Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline

Author： Nieto-Draghi Carlos   Bocahut Anthony   Creton Benoit   Have Pascal   Ghoufi Aziz   Wender Aurelie   Boutin Anne   Rousseau Bernard   Normand Laurent  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.34, Iss.2, 2008-02, pp. : 211-230

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Molecular simulation study of the glass transition for a flexible model of linear alkanes

By Martin-Betancourt Mariana   Romero-Enrique Jose   Rull Luis  

Molecular Simulation, Vol. 35, Iss. 12-13, 2009-10 ,pp. : 1043-1050

Taylor & Francis Ltd

Access to resources Recommend Favorite

Behaviour of water molecules in Nafion 117 for polymer electrolyte membrane fuel cell by molecular dynamics simulation

By Oh Kyung Su   Kim Dong Hyun   Park Seungho  

Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 1237-1244

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular dynamics simulation study of probe diffusion in liquid n-alkanes

By Yoo Choong-Do   Kim Soon-Chul   Lee Song Hi  

Molecular Simulation, Vol. 35, Iss. 3, 2009-03 ,pp. : 241-247

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular Simulation for Nanotechnologies: Application to Industry

By Hiwatari Yasuaki   Kaneko Yutaka   Ishida Hiroaki  

Molecular Simulation, Vol. 30, Iss. 13-15, 2004-11 ,pp. : 819-826

Taylor & Francis Ltd

Access to resources Recommend Favorite

Comparison of perfluoropolyethers and n-alkanes under shear via nonequilibrium molecular dynamics simulation

By Jiang B.   Kim J. M.   Keffer D. J.   Edwards B. J.  

Molecular Simulation, Vol. 34, Iss. 2, 2008-02 ,pp. : 231-242

Taylor & Francis Ltd

Access to resources Recommend Favorite