Low-temperature heat capacity, phase transitions and thermodynamic functions of 2-furfurylamine

被引:0
作者
Druzhinina, Anna I. [1 ]
Dorofeeva, Olga V. [1 ]
Tarazanov, Sergey V. [2 ]
Lukyanova, Vera A. [1 ]
Ilin, Dmitriy Yu. [1 ]
机构
[1] Lomonosov Moscow State Univ, Dept Chem, Moscow 119991, Russia
[2] All Russia Res Inst Oil Refining, 6-2 Aviamotornaya St, Moscow 111116, Russia
关键词
2-furfurylamine; Adiabatic calorimetry; Heat capacity; Phase transitions; Thermodynamic functions;
D O I
10.1016/j.tca.2024.179915
中图分类号
O414.1 [热力学];
学科分类号
摘要
Heat capacities of 2-furfurylamine were measured by low-temperature adiabatic calorimetry in the temperature range from 5.6 to 356.1 K. Two phase transitions, solid phase transition and melting, were revealed at temperatures of 180.4 K and 228.17 K. Thermodynamic characteristics determined from experimental data show that the mechanism of solid phase transition is intermediate between order-disorder and displacive type. This conclusion is in agreement with X-ray crystallography data (Seidel et al., 2019). The standard thermodynamic functions in the condensed state (molar heat capacity, enthalpy, entropy and Gibbs energy) were calculated in the temperature range 5 - 350 K. Using the determined value of entropy for liquid 2-furfurylamine and available value of fH degrees m(l), the properties of formation, fS degrees m(l) and fG degrees m(l), were obtained. The thermodynamic functions of gaseous 2-furfurylamine were calculated taking into account the internal rotation in this molecule. The required molecular constants were determined from quantum chemical calculations.
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页数:8
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