翻訳と辞書 Words near each other ・ Kirovsk, Leningrad Oblast ・ Kirovsk, Luhansk Oblast ・ Kirovsk, Murmansk Oblast ・ Kirovsk, Russia ・ Kirovsk-Apatity Airport ・ Kirkwood, Glenn County, California ・ Kirkwood, Illinois ・ Kirkwood, Kansas ・ Kirkwood, Missouri ・ Kirkwood, New Brunswick ・ Kirkwood, New Jersey ・ Kirkwood, New York ・ Kirkwood, Ohio ・ Kirkwood, Pennsylvania ・ Kirkwood-Cohansey aquifer ・ Kirkwood–Buff solution theory ・ Kirkwood–Webster Groves Turkey Day Game ・ Kirky ・ Kirlampudi ・ Kirley ・ Kirlian ・ Kirlian Camera ・ Kirlian Camera (band) ・ Kirlian photography ・ Kirlian Selections ・ Kirlikmüslimhoca, Kurucaşile ・ Kirloskar Brothers ・ Kirloskar Group ・ Kirloskar Oil Engines Limited ・ Kirloskarwadi Dictionary Lists mini英和辞書 mini和英辞書 Webster 1913 Latin-English FOLDOC Wikipedia English ウィキペディア

翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Kirkwood–Buff solution theory ： ウィキペディア英語版 Kirkwood–Buff solution theory The Kirkwood–Buff (KB) solution theory, due to John G. Kirkwood and Frank P. Buff, links macroscopic (bulk) properties to microscopic (molecular) details. Using statistical mechanics, the KB theory derives thermodynamic quantities from pair correlation functions between all molecules in a multi-component solution. The KB theory proves to be a valuable tool for validation of molecular simulations, as well as for the molecular-resolution elucidation of the mechanisms underlying various physical processes. For example, it has numerous applications in biologically relevant systems. The reverse process is also possible; the so-called reverse Kirkwood–Buff (reverse-KB) theory, due to Arieh Ben-Naim, derives molecular details from thermodynamic (bulk) measurements. This advancement allows the use of the KB formalism to formulate predictions regarding microscopic properties on the basis of macroscopic information. == The radial distribution function == The radial distribution function (RDF), also termed the pair distribution function or the pair correlation function, is a measure of local structuring in a mixture. The RDF between components $i$ and $j$ positioned at $\backslash boldsymbol\_i$ and $\backslash boldsymbol\_i$, respectively, is defined as: : $g\_(\backslash boldsymbol)=\backslash frac)\}\}$ where $\backslash rho\_\; (\backslash boldsymbol)$ is the local density of component $j$ relative to component $i$, the quantity $\backslash rho\_^\backslash text$ is the density of component $j$ in the bulk, and $\backslash boldsymbol=\; |\backslash boldsymbol\_i-\backslash boldsymbol\_j|$ is the inter-particle radius vector. Necessarily, it also follows that: : $g\_\; (\backslash boldsymbol)\; =\; g\_(\backslash boldsymbol)$ Assuming spherical symmetry, the RDF reduces to: : $g\_(r)=\backslash frac\}$ where $r=|\backslash boldsymbol|$ is the inter-particle distance. In certain cases, it is useful to quantify the intermolecular correlations in terms terms of free energy. Specifically, the RDF is related to the potential of mean force (PMF) between the two components by: : $PMF\_(r)=-kT\backslash ln(g\_)$ where the PMF is essentially a measure of the effective interactions between the two components in the solution. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Kirkwood–Buff solution theory」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.