Literature DB >> 23742516

Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics.

Patrick B Warren1, Andrey Vlasov, Lucian Anton, Andrew J Masters.   

Abstract

We investigate the screening properties of Gaussian charge models of electrolyte solutions by analysing the asymptotic behaviour of the pair correlation functions. We use a combination of Monte Carlo simulations with the hyper-netted chain integral equation closure, and the random phase approximation, to establish the conditions under which a screening length is well defined and the extent to which it matches the expected Debye length. For practical applications, for example, in dissipative particle dynamics, we are able to summarise our results in succinct rules-of-thumb which can be used for mesoscale modeling of electrolyte solutions. We thereby establish a solid foundation for future work, such as the systematic incorporation of specific ion effects.

Year:  2013        PMID: 23742516     DOI: 10.1063/1.4807057

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Molecular design of self-coacervation phenomena in block polyampholytes.

Authors:  Scott P O Danielsen; James McCarty; Joan-Emma Shea; Kris T Delaney; Glenn H Fredrickson
Journal:  Proc Natl Acad Sci U S A       Date:  2019-04-04       Impact factor: 11.205

2.  Tuning the Properties of Nanogel Surfaces by Grafting Charged Alkylamine Brushes.

Authors:  Zbyšek Posel; Paola Posocco
Journal:  Nanomaterials (Basel)       Date:  2019-10-24       Impact factor: 5.076

  2 in total

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