Computer simulation of surfactant solutions

Major advances have been made at several levels of computer simulation of surfactant solutions. Atomistic level studies of preassembled surfactant structures have become fairly routine. The development of structure in surfactant solutions has now been studied using atomistic, coarse grain and mesosc...

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Bibliographic Details
Published inCurrent opinion in colloid & interface science Vol. 5; no. 1; pp. 101 - 110
Main Authors Shelley, John C, Shelley, Mee Y
Format Journal Article
LanguageEnglish
Published Oxford Elsevier Ltd 01.03.2000
Elsevier
Subjects
Chemistry
Coarse grain
Computer simulation
Exact sciences and technology
General and physical chemistry
Surface physical chemistry
Surface-active agents: properties
Surfactant solutions
Computer simulation
Surfactant solutions
Coarse grain
Aggregation
Local structure
Phase diagram
Molecular cluster
Molecular dynamics method
Theoretical study
Aqueous solution
Surfactant
Solubilization
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Summary:Major advances have been made at several levels of computer simulation of surfactant solutions. Atomistic level studies of preassembled surfactant structures have become fairly routine. The development of structure in surfactant solutions has now been studied using atomistic, coarse grain and mesoscopic models. Coarse grain and mesoscopic simulations have been used to determine phase diagrams. The challenges involved in treating complex surfactant solutions will continue to drive this field forward.
ISSN:1359-0294
1879-0399
DOI:10.1016/S1359-0294(00)00042-X