Group contribution methods for the prediction of thermophysical and transport properties of ionic liquids
10.1002/aic.11737
Crossref journal-article
Wiley
AIChE Journal (311)
Abstract

AbstractThermophysical and transport properties of ionic liquids are required for the design of processes and products. Yet the experimental data available are scarce and often contradictory. Based on experimental data collected from the literature, group contribution methods were developed for the estimation of viscosity, electrical conductivity, thermal conductivity, refractive index, isobaric expansivity, and isothermal compressibility, of various families of ionic liquids. Using the Stokes–Einstein relation a correlation for the self‐diffusion coefficients with the viscosity is also proposed. The results of the proposed models show average absolute relative deviations generally of the same order of the experimental accuracy of the data. They are easy to use and can provide predictions of property values for ionic liquids never previously studied. The group contribution basis of these models will allow them to be extended to new groups of cations and anions as further data became available. © 2009 American Institute of Chemical Engineers AIChE J, 2009

Bibliography

Gardas, R. L., & Coutinho, J. A. P. (2009). Group contribution methods for the prediction of thermophysical and transport properties of ionic liquids. AIChE Journal, 55(5), 1274–1290. Portico.

Authors 2
  1. Ramesh L. Gardas (first)
  2. João A. P. Coutinho (additional)
References 125 Referenced 284
  1. 10.1021/ar7001304
  2. 10.1002/aic.690370905
  3. 10.1016/S0378-3812(99)00089-8
  4. 10.1016/j.fluid.2007.09.016
  5. 10.1016/j.fluid.2008.01.002
  6. 10.1016/j.fluid.2008.01.021
  7. 10.1016/j.fluid.2008.03.008
  8. 10.1021/ie800330v
  9. 10.1021/ic951325x
  10. 10.1149/1.1391827
  11. 10.1351/pac200072122275
  12. 10.1039/b103275p
  13. 10.1021/jp004132q
  14. 10.1002/1521-3765(20020816)8:16<3671::AID-CHEM3671>3.0.CO;2-9
  15. 10.1016/S0022-1139(02)00322-6
  16. 10.1016/j.jelechem.2003.12.050
  17. 10.1021/jp047480r
  18. 10.1016/j.jct.2005.03.013
  19. 10.1021/je050147b
  20. 10.1021/ie048825v
  21. 10.1021/jp044626d
  22. 10.1021/je060126x
  23. 10.1021/je060228n
  24. 10.1021/je050460d
  25. 10.1021/je060082s
  26. 10.1039/B513231B
  27. 10.1021/je0602824
  28. 10.1021/jp064159v
  29. 10.1007/s10765-006-0020-y
  30. 10.1039/b611139d
  31. 10.1016/j.electacta.2007.08.047
  32. 10.1021/je700029q
  33. 10.1021/je700032n
  34. 10.1021/je700370z
  35. 10.1021/je7003484
  36. 10.1016/j.jct.2006.12.005
  37. 10.1021/je060313v
  38. 10.1016/j.fluid.2006.12.016
  39. 10.1021/je060464y
  40. 10.1021/je700329a
  41. 10.1016/j.jct.2007.10.002
  42. 10.1016/j.ijheatfluidflow.2007.05.002
  43. 10.1016/j.tca.2004.11.013
  44. 10.1007/s10765-007-0241-8
  45. 10.1021/je700176d
  46. 10.1016/j.jct.2005.04.009
  47. 10.1021/jp067328k
  48. 10.1016/j.fluid.2006.01.022
  49. 10.1021/je060260h
  50. 10.1021/je700099w
  51. 10.1016/j.jct.2006.10.017
  52. 10.1016/j.jct.2007.04.010
  53. 10.1021/je700119m
  54. 10.1021/je060497d
  55. 10.1021/je700338t
  56. 10.1007/s10953-007-9231-5
  57. 10.1016/j.jct.2007.06.002
  58. 10.1016/j.jct.2005.07.020
  59. 10.1016/j.fluid.2004.01.002
  60. 10.1007/s10953-007-9186-6
  61. 10.1016/j.jct.2008.01.023
  62. 10.1039/b404933k
  63. 10.1016/j.fluid.2006.01.008
  64. 10.1021/je700126z
  65. 10.1021/je700362q
  66. 10.1016/j.jct.2007.09.011
  67. 10.1007/s10953-006-8939-y
  68. 10.1021/je700521t
  69. 10.1016/j.chroma.2007.11.109
  70. 10.1021/je050434f
  71. 10.1016/S0021-9614(03)00091-0
  72. 10.1021/je0302147
  73. 10.1021/je060123k
  74. 10.1021/je700318e
  75. 10.1021/je049534w
  76. 10.1021/je034102r
  77. 10.1021/je700224j
  78. 10.1016/j.fluid.2005.12.003
  79. 10.1016/j.fluid.2004.07.015
  80. 10.1021/je060222y
  81. 10.1021/je060247x
  82. 10.1021/je030191w
  83. 10.1021/je700037z
  84. 10.1021/je700076t
  85. 10.1016/j.jct.2006.01.016
  86. 10.1039/b400374h
  87. 10.1021/je700266n
  88. 10.1021/je0200517
  89. 10.1007/s10953-007-9159-9
  90. 10.1016/j.jct.2005.04.018
  91. 10.1016/j.jct.2006.01.013
  92. 10.1016/j.jct.2005.04.010
  93. 10.1021/je7001804
  94. 10.1021/je700205n
  95. 10.1016/j.fluid.2004.08.039
  96. 10.1021/je060190e
  97. 10.1016/j.jct.2005.03.002
  98. 10.3866/PKU.WHXB20060114 / Acta Phys Chim Sin / Thermodynamic properties of ionic liquid BMIAlCl4 by Tong J (2006)
  99. 10.1016/j.fluid.2004.09.020
  100. 10.1016/j.jct.2007.11.003
  101. 10.1016/j.molliq.2005.11.037
  102. 10.1002/cjoc.200690063
  103. 10.1016/j.fluid.2005.02.012
  104. {'key': 'e_1_2_6_105_2', 'first-page': '1873', 'article-title': 'Properties of ionic liquid BMIInCl4 of rare metal at room temperature', 'volume': '26', 'author': 'Yang JZ', 'year': '2005', 'journal-title': 'Chem J Chin Univ'} / Chem J Chin Univ / Properties of ionic liquid BMIInCl4 of rare metal at room temperature by Yang JZ (2005)
  105. 10.1021/je700670k
  106. 10.1021/je010242u
  107. 10.1021/jp077259p
  108. 10.1023/A:1020217612751
  109. 10.1021/jp046404l
  110. 10.1021/je050358g
  111. 10.1021/je7003098
  112. {'key': 'e_1_2_6_113_2', 'series-title': 'NIST Standard Reference Database', 'author': 'NIST Ionic Liquids Database, ILThermo', 'year': '2006'} / NIST Standard Reference Database by NIST Ionic Liquids Database, ILThermo (2006)
  113. {'key': 'e_1_2_6_114_2', 'volume-title': 'The Properties of Gases and Liquids', 'author': 'Poling BE', 'year': '2000'} / The Properties of Gases and Liquids by Poling BE (2000)
  114. {'key': 'e_1_2_6_115_2', 'first-page': '207', 'article-title': 'Organic solutions‐ and ionisation means. III. Chapter: internal friction and its connection with conductivity', 'volume': '55', 'author': 'Walden P', 'year': '1906', 'journal-title': 'Z Phys Chem'} / Z Phys Chem / Organic solutions‐ and ionisation means. III. Chapter: internal friction and its connection with conductivity by Walden P (1906)
  115. 10.1039/df9613200218
  116. 10.1016/j.molliq.2005.06.001
  117. {'key': 'e_1_2_6_118_2', 'volume-title': 'Transport‐vapor pressure relations, and fragility in ionic liquids: The Front and Future of Material Development', 'author': 'Angell CA', 'year': '2003'} / Transport‐vapor pressure relations, and fragility in ionic liquids: The Front and Future of Material Development by Angell CA (2003)
  118. 10.1016/j.molliq.2006.08.023
  119. 10.1002/9780470172605
  120. 10.1016/j.molliq.2008.01.008
  121. 10.1149/1.2409040
  122. 10.1039/b800366a
  123. 10.1002/ceat.200700276
  124. 10.1021/je060203o
  125. 10.1016/j.jct.2009.01.012
Dates
Type When
Created 16 years, 4 months ago (April 7, 2009, 4:30 p.m.)
Deposited 1 year, 10 months ago (Sept. 28, 2023, 1:16 p.m.)
Indexed 4 weeks, 2 days ago (July 25, 2025, 6:44 a.m.)
Issued 16 years, 4 months ago (April 7, 2009)
Published 16 years, 4 months ago (April 7, 2009)
Published Online 16 years, 4 months ago (April 7, 2009)
Published Print 16 years, 3 months ago (May 1, 2009)
Funders 0

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@article{Gardas_2009, title={Group contribution methods for the prediction of thermophysical and transport properties of ionic liquids}, volume={55}, ISSN={1547-5905}, url={http://dx.doi.org/10.1002/aic.11737}, DOI={10.1002/aic.11737}, number={5}, journal={AIChE Journal}, publisher={Wiley}, author={Gardas, Ramesh L. and Coutinho, João A. P.}, year={2009}, month=apr, pages={1274–1290} }