Effective Pair Potentials of Liquid CuBr Estimated from the Anomalous X-Ray Scattering Date

概要

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We have proposed a method for calculating the effective pair potentials of molten salt frommeasured structural data in which a long-range Coulombic interaction is important [K. Omoteand Y. Waseda: J. Phys. Soc. Jpn. 66 (1997)]. By t'tpplying this method, the effective pair po-tentials of liquid CtrBr have been successfully estimated from the experimental partial strtnctturefactors obtained by anonaalotrs X-ray scattering. The resultant potentials show two characteristicfeatures. One is reunarkable shielding for the Ctr-Cu Coulornb repulsion in its nearest neighborregion. This might be a possible origin for the absence of marked structure in the Cu -Cu corre-lation and the penetration of Ctr ions into the first like-Jon coordination shell. The other is thedeviation from the Cotulomb potential in the range of 0.4 N 0.9 nm in the interactions of Cu -Ctmand Cu -Br pairs, stmggesting a certain correlation to a pre-peak found in the Ctr -Ctu structurefactor at about 10 nm '.
社団法人日本物理学会の論文
1997-10-15