 Aghia Paraskevi Attikis, Greece
E-mail: economou@chem.demokritos.gr
b
Shell Global Solutions International BV, PO Box 38000, 1030 BN Amsterdam, The Netherlands
c
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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