Influence of morphology of colloidal nanoparticle gels on ion transport and rheology

dc.creatorKadulkar, Sanket
dc.creatorBanerjee, Debapriya
dc.creatorKhabaz, Fardin
dc.creatorBonnecaze, Roger T.
dc.creatorTruskett, Thomas M,
dc.creatorGanesan, Venkat
dc.description.abstractWe develop a simple model to probe the ion transport and mechanical properties of low volume fraction colloidal nanoparticle gels. Specifically, we study the influence of the morphology of gels on ion diffusion and the corresponding roles of affinity to and enhanced ion transport along nanoparticle surfaces. We employ kinetic Monte Carlo simulations to simulate ion transport in the colloidal gels, and we perform nonequilibrium molecular dynamics to study their viscoelastic behavior. Our results indicate that in the presence of enhanced diffusion pathways for ions along the particle surface, morphology has a significant influence on the diffusivity of ions. We demonstrate that some gel morphologies can exhibit simultaneously enhanced ion transport and mechanical properties, thus illustrating a strategy to decouple ion transport and mechanical strength in electrolytes.
dc.description.departmentCenter for Dynamics and Control of Materials
dc.description.sponsorshipThis work was primarily supported by the NSF through the Center for Dynamics and Control of Materials: an NSF Materials Research Science and Engineering Center (MRSEC) under Cooperative Agreement No. DMR-1720595. The authors acknowledge Texas Advanced Computing Center (TACC) for providing computing resources that have contributed to the research results reported within this paper. We also acknowledge the Welch Foundation (Grant Nos. F-1599 and F-1696) for support.
dc.identifier.citationKadulkar, S; Banerjee, D; Khabaz, F; Bonnecaze, RT; Truskett, TM; Ganesan, V. Influence of morphology of colloidal nanoparticle gels on ion transport and rheology. J. Chem. Phys. 2019, 150(21), 214903. DOI: 10.1063/1.5099056.
dc.identifier.doiDOI: 10.1063/1.5099056.
dc.publisherAIP Publishing
dc.relation.ispartofCenter for Dynamics and Control of Materials Publications
dc.titleInfluence of morphology of colloidal nanoparticle gels on ion transport and rheology

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