Thermodynamic data of a promising magnetic material MnCr2O4 and thermodynamic analysis of its application process

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-08-30 DOI:10.1016/j.calphad.2024.102728

Miao Liu , Hang Su , Kun Song , Rucheng Wang , Xinyue Li , Liwen Hu , Xuewei Lv , Yuntao Xin

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Abstract

MnCr₂O₄, known for its unique structure and properties, finds wide applications in catalysts, magnetic materials, electrode materials, and other fields. In this study, high-purity MnCr₂O₄ samples were synthesized via the liquid-phase combustion method and characterized. Thermodynamic data within the temperature range of 350–1350 K was predicted using NKR, and experimental thermodynamic data within the temperature ranges of 15–300 K and 623–1273 K were determined using a PPMS and drop calorimeter. Based on this data, the heat capacity as a function of temperature for MnCr₂O₄ was calculated: $C_{p} = 161.0157 + 0.01864 T - 1589402.7435 T^{- 2} (J / mol \cdot K) (623 \sim 1273 K)$ , along with the enthalpy change, entropy change, and Gibbs energy change in the temperature range of 300∼1250 K. Thermodynamic analysis of the synthesis of MnCr₂O₄ in the field of materials and its treatment in metallurgy using experimental and computational results. This study addresses the thermodynamic knowledge gaps of MnCr₂O₄ and provides a valuable reference for its application in production practice.

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有前途的磁性材料 MnCr2O4 的热力学数据及其应用过程的热力学分析

MnCr2O4 以其独特的结构和性质而闻名，在催化剂、磁性材料、电极材料等领域有着广泛的应用。本研究采用液相燃烧法合成了高纯度 MnCr2O4 样品，并对其进行了表征。使用 NKR 预测了 350-1350 K 温度范围内的热力学温度数据，并使用 PPMS 和滴定量热仪测定了 15-300 K 和 623-1273 K 温度范围内的实验热力学温度数据。根据这些数据，计算出了 MnCr2O4 的热容量与温度的函数关系：Cp=161.0157+0.01864T-1589402.7435T-2(J/mol-K)(623∼1273K) 以及 300∼1250 K 温度范围内的焓变、熵变和吉布斯能变。该研究解决了 MnCr2O4 热力学知识的空白，为其在生产实践中的应用提供了有价值的参考。

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.