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Translation of Chemical Structure into Dissipative Particle Dynamics Parameters for Simulation of Surfactant Self-Assembly

[Image: see text] Dissipative particle dynamics (DPD) can be used to simulate the self-assembly properties of surfactants in aqueous solutions, but in order to simulate a new compound, a large number of new parameters are required. New methods for the calculation of reliable DPD parameters directly...

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Detalles Bibliográficos
Autores principales:	Lavagnini, Ennio, Cook, Joanne L., Warren, Patrick B., Hunter, Christopher A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154614/ https://www.ncbi.nlm.nih.gov/pubmed/33848165 http://dx.doi.org/10.1021/acs.jpcb.1c00480

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