Ideal gas thermodynamic properties of propanone and 2‐butanone
Ideal gas thermodynamic properties of propanone and 2‐butanone
复制标题
丙酮和2-丁酮的理想气体热力学性质
DOI：
10.1063/1.555535
复制
发表时间：
1976
影响因子：
4.3
通讯作者：
B. Zwolinski
中科院分区：
文献类型：
--
作者：
J. Chao;B. Zwolinski
使用刚性转子和谐振子近似，通过统计机械程序计算了丙酮和 2-丁酮在 0 至 1500 K 温度范围和 1 atm 下的理想气体热力学性质（Cp0、S0、H0−H00、(H0−H00)/T、−(G′−H00)/T、ΔHf0、ΔGf0 和 log Kf）。通过使用由内旋转能级求和形成的配分函数来评估内旋转对热力学性质的贡献。计算的热容和熵与可用的实验值一致。
The ideal gas thermodynamic properties (Cp0, S0, H0−H00, (H0−H00)/T, −(G′−H00)/T,ΔHf0, ΔGf0, and log Kf) for propanone and 2‐butanone in the temperature range 0 to 1500 K and at 1 atm were calculated by statistical mechanical procedures, using rigid‐rotor and harmonic‐oscillator approximations. The internal rotation contributions to thermodynamic properties were evaluated by use of a partition function formed by summation of internal rotation energy levels. The calculated heat capacities and entropies are in agreement with the available experimental values.