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dc.contributor.authorSamanta, Rituparna
dc.contributor.authorGanesan, Venkat
dc.date.accessioned2018-11-11T08:56:51Z
dc.date.available2018-11-11T08:56:51Z
dc.date.issued2018
dc.identifier.citationSamanta R, Ganesan V (2018) Influence of dielectric inhomogeneities on the structure of charged nanoparticles in neutral polymer solutions. Soft Matter 14: 3748–3759. Available: http://dx.doi.org/10.1039/c8sm00298c.
dc.identifier.issn1744-683X
dc.identifier.issn1744-6848
dc.identifier.doi10.1039/c8sm00298c
dc.identifier.urihttp://hdl.handle.net/10754/629766
dc.description.abstractWe study the structural characteristics of a system of charged nanoparticles in a neutral polymer solution while accounting for the differences in the dielectric constant between the particles, polymer and the solvent. We use a hybrid computational methodology involving a combination of single chain in mean-field simulations and the solution of the Poisson's equation for the electrostatic field. We quantify the resulting particle structural features in terms of radial distribution function among particles as a function of the dielectric contrast, particle charge, particle volume fraction and polymer concentration. In the absence of polymers, charged macroions experience increased repulsion with a lowering of the ratio of particle to solvent dielectric constant. The influence of the dielectric contrast between the particle and the solvent however diminishes with an increase in the particle volume fraction and/or its charge. In the presence of neutral polymers, similar effects manifest, but with the additional physics arising from the fact that the polymer-induced interactions are influenced by the dielectric contrast of the particle and solvent.
dc.description.sponsorshipWe are grateful to Dr Jian Qin, Dr Issei Nakamura and Dr Victor Pryamitsyn for their valuable comments on a preprint of this article. We acknowledge funding in part by grants from the Robert A. Welch Foundation (Grant F1599), the National Science Foundation (DMR-1721512), to King Abdullah University of Science and Technology (OSR-2016-CRG5-2993-1). Acknowledgment is also made to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research (56715-ND9). We acknowledge the Texas Advanced Computing Center (TACC) at The University of Texas at Austin for computing resources that contributed to the research results reported within this paper.
dc.publisherRoyal Society of Chemistry (RSC)
dc.titleInfluence of dielectric inhomogeneities on the structure of charged nanoparticles in neutral polymer solutions
dc.typeArticle
dc.identifier.journalSoft Matter
dc.contributor.institutionDepartment of Chemical Engineering, University of Texas at Austin, Austin, USA
kaust.grant.numberOSR-2016-CRG5-2993-1


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