title: General impossibility to "prescribe" diffusion for a geminate pair in a central force field and peculiarities of geminate dynamics in ionic liquids.
abstract: Given the difficulty of obtaining analytical solutions for the diffusion of interacting geminate pairs of (ion) radicals in liquids, it is common, following the original treatment of Mozumder, to "prescribe" this diffusion. A demonstration is given that such a prescription is impossible for any interaction potential other than the Coulomb potential. This demonstration suggests the inadequacy of this common approach to modeling geminate pair and spur dynamics in the largest emerging class of organic solvents: room-temperature ionic liquids.
authors.affiliation: Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States. shkrob@anl.gov
authors.forename: Ilya A
authors.initials: IA
authors.lastname: Shkrob
mesh_terms: D004058:Diffusion; D052578:Ionic Liquids / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D012997:Solvents / Q000737:chemistry; D013696:Temperature
chemical_list: D052578:Ionic Liquids; D012997:Solvents