Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2008, Vol. 19 ›› Issue (3): 152 doi: 10.1016/S1001-8042(08)60042-1


Prediction of thermodynamic properties of actinide and lanthanide compounds

LU Chunhai1,2,* NI Shijun2 SUN Ying 1 CHEN Wenkai3 ZHANG Chengjiang2   

  1. 1 Chengdu University of Technology, Chengdu 610059, China
    2 China Academy of Engineering Physics, P.O. Box 919-71, Mianyang 621900, China
    3 Department of Chemistry, Fuzhou University, Fuzhou 350002, China
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LU Chunhai NI Shijun SUN Ying CHEN Wenkai ZHANG Chengjiang . Prediction of thermodynamic properties of actinide and lanthanide compounds.Nuclear Science and Techniques, 2008, 19(3): 152     doi: 10.1016/S1001-8042(08)60042-1

Abstract: 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.

Key words: QSPR, Actinide, Lanthanide, Compound, Thermodynamics property