Citation: SHEN Ai-Jing, DUAN Yuan-Yuan, YANG Zhen. pVT Properties of Alkanes Using Crossover VTSRK Equation of State[J]. Acta Physico-Chimica Sinica, ;2014, 30(8): 1426-1431. doi: 10.3866/PKU.WHXB201405231 shu

pVT Properties of Alkanes Using Crossover VTSRK Equation of State

1.
Beijing Key Laboratory for CO₂ Utilization and Reduction Technology, Key Laboratory of Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084, P. R. China

Received Date: 24 March 2014
Available Online: 23 May 2014
Fund Project:

Accurate predictions of the pVT properties of alkanes are very important since they are associated with many fundamental aspects in energy, power engineering, and chemical engineering fields. Predicting the properties of alkanes in the critical region, however, remains challenging. In this work, a crossover volume translation Soave-Redlich-Kwong (SRK) equation of state (EoS) was developed for C1 to C20 alkanes, in which volume translation and crossover methods were combined to improve the description of saturated liquid densities and thermodynamic properties in the critical region. The parameters of the crossover equation are set as constants or expressed as functions of critical parameters and the acentric factor. Comparisons showed that the average deviations of the crossover volume translation SRK equation results for C1 to C20 alkanes were 1.01% for vapor pressure, 1.83% for saturated vapor density, and 0.93% for saturated liquid density, and these deviations are much lower than those obtained with the SRK equation of state. In addition, prediction results for properties in the single phase region and the critical region from the crossover equation were in better agreement with experimental data than those from the SRK equation. The crossover volume translation SRK equation was also extended to the pVT properties of cycloalkanes (cyclopropane, cyclopentane, and cyclohexane), benzene and toluene. The prediction results were also satisfactory, demonstrating the superior predictive ability of the crossover equation of state.
- Alkane,
- pVT property,
- Critical region,
- Crossover,
- Volume translation,
- SRK equation of state
1. [1]
  
  (1) Meng, X. Z.; Jia, M.;Wang, T. Y. Fuel 2013, 111, 216. doi: 10.1016/j.fuel.2013.04.050
2. [2]
  (2) Sisti, J.; DesJardin, P. E. Combust. Theor. Model. 2013, 17 (4), 657. doi: 10.1080/13647830.2013.791725
3. [3]
  (3) Li, L. Y.; Sun, F. F.; Chen, Z. T.; Cai, J. Acta Phys. -Chim. Sin. 2013, 29 (11), 2332. [李丽妍, 孙方方, 陈志同, 蔡钧. 物理化学学报, 2013, 29 (11), 2332.] doi: 10.3866/PKU.WHXB201307311
4. [4]
  (4) Singla, G.; Scouflaire, P.; Rolon, C.; Candel, S. P. Combust. Inst. 2005, 30, 2921. doi: 10.1016/j.proci.2004.08.063
5. [5]
  (5) Soave, G. Chem. Eng. Sci. 1972, 27 (6), 1197. doi: 10.1016/0009-2509(72)80096-4
6. [6]
  (6) Peng, D.; Robinson, D. B. Ind. Eng. Chem. Fundamen. 1976, 15 (1), 59. doi: 10.1021/i160057a011
7. [7]
  (7) Buecker, D.;Wagner,W. J. Phys. Chem. Ref. Data 2006, 35 (2), 929. doi: 10.1063/1.1901687
8. [8]
  (8) Martin, J. J. Ind. Eng. Chem. 1967, 59 (12), 34. doi: 10.1021/ie50696a008
9. [9]
  (9) Peneloux, A.; Rauzy, E.; Freze, R. Fluid Phase Equilib. 1982, 8 (1), 7. doi: 10.1016/0378-3812(82)80002-2
10. [10]
  (10) Lin, H.; Duan, Y. Y. Fluid Phase Equilib. 2005, 233 (2), 194. doi: 10.1016/j.fluid.2005.05.008
11. [11]
  (11) Lin, H.; Duan, Y. Y.; Zhang, T.; Huang, Z. M. Ind. Eng. Chem. Res. 2006, 45 (5), 1829. doi: 10.1021/ie051058v
12. [12]
  (12) Ji,W. R.; Lempe, D. A. Fluid Phase Equilib. 1997, 130 (1-2), 49. doi: 10.1016/S0378-3812(96)03190-1
13. [13]
  (13) Pfohl, O. Fluid Phase Equilib. 1999, 163 (1), 157. doi: 10.1016/S0378-3812(99)00199-5
14. [14]
  (14) Yelash, L. V.; Kraska, T. AIChE J. 2003, 49 (6), 1569. doi: 10.1002/aic.690490620
15. [15]
  (15) Chapela, G. A.; Rowlinso, J. S. J. Chem. Soc . Faraday Trans I 1974, 70, 584.
16. [16]
  (16) Fox, J. R. Fluid Phase Equilib. 1983, 14, 45.
17. [17]
  (17) Salvino, L.W.; White, J. A. J. Chem. Phys. 1992, 96 (6), 4559. doi: 10.1063/1.462791
18. [18]
  (18) Kiselev, S. B. Fluid Phase Equilib. 1998, 147 (1-2), 7. doi: 10.1016/S0378-3812(98)00222-2
19. [19]
  (19) Kiselev, S. B.; Ely, J. F. Fluid Phase Equilib. 2004, 222, 149.
20. [20]
  (20) Kiselev, S. B.; Ely, J. F. Fluid. Phase Equilib. 2007, 252 (1-2), 57. doi: 10.1016/j.fluid.2006.10.028
21. [21]
  (21) Kiselev, S. B.; Ely, J. F. Ind. Eng. Chem. Res. 1999, 38 (12), 4993. doi: 10.1021/ie990387i
22. [22]
  (22) Xu, X. H.; Duan, Y. Y.; Yang, Z. Ind. Eng. Chem. Res. 2012, 51 (18), 6580. doi: 10.1021/ie300112j
23. [23]
  (23) Sengers, J. V.; Shanks, J. G. J. Stat. Phys. 2009, 137 (5-6), 857. doi: 10.1007/s10955-009-9840-z
24. [24]
  (24) Kiselev, S. B.; Ely, J. F. Chem. Eng. Sci. 2006, 61 (15), 5107. doi: 10.1016/j.ces.2006.03.044
25. [25]
  (25) Hu, Z. Q.; Yang, J. C.; Li, Y. G. Fluid Phase Equilib. 2003, 205 (1), 25. doi: 10.1016/S0378-3812(02)00307-2
26. [26]
  (26) Kiselev, S. B.; Ely, J. F. J. Phys. Chem. C 2007, 111 (43), 15969. doi: 10.1021/jp073706p
27. [27]
  (27) Lemmon, E.W.; Huber, M. L.; McLinden, M. O. NIST Standard Reference Database 23 : Reference Fluid Thermodynamic and Transport Properties-REFPROP, version 9.0; Gaithersburg: National Institute of Standards and Technology, 2010.
28. [28]
  (28) DIPPR Thermophysical Properties Laboratory 350CB, DIPPR Project 801 Evaluated Process Design Data; Brigham Young University: Provo, UT 84602, 2010.
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沈阳化工大学材料科学与工程学院沈阳 110142