On the use of departure function correlations for hydrocarbon isobaric liquid phase heat capacity calculation

2015 ◽  
Vol 385 ◽  
pp. 182-195 ◽  
Author(s):  
Nafiseh Dadgostar ◽  
John M. Shaw
Author(s):  
Dinesh Varshney ◽  
Dinesh Choudhary

In this paper, we develop a theoretical model for quantitative analysis of temperature-dependent heat capacity calculation of the magnetoresistance compounds RMnO 3 ( R = La , Nd ). The results on heat capacity obtained by us are in good agreement with the measured values. An effective interionic interaction potential (EIoIP) with the long-range Coulomb, van der Waals (vdW) interaction and short-range repulsive interaction up to second neighbor ions within the Hafemeister and Flygare approach was formulated to estimate the Debye and Einstein temperature and was found to be consistent with the available experimental data. In addition, the properties studied are the cohesive energy, molecular force constant, Restrahlen frequency and Gruneisen parameter. After characterizing thermal properties, a systematic investigation of elastic behavior has been undertaken and it has been found that the elastic moduli are decreasing continuously with increasing temperature.


2020 ◽  
Vol 683 ◽  
pp. 178464
Author(s):  
Yi-jian He ◽  
Lin-feng He ◽  
Shu-peng Zheng ◽  
Guang-ming Chen

2014 ◽  
Vol 376 ◽  
pp. 64-68 ◽  
Author(s):  
Neng Gao ◽  
Yunyun Jiang ◽  
Jie Wu ◽  
Yijian He ◽  
Guangming Chen

2019 ◽  
Vol 33 (14) ◽  
pp. 1950140
Author(s):  
Chokri Hadj Belgacem

The Stirling’s estimation to [Formula: see text](N!) is typically introduced to students as a step in the derivation of the statistical expression for the heat capacity. However, naïve application of this estimation leads to wrong conclusions. In this paper, firstly, the heat capacity of some semiconductor compounds was calculated using exponential Boltzmann distribution and compared with experimental data. It has shown a disagreement between experimental results and those calculated. Secondly, by applying the more exact Stirling formula, an analytical formulation of Boltzmann statistics using Lambert W function is shown to be a very good model and proves an excellent agreement between calculated and experimental data for heat capacity over the entire temperature range.


2020 ◽  
Vol 305 ◽  
pp. 112847
Author(s):  
Magdalena Bendová ◽  
Zdenĕk Wagner ◽  
Milen G. Bogdanov ◽  
Maja Čanji ◽  
Nikola Zdolšek

2004 ◽  
Vol 40 (5) ◽  
pp. 644-649 ◽  
Author(s):  
A. A. Ivanova ◽  
V. A. Palyulin ◽  
A. N. Zefirov ◽  
N. S. Zefirov

Silicon ◽  
2018 ◽  
Vol 11 (3) ◽  
pp. 1673-1676
Author(s):  
Olfa Boussaid ◽  
Chokri Hadj Belgacem ◽  
Mustapha Fnaiech

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