Potential of mean force calculation from molecular dynamics simulation of asphaltene molecules on a calcite surface

Energy and Fuels

Volumn 25, Issue 2, 2011, Pages 499-502

  Headen, Thomas F ^a,b   Boek, Edo S ^b,c  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b SCHLUMBERGER CAMBRIDGE RESEARCH   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCITE SURFACE; CONSTRAINT FORCES; CRYSTAL FACE; FREE ENERGY OF ADSORPTION; MINIMUM ENERGY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR REPRESENTATIONS; POTENTIAL OF MEAN FORCE; REASONABLE VALUE; REPULSIVE INTERACTIONS; TIME-AVERAGED;

ADSORPTION; CALCITE; CARBONATE MINERALS; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULES;

ASPHALTENES;

EID: 79951923097     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/ef1010385     Document Type: Conference Paper

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