{
  "id": "cond-mat/0301337",
  "version": "v1",
  "published": "2003-01-19T22:53:00.000Z",
  "updated": "2003-01-19T22:53:00.000Z",
  "title": "Different thermodynamic pathways to the solvation free energy of a spherical cavity in a hard sphere fluid",
  "authors": [
    "Yng-gwei Chen",
    "John D. Weeks"
  ],
  "comment": "10 pages, 4 figures; submitted to J. Chem. Phys",
  "doi": "10.1063/1.1563592",
  "categories": [
    "cond-mat.stat-mech",
    "cond-mat.soft"
  ],
  "abstract": "This paper determines the excess free energy associated with the formation of a spherical cavity in a hard sphere fluid. The solvation free energy can be calculated by integration of the structural changes induced by inserting the cavity using a number of different exact thermodynamic pathways. We consider three such pathways, including a new density route derived here. Structural information about the nonuniform hard sphere fluid in the presence of a general external field is given by the recently developed hydrostatic linear response (HLR) integral equation. Use of the HLR results in the different pathways gives a generally accurate determination of the solvation free energy for cavities over a wide range of sizes, from zero to infinity. Results for a related method, the Gaussian Field Model, are also discussed.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2003-01-19T22:53:00.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "solvation free energy",
      "spherical cavity",
      "thermodynamic pathways",
      "nonuniform hard sphere fluid",
      "excess free energy"
    ],
    "tags": [
      "journal article"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 10,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}