Solvent fluctuations around solvophobic, solvophilic and patchy nanostructures and the accompanying solvent mediated interactions
journal contributionposted on 2017-03-22, 09:51 authored by Blesson Chacko, Robert Evans, Andrew ArcherAndrew Archer
Using classical density functional theory (DFT) we calculate the density profile ρ(r) and local compressibility χ(r) of a simple liquid solvent in which a pair of blocks with (microscopic) rectangular cross-section are immersed. We consider blocks that are solvophobic, solvophilic and also ones that have both solvophobic and solvophilic patches. Large values of χ(r) correspond to regions in space where the liquid density is fluctuating most strongly. We seek to elucidate how enhanced density fluctuations correlate with the solvent mediated force between the blocks, as the distance between the blocks and the chemical potential of the liquid reservoir vary. For sufficiently solvophobic blocks, at small block separations and small deviations from bulk gas-liquid coexistence, we observe a strongly attractive (near constant) force, stemming from capillary evaporation to form a low density gas-like intrusion between the blocks. The accompanying χ(r) exhibits structure which reflects the incipient gas-liquid interfaces that develop. We argue that our model system provides a means to understanding the basic physics of solvent mediated interactions between nanostructures, and between objects such as proteins in water, that possess hydrophobic and hydrophilic patches.
BC acknowledges the support of EPSRC and the work of RE was supported by a Leverhulme Emeritus Fellowship: EM-2016-031.
- Mathematical Sciences
Published inJournal of Chemical Physics
CitationCHACKO, B., EVANS, R. and ARCHER, A.J., 2017. Solvent fluctuations around solvophobic, solvophilic and patchy nanostructures and the accompanying solvent mediated interactions. The Journal of Chemical Physics, 146 (12), 124703.
Publisher© The Authors. Published by AIP Publishing.
- AM (Accepted Manuscript)
Publisher statementThis work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/
NotesThis is the peer reviewed version of the following article: CHACKO, B., EVANS, R. and ARCHER, A.J., 2017. Solvent fluctuations around solvophobic, solvophilic and patchy nanostructures and the accompanying solvent mediated interactions. The Journal of Chemical Physics, 146 (12), 124703, which has been published in final form at http://dx.doi.org/10.1063/1.4978352.