Computational investigation of the n-alkane/water interface with many-body potentials: The effect of chain length and ion distributions

Journal of Physical Chemistry C

Volumn 116, Issue 1, 2012, Pages 783-790

  Wick, Collin D ^a   Chang, Tsun Mei ^b   Slocum, Josh A ^a   Cummings, Oneka T ^a  

^a LOUISIANA TECH UNIVERSITY   (United States)

^b UNIVERSITY OF WISCONSIN PARKSIDE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AIR/WATER INTERFACES; COMPUTATIONAL INVESTIGATION; CONCENTRATED SOLUTION; HEATS OF VAPORIZATION; HYDROPHOBIC INTERACTIONS; INDUCED DIPOLES; INTERFACIAL CONCENTRATIONS; INTERFACIAL TENSIONS; INTERFACIAL WIDTH; ION DISTRIBUTIONS; LINEAR ALKANES; LIQUID DENSITY; MANY-BODY POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS; N-ALKANES; N-OCTANES; POLARIZABLE FORCE FIELD; POLARIZABLE POTENTIAL; WATER STRUCTURE;

BROMINE COMPOUNDS; CHAIN LENGTH; CHLORINE COMPOUNDS; COMPUTATIONAL CHEMISTRY; EXPERIMENTS; HYDROPHOBICITY; MOLECULAR DYNAMICS; VAPORIZATION;

PARAFFINS;

EID: 84855882441     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp208459g     Document Type: Article

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