xCoyMnzO2; The group contribution method; Mathematical model; ΔHθf,298; ΔGθf,298"/> θf,298 and ΔGθf,298of 56 solid inorganic compounds were first estimated by the group contribution method. The estimated ΔHθf,298 and ΔGθf,298 were compared with the literature values, and the absolute value of the relative error is within 4%. Based on the group contribution method, a mathematical model for estimating LiNixCoyMnzO2 cathode materials ΔHθf,298 and ΔGθf,298 was constructed, and LiNi0.6Co0.2Mn0.2O2, LiNi0.5Co0.2Mn0.3O2, LiNi0.8Co0.1Mn0.1O2 and LiNi1/3Co1/3Mn1/3O2 were constructed, ΔHθf,298 are -705.39kJ.mol-1, -703.90kJ.mol-1, -695.67kJ.mol-1 and -705.17kJ.mol-1; ΔGθf,298are -647.98kJ.mol-1, -640.04kJ.mol-1, -631.10kJ.mol-1 and -642.41kJ.mol-1, respectively."/>

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Estimation of ΔHθf,298 and ΔGθf,298 of LiNixCoyMnzO2cathode material for lithium ion power batterybased on the group contribution method
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State Key Laboratory of Advance Processing and Recycling of Nonferrous Metals,Lanzhou University of Technology

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    Abstract:

    The ΔHθf,298 and ΔGθf,298of 56 solid inorganic compounds were first estimated by the group contribution method. The estimated ΔHθf,298 and ΔGθf,298 were compared with the literature values, and the absolute value of the relative error is within 4%. Based on the group contribution method, a mathematical model for estimating LiNixCoyMnzO2 cathode materials ΔHθf,298 and ΔGθf,298 was constructed, and LiNi0.6Co0.2Mn0.2O2, LiNi0.5Co0.2Mn0.3O2, LiNi0.8Co0.1Mn0.1O2 and LiNi1/3Co1/3Mn1/3O2 were constructed, ΔHθf,298 are -705.39kJ.mol-1, -703.90kJ.mol-1, -695.67kJ.mol-1 and -705.17kJ.mol-1; ΔGθf,298are -647.98kJ.mol-1, -640.04kJ.mol-1, -631.10kJ.mol-1 and -642.41kJ.mol-1, respectively.

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[yang lixin, wang dahui, chen huaijing, zhang xiaodong, yu yueshan, xu li. Estimation of ΔHθf,298 and ΔGθf,298 of LiNixCoyMnzO2cathode material for lithium ion power batterybased on the group contribution method[J]. Rare Metal Materials and Engineering,2020,49(1):161~168.]
DOI：10.12442/j. issn.1002-185X.20181234

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History
  • Received:December 10,2018
  • Revised:January 18,2019
  • Adopted:March 08,2019
  • Online: February 16,2020
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