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Journal articles on the topic 'Alkanes – Thermodynamics'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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1

González, J. A., U. Domanska, and J. Lachwa. "Thermodynamics of binary mixtures containing a very strongly polar compound — Part 3: DISQUAC characterization of NMP + organic solvent mixtures." Canadian Journal of Chemistry 81, no. 12 (2003): 1451–61. http://dx.doi.org/10.1139/v03-159.

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Binary mixtures of 1-methyl pyrrolidin-2-one (NMP) with alkanes, benzene, toluene, 1-alkanol, or 1-alkyne have been investigated in the framework of the DISQUAC model. The reported interaction parameters change regularly with the molecular structure of the mixture components. The model consistently describes a set of thermodynamic properties, including liquid–liquid equilibria, vapor–liquid equilibria, solid–liquid equilibria, and molar excess enthalpies. A brief comparison of the DISQUAC results and those obtained from the UNIFAC and ERAS models is presented. The experimental excess enthalpie

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2

Bhattacharyya, S. N., M. Costas, D. Patterson, and H. V. Tra. "Thermodynamics of mixtures containing alkanes." Fluid Phase Equilibria 20 (January 1985): 27–45. http://dx.doi.org/10.1016/0378-3812(85)90019-6.

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3

González, Juan Antonio, Ismael Mozo, Isaías García de la Fuente, and José Carlos Cobos. "Thermodynamics of organic mixtures containing amines. IV. Systems with aniline." Canadian Journal of Chemistry 83, no. 10 (2005): 1812–25. http://dx.doi.org/10.1139/v05-190.

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Binary mixtures of aniline with benzene, toluene, alkane, alkanol, or N,N-dialkylamide have been investigated in the framework of the DISQUAC model. The reported interaction parameters change regularly with the molecular structure of the mixture components. The model consistently describes a set of thermodynamic properties including liquidliquid equilibria, vaporliquid equilibria, and molar excess enthalpies. The two latter properties for ternary systems are well-represented by DISQUAC using binary parameters only (i.e., neglecting ternary interactions). A comparison of DISQUAC results and t

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4

Panayiotou, Constantinos G. "Thermodynamics of mixtures of amines with n-alkanes and 1-alkanols." Journal of Solution Chemistry 20, no. 1 (1991): 97–114. http://dx.doi.org/10.1007/bf00651643.

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5

Kehiaian, Henry V., Silvia Porcedda, Bruno Marongiu, Luciano Lepori, and Enrico Matteoli. "Thermodynamics of binary mixtures containing linear or cyclic alkanones + n-alkanes or + cycloalkanes." Fluid Phase Equilibria 63, no. 3 (1991): 231–57. http://dx.doi.org/10.1016/0378-3812(91)80035-t.

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6

Fleischman, Stephen H., and Charles L. Brooks. "Thermodynamics of aqueous solvation: Solution properties of alcohols and alkanes." Journal of Chemical Physics 87, no. 5 (1987): 3029–37. http://dx.doi.org/10.1063/1.453039.

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7

Graziano, Giuseppe. "Solvation thermodynamics of xenon in n-alkanes, n-alcohols and water." Biophysical Chemistry 105, no. 2-3 (2003): 371–82. http://dx.doi.org/10.1016/s0301-4622(03)00102-9.

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8

González, Juan Antonio, Isaias Garcia de la Fuente, and Jose Carlos Cobos. "Thermodynamics of mixtures with strongly negative deviations from Raoult's law. Part 3. Application of the DISQUAC model to mixtures of triethylamine with alkanols. Comparison with Dortmund UNIFAC and ERAS results." Canadian Journal of Chemistry 78, no. 10 (2000): 1272–84. http://dx.doi.org/10.1139/v00-114.

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Binary mixtures of triethylamine (TEA) and alkanols have been investigated in the framework of DISQUAC. The systems are built by three contacts: aliphatichydroxyl, aliphaticnitrogen, and hydroxylnitrogen. The corresponding interaction parameters are reported and discussed. The former are avalilable in the literature but were modified (particularly the third dispersive (DIS) and quasichemical (QUAC) interchange coefficients) for sec- and tert-alkanols + n-alkanes using recent data on excess heat capacities at constant pressure (CEP) for systems of these alkanols with n-heptane. The interacti

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9

Aoulmi, A., M. Bouroukba, R. Solimando, and M. Rogalski. "Thermodynamics of mixtures formed by polycyclic aromatic hydrocarbons with long chain alkanes." Fluid Phase Equilibria 110, no. 1-2 (1995): 283–97. http://dx.doi.org/10.1016/0378-3812(95)02759-8.

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10

Almarza, N. G., E. Enciso, and F. J. Bermejo. "Monte Carlo simulation of liquid n‐alkanes. I. Intramolecular structure and thermodynamics." Journal of Chemical Physics 96, no. 6 (1992): 4625–32. http://dx.doi.org/10.1063/1.462798.

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11

Sedunov, Boris I. "Equilibrium Molecular Interactions in Pure Gases." Journal of Thermodynamics 2012 (March 1, 2012): 1–13. http://dx.doi.org/10.1155/2012/859047.

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The equilibrium molecular interactions in pure real gases are investigated based on the chemical thermodynamics principles. The parallels between clusters in real gases and chemical compounds in equilibrium media have been used to improve understanding of the real gas structure. A new approach to the equilibrium constants for the cluster fractions and new methods to compute them and their significant parameters from the experimental thermophysical data are developed. These methods have been applied to some real gases, such as Argon and Water vapors and gaseous Alkanes. It is shown that the fou

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12

Kuznetsov, Nikolai, and Sergey Frolov. "Heat Capacities and Enthalpies of Normal Alkanes in an Ideal Gas State." Energies 14, no. 9 (2021): 2641. http://dx.doi.org/10.3390/en14092641.

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The reference literature contains data on the ideal gas-phase heat capacities and enthalpies of substances obtained experimentally. In this brief report, the highly accurate and simple unified analytical dependences of the heat capacity and enthalpy of normal alkanes larger than propane in the ideal gas state on temperature and the number of carbon atoms in a molecule are derived based on the analysis of the structure of chemical groups in the molecules and on the reference values of heat capacity and enthalpy for any two selected normal alkanes at one temperature. The dependences include a si

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13

Filipe, Eduardo J. M., Edmundo J. S. Gomes de Azevedo, Luís F. G. Martins, et al. "Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon + Ethane) and (Xenon + Propane)." Journal of Physical Chemistry B 104, no. 6 (2000): 1315–21. http://dx.doi.org/10.1021/jp9923973.

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14

Carvalho, A. J. Palace, J. P. Prates Ramalho, and Luís F. G. Martins. "Excess Thermodynamics of Mixtures Involving Xenon and Light Linear Alkanes by Computer Simulation." Journal of Physical Chemistry B 111, no. 23 (2007): 6437–43. http://dx.doi.org/10.1021/jp070936v.

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15

Kazayawoko, Menda, John J. Balatinecz, and Marianne Romansky. "Thermodynamics of Adsorption ofn-Alkanes on Maleated Wood Fibers by Inverse Gas Chromatography." Journal of Colloid and Interface Science 190, no. 2 (1997): 408–15. http://dx.doi.org/10.1006/jcis.1997.4892.

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16

Takagi, Toshiharu, and Hiroshi Teranishi. "Ultrasonic speeds and thermodynamics for binary solutions of n-alkanes under high pressures." Fluid Phase Equilibria 20 (January 1985): 315–20. http://dx.doi.org/10.1016/0378-3812(85)90050-0.

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17

Marongiu, Bruno, Barbara Pittau, Silvia Porcedda, and Maria Rosaria Tiné. "Thermodynamics of binary mixtures containing linear or cyclic alkenes + n-alkanes or cyclohexane." Fluid Phase Equilibria 93 (February 1994): 249–76. http://dx.doi.org/10.1016/0378-3812(94)87012-8.

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18

El-Naggar, A. "Gas-Liquid Chromatographic Study of Thermodynamics of Some Alkanes on Polysiloxane Stationary Phase." Petroleum Science and Technology 24, no. 7 (2006): 753–67. http://dx.doi.org/10.1081/lft-200044405.

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19

Touriño, A., M. Hervello, V. Moreno, M. Iglesias, and G. Marino. "Thermodynamics of binary mixtures of aliphatic linear alkanes (C6–C12) at 298.15 K." Physics and Chemistry of Liquids 42, no. 1 (2004): 37–51. http://dx.doi.org/10.1080/0031910021000059054.

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20

Abbott, Andrew P., Azhar Y. M. Al-Murshedi, Odeh A. O. Alshammari, et al. "Thermodynamics of phase transfer for polar molecules from alkanes to deep eutectic solvents." Fluid Phase Equilibria 448 (September 2017): 99–104. http://dx.doi.org/10.1016/j.fluid.2017.05.008.

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21

Marongiu, B., S. Dernini, and A. M. Polcaro. "Thermodynamics of binary mixtures containing cyclic alkanones. 1. Excess enthalpies of cyclopentanone and cyclohexanone + n-alkanes, + cyclohexane, + benzene, and + tetrachloromethane." Journal of Chemical & Engineering Data 31, no. 2 (1986): 185–89. http://dx.doi.org/10.1021/je00044a017.

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22

Matulis, Daumantas. "Thermodynamics of the hydrophobic effect. III. Condensation and aggregation of alkanes, alcohols, and alkylamines." Biophysical Chemistry 93, no. 1 (2001): 67–82. http://dx.doi.org/10.1016/s0301-4622(01)00209-5.

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23

Alonso, Víctor, Mario García, Juan Antonio González, Isaías García De La Fuente, and José Carlos Cobos. "Thermodynamics of mixtures containing alkoxyethanols. XXVIII: Liquid–liquid equilibria for 2-phenoxyethanol+selected alkanes." Thermochimica Acta 521, no. 1-2 (2011): 107–11. http://dx.doi.org/10.1016/j.tca.2011.04.012.

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24

Belov, N., A. Safronov, and Y. Yampolskii. "Infinite Dilution Sorption and Thermodynamics of C15–C17 n–alkanes in Perfluorinated Copolymer AF2400." Procedia Engineering 44 (2012): 1197–99. http://dx.doi.org/10.1016/j.proeng.2012.08.723.

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25

Filipe, Eduardo J. M., Luís F. G. Martins, Jorge C. G. Calado, Clare McCabe, and George Jackson. "Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon +n-Butane) and (Xenon + Isobutane)." Journal of Physical Chemistry B 104, no. 6 (2000): 1322–25. http://dx.doi.org/10.1021/jp992801y.

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26

ALMARZA, N. G., E. ENCISO, and F. J. BERMEJO. "ChemInform Abstract: Monte Carlo Simulation of Liquid n-Alkanes. Part 1. Intramolecular Structure and Thermodynamics." ChemInform 23, no. 30 (2010): no. http://dx.doi.org/10.1002/chin.199230034.

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27

Speybroeck, V. Van, P. Vansteenkiste, D. Van Neck, and M. Waroquier. "Why does the uncoupled hindered rotor model work well for the thermodynamics of n-alkanes?" Chemical Physics Letters 402, no. 4-6 (2005): 479–84. http://dx.doi.org/10.1016/j.cplett.2004.12.104.

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28

Dundar, Ege, Belgin Bozbiyik, Stijn Van Der Perre, Guillaume Maurin, and Joeri F. M. Denayer. "Modeling of Adsorption Thermodynamics of Linear and Branched Alkanes in the Aluminum Fumarate Metal Organic Framework." Journal of Physical Chemistry C 121, no. 37 (2017): 20287–95. http://dx.doi.org/10.1021/acs.jpcc.7b05414.

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29

Piccini, GiovanniMaria, Maristella Alessio, Joachim Sauer, et al. "Accurate Adsorption Thermodynamics of Small Alkanes in Zeolites. Ab initio Theory and Experiment for H-Chabazite." Journal of Physical Chemistry C 119, no. 11 (2015): 6128–37. http://dx.doi.org/10.1021/acs.jpcc.5b01739.

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30

Ichiye, Toshiko, and David Chandler. "Hypernetted chain closure reference interaction site method theory of structure and thermodynamics for alkanes in water." Journal of Physical Chemistry 92, no. 18 (1988): 5257–61. http://dx.doi.org/10.1021/j100329a037.

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31

Kehiaian, Henry V., and Maria Rosaria Tiné. "Thermodynamics of binary mixtures containing oxaalkanes. Part 4. Cyclic diethers and acetals + n-alkanes or + cyclohexane." Fluid Phase Equilibria 59, no. 3 (1990): 233–45. http://dx.doi.org/10.1016/0378-3812(90)80001-r.

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32

Marongiu, Bruno, Gabriele Marras, Barbara Pittau, and Silvia Porcedda. "Thermodynamics of binary mixtures containing thiaalkanes. Excess enthalpies of thiaalkanes and polythiaalkanes + n-alkanes or cyclohexane." Fluid Phase Equilibria 97 (June 1994): 127–46. http://dx.doi.org/10.1016/0378-3812(94)85011-9.

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33

Habboush, Albertine E., Sabri M. Farroha, and Abdul-Latif Y. Kreishan. "Gas—liquid chromatographic study of thermodynamics of solution of some alkanes on liquid crystal stationary phases." Journal of Chromatography A 664, no. 1 (1994): 71–76. http://dx.doi.org/10.1016/0021-9673(94)80630-6.

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34

Alonso, Víctor, Iván Alonso, Ismael Mozo, Juan Antonio González, Isaías García de la Fuente та José Carlos Cobos. "Thermodynamics of Mixtures Containing a Strongly Polar Compound. 9. Liquid−Liquid Equilibria for ε-Caprolactam + Selected Alkanes". Journal of Chemical & Engineering Data 55, № 6 (2010): 2263–66. http://dx.doi.org/10.1021/je900785z.

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35

De Moor, Bart A., Marie-Françoise Reyniers, and Guy B. Marin. "Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio–statistical thermodynamics study." Physical Chemistry Chemical Physics 11, no. 16 (2009): 2939. http://dx.doi.org/10.1039/b819435c.

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36

Gonzalez, Juan A., Isaias Garcia, Jose C. Cobos, and Carlos Casanova. "Thermodynamics of binary mixtures containing organic carbonates. 4. Liquid-liquid equilibria of dimethyl carbonate + selected n-alkanes." Journal of Chemical & Engineering Data 36, no. 2 (1991): 162–64. http://dx.doi.org/10.1021/je00002a009.

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37

Lobos, Juan, Ismael Mozo, Marta Fernández Regúlez, Juan Antonio González, Isaías García de la Fuente, and José Carlos Cobos. "Thermodynamics of Mixtures Containing a Strongly Polar Compound. 8. Liquid−Liquid Equilibria forN,N-Dialkylamide + SelectedN-Alkanes." Journal of Chemical & Engineering Data 51, no. 2 (2006): 623–27. http://dx.doi.org/10.1021/je050428j.

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38

Panayiotou, Constantinos G. "Thermodynamics of alkanol-alkane mixtures." Journal of Physical Chemistry 92, no. 10 (1988): 2960–69. http://dx.doi.org/10.1021/j100321a048.

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39

Vysotsky, Yu B., E. S. Kartashynska, E. A. Belyaeva, V. B. Fainerman, D. Vollhardt, and R. Miller. "Quantum chemical analysis of thermodynamics of 2D cluster formation of alkanes at the water/vapor interface in the presence of aliphatic alcohols." Physical Chemistry Chemical Physics 17, no. 43 (2015): 28901–20. http://dx.doi.org/10.1039/c5cp04701c.

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40

Janda, Amber, Bess Vlaisavljevich, Li-Chiang Lin, et al. "Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Brønsted Acid Sites in Zeolites." Journal of Physical Chemistry C 119, no. 19 (2015): 10427–38. http://dx.doi.org/10.1021/acs.jpcc.5b01715.

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41

Dundar, Ege, Belgin Bozbiyik, Stijn Van Der Perre, Guillaume Maurin, and Joeri F. M. Denayer. "Correction to “Modeling of Adsorption Thermodynamics of Linear and Branched Alkanes in the Aluminum Fumarate Metal Organic Framework”." Journal of Physical Chemistry C 122, no. 17 (2018): 9726–28. http://dx.doi.org/10.1021/acs.jpcc.8b02549.

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42

Hammers, W. E., and C. L. de Ligny. "The thermodynamics of solutions of some normal and branched alkanes in polyisobutylene: an investigation by gas-liquid chromatography." Journal of Polymer Science Part C: Polymer Symposia 39, no. 1 (2007): 273–80. http://dx.doi.org/10.1002/polc.5070390124.

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43

González, J. A., I. García de la Fuente, J. C. Cobos, and U. Domańska. "Thermodynamics of branched alcohols I. Extension of DISQUAC to tert-alcohols-n-alkanes or tert-alcohols-cyclohexane mixtures." Fluid Phase Equilibria 119, no. 1-2 (1996): 81–96. http://dx.doi.org/10.1016/0378-3812(95)02857-9.

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44

Mozo, Ismael, Juan Antonio González, Isaías García de la Fuente, and José Carlos Cobos. "Thermodynamics of Mixtures Containing Ethers. Part III. Liquid−Liquid Equilibria for 2,5,8,11-Tetraoxadodecane or 2,5,8,11,14-Pentaoxapentadecane + SelectedN-Alkanes." Journal of Chemical & Engineering Data 49, no. 4 (2004): 1091–94. http://dx.doi.org/10.1021/je049903o.

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45

Antonio González, Juan, Jose´ Carlos Cobos, Francisco Javier Carmona, Isaías García De La Fuente, Venkat R. Bhethanabotla, and Scott W. Campbell. "Thermodynamics of mixtures containing alkoxyethanols. Part XV. DISQUAC characterization of systems of alkoxyethanols with n-alkanes or cyclohexane." Physical Chemistry Chemical Physics 3, no. 14 (2001): 2856–65. http://dx.doi.org/10.1039/b100765n.

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46

Maginn, Edward J., Alexis T. Bell, and Doros N. Theodorou. "Sorption Thermodynamics, Siting, and Conformation of Long n-Alkanes in Silicalite As Predicted by Configurational-Bias Monte Carlo Integration." Journal of Physical Chemistry 99, no. 7 (1995): 2057–79. http://dx.doi.org/10.1021/j100007a042.

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47

Tristán, Cristina Alonso, Juan Antonio González, Isaías García De La Fuente, and José Carlos Cobos. "Thermodynamics of Mixtures Containing a Very Strongly Polar Compound. 10. Liquid–Liquid Equilibria for N,N-Dimethylacetamide + Selected Alkanes." Journal of Chemical & Engineering Data 58, no. 8 (2013): 2339–44. http://dx.doi.org/10.1021/je400487e.

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48

Kehiaian, Henry V., Maria Rosaria Tine, Luciano Lepori, Enrico Matteoli, and Bruno Marongiu. "Thermodynamics of binary mixtures containing oxaalkanes. Part 3. Monoethers, polyethers, acetals, orthoesters and cyclic monoethers + n-alkanes or cyclohexane." Fluid Phase Equilibria 46, no. 2-3 (1989): 131–77. http://dx.doi.org/10.1016/0378-3812(89)80033-0.

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49

García, J., E. R. López, M. JP Comuñas, L. Lugo та J. Fernández. "UNIFAC calculation of thermodynamic properties of binary 1-chloroalkane + alkane and α,ω-dichloroalkane + alkane mixtures: Comparison with NittaChao and DISQUAC predictions". Canadian Journal of Chemistry 81, № 5 (2003): 392–405. http://dx.doi.org/10.1139/v03-066.

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Data available in the literature for vaporliquid equilibria, activity coefficients at infinite dilution, and enthalpies of mixing for binary mixtures of 1-chloroalkanes or dichloroalkanes with alkanes are used to determine interaction parameters for three versions of the UNIFAC model the Tassios et al., Larsen et al., and Gmehling et al. versions. The interaction parameters for chlorine and methyl or methylene groups are calculated using data for the thermodynamic properties of 1-chloroalkane + alkane mixtures. In the case of the Gmehling version, the geometrical parameters for chlorine are

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50

Cobos, Jose Carlos, Isaias Garcia de la Fuente, and Juan Antonio Gonzalez. "Molar excess enthalpies for some systems containing the OH and (or) O groups in the same or in different molecules." Canadian Journal of Chemistry 80, no. 3 (2002): 292–301. http://dx.doi.org/10.1139/v02-018.

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In this work, HmE data at 298.15 K for the systems 1-nonanol + n-C12; 1-nonanol + n-C14; 1-hexanol + 3,6,9-trioxaundecane; and 2-(2-butoxyethoxyethanol) + n-C7 are reported. Measurements were carried out with a standard Calvet-type microcalorimeter. Molar excess functions, including enthalpies and entropies, are carefully examined to report on the main features of the studied solutions. Dipoledipole interactions between ether molecules are, therefore, of great importance in both 1-alkanols + polyoxaalkanes mixtures and between hydroxyether molecules in alkoxy ethanols + n-alkanes systems. In

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