Prediction of thermodynamic properties of actinide and lanthanide compounds

RADIOCHEMISTRY, RADIOPHARMACEUTICALS AND NUCLEAR MEDICINE

Prediction of thermodynamic properties of actinide and lanthanide compounds

LU Chunhai，

NI Shijun，

SUN Ying，

CHEN Wenkai，

ZHANG Chengjiang

Nuclear Science and Techniques

Vol.19, No.3

pp.152-158

Published in print 20 Jun 2008

DOI：10.1016/S1001-8042(08)60042-1

CLC：O614;0642

30800

Several relationship models for thermodynamic functions of actinide and lanthanide compounds are built. The descriptors such as the difference of atomic radii between metal atoms and nonmetal atoms and the molecular mass are used in quantitative structure-activity/property relationships. The relative errors for entropy and heat capacity are less than 20% in the majority of gaseous compounds. Similar results are obtained from solid compounds.

QSPRActinideLanthanideCompoundThermodynamics property

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