Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

Chemical Physics Letters

Volumn 487, Issue 1-3, 2010, Pages 71-76

  He, Xibing ^a   Shinoda, Wataru ^b   DeVane, Russell ^d   Anderson, Kelly L ^c   Klein, Michael L ^d  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c PROCTER AND GAMBLE COMPANY   (United States)

^d Temple University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; COARSE GRAINED MODELS; COARSE-GRAINED; LINEAR ALKYLBENZENE SULFONATES; NONBONDED INTERACTION; PARAMETERIZED; RANDOM CONFIGURATIONS; SODIUM DODECYLBENZENE SULFONATE; STRUCTURAL DATA; THERMODYNAMIC DATA;

COMPUTATIONAL EFFICIENCY; ISOMERS; LITHIUM ALLOYS; MOLECULAR DYNAMICS; SELF ASSEMBLY; SODIUM; SOLUTIONS; SULFUR COMPOUNDS; SURFACE ACTIVE AGENTS;

COMPUTER SIMULATION;

EID: 76349107341     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.01.029     Document Type: Article

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