Energy analysis of a surfactant micelle’s deformation by coarse-grained molecular dynamics simulations
Chemical Engineering Science(2019)
摘要
•The Müller-plathe algorithm is adopted to generate deformations of a wormlike micelle.•New evidence for the “viscoelastic theory” is presented at the microscopic scale.•The penetrating counter ion salts are more beneficial to the turbulent drag reduction.
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关键词
MARTINI force field,Coarse-grained molecular dynamics simulation,Energy analysis,Viscoelasticity theory,Surfactant micelle,Turbulent drag reduction
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