Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle-Reference-Cited by-同舟云学术

Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle

Published:2021-02-09 Issue:5 Volume:35 Page:4313-4332
ISSN:0887-0624
Container-title:Energy & Fuels
language:en
Short-container-title:Energy Fuels

Author:

Papavasileiou Konstantinos D.¹²^ORCID,Peristeras Loukas D.¹^ORCID,Bick Andreas²,Economou Ioannis G.¹³^ORCID

Affiliation:

1. National Center for Scientific Research “Demokritos”, Institute of Nanoscience and Nanotechnology, Molecular Thermodynamics and Modelling of Materials Laboratory, GR-15310 Aghia Paraskevi Attikis, Greece

2. Scienomics SARL, 16 rue de l’ Arcade, 75008 Paris, France

3. Texas A&M University at Qatar, Chemical Engineering Program, Education City, PO Box 23874, Doha 23874, Qatar

Funder

Stavros Niarchos Foundation

Publisher

American Chemical Society (ACS)

Subject

Energy Engineering and Power Technology,Fuel Technology,General Chemical Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.energyfuels.0c04151

Reference141 articles.

1. Gas-to-liquids (GTL): A review of an industry offering several routes for monetizing natural gas