01809nas a2200193   4500008004100000022001400041245017000055210006900225260007100294300001600365490000800381520097700389100002201366700002101388700002001409700002201429700003401451856013001485       2015                        eng d  a1520-610600aDiffusion of small solute particles in viscous liquids: cage diffusion, a result of decoupling of solute-solvent dynamics, leads to amplification of solute diffusion0 aDiffusion of small solute particles in viscous liquids cage diff  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a11169-111750 v1193 a<p>We study the diffusion of small solute particles through solvent by keeping the solute solvent interaction repulsive and varying the solvent properties. The study involves computer simulations, development of a new model to describe diffusion of small solutes in a solvent, and also mode coupling theory (MCT) calculations. In a viscous solvent, a small solute diffuses via coupling to the solvent hydrodynamic modes and also through the transient cages formed by the solvent. The model developed can estimate the independent contributions from these two different channels of diffusion. Although the solute diffusion in all the systems shows an amplification, the degree of it increases with solvent viscosity. The model correctly predicts that when the solvent viscosity is high, the solute primarily diffuses by exploiting the solvent cages. In such a scenario the MCT diffusion performed for a static solvent provides a correct estimation of the cage diffusion.</p>1 aAcharya, Sayantan1 aNandi, Manoj, K.1 aMandal, Arkajit1 aSarkar, Sucharita1 aBhattacharyya, Sarika, Maitra  uhttps://library.ncl.res.in/content/diffusion-small-solute-particles-viscous-liquids-cage-diffusion-result-decoupling-solute-0