Relevant bibliographies by topics / Alkanes – Thermodynamics

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  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'Alkanes – Thermodynamics'

Author: Grafiati
Published: 4 June 2021
Last updated: 11 February 2022

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Journal articles on the topic "Alkanes – Thermodynamics"

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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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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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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 liquid–liquid equilibria, vapor–liquid 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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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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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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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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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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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: aliphatic–hydroxyl, aliphatic–nitrogen, and hydroxyl–nitrogen. 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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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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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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Dissertations / Theses on the topic "Alkanes – Thermodynamics"

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Pulliam, Mathlon K. "The critical properties of the n-alkanones." Thesis, Georgia Institute of Technology, 1993. http://hdl.handle.net/1853/11124.

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Campbell, Paul Olympia. "Equation of state modeling of the solubility of solid n-alkanes in supercritical carbon dioxide." Thesis, Georgia Institute of Technology, 1995. http://hdl.handle.net/1853/12138.

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Khalil, Enam A. S. A. "A thermodynamic study of binary and ternary mixtures of some alkanes and alkanols." Thesis, University of Manchester, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.328889.

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Weiguo, Shen. "Thermodynamics of alkane solutions." Thesis, University of Canterbury. Chemical and Process Engineering, 1988. http://hdl.handle.net/10092/7727.

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An apparatus for static vapour pressure measurements on pure liquids and on binary and ternary mixtures containing one involatile component has been designed and constructed. The apparatus and corresponding experimental techniques have been tested and experimental errors have been discussed. Measurements have been made of the vapour pressures of binary mixtures of n-hexane + n-hexadecane at 298.15 K and 303.15 K and of binary mixtures of n-hexane + n-octane, n-octane + n-hexadecane, and ternary mixtures of n-hexane + n-octane + n-hexadecane at 298.15 K. The experimental measurements of press
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Schenk, Merijn. "Shape selectivity in zeolites." [S.l. : Amsterdam : s.n.] ; Universiteit van Amsterdam [Host], 2003. http://dare.uva.nl/document/70569.

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Archer, Amanda L. "Alkane + perfluoroalkane mixtures : a theoretical and experimental study of near-critical phase equilibria, thermodynamics, and transport properties." Thesis, University of Sheffield, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.319422.

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Okazaki, S., N. Yoshii, and K. Fujimoto. "Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method." AIP Publishing, 2010. http://hdl.handle.net/2237/20837.

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Cripwell, Jamie Theo. "Assessment of the capabilities of two polar sPC-SAFT terms through application to measured ketone-alkane phase equilibria data." Thesis, Stellenbosch : Stellenbosch University, 2014. http://hdl.handle.net/10019.1/86311.

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Thesis (MEng)--Stellenbosch University, 2014.<br>ENGLISH ABSTRACT: Thermodynamic models have been investigated extensively since Johannes van der Waals first devised a mathematical relation capable of predicting both vapour and liquid phases for a mixture at equilibrium. With the advent of modern computing power, these equations of state have gone from their humble empirical beginnings to the comprehensive and fundamentally derived models we have today. One such physically sound model is the Statistical Associating Fluid Theory (SAFT) family of equations, derived from the molecular pertur
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Jouti, Moulay Brahim. "Détermination des diagrammes de phases des systèmes binaires des N-Alcanes impairs consécutifs : (n-C21H44 : n-C23H48 et n-C23H48 : n-C25H52) : études thermodynamiques et structurales, modélisation et calcul de diagramme." Vandoeuvre-les-Nancy, INPL, 1996. http://www.theses.fr/1996INPL058N.

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Les diagrammes de phases des n-alcanes consécutifs impairs (n-C21H44 : n-C23H48 et n-C23H48 : n-C25H52) sont établis en utilisant conjointement les analyses calorimétriques différentielles et la diffraction des rayons-X. Contrairement à ce qu'il est généralement admis dans la littérature, ces mélanges binaires de n-alcanes ne sont pas miscibles en toute proportion, mais forment aux basses températures des domaines de solutions solides primaires limitées et trois phases intermédiaires conformément à la règle phénoménologique des successions des phases solides dans les systèmes binaires de n-alc
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Aoulmi, Aïssa. "Contribution à l'étude des propriétés thermodynamiques des hydrocarbures polycycliques, aromatiques et des alcanes à longue chaine." Vandoeuvre-les-Nancy, INPL, 1994. http://www.theses.fr/1994INPL140N.

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Les propriétés thermodynamiques des fluides pétroliers, en particulier les propriétés PVT, dépendent fortement de la nature des constituants lourds. Il est donc très important de disposer d'informations sur ce type de constituants. Le but de notre travail est une contribution à la mesure des propriétés thermodynamiques de tels constituants et de leurs mélanges et leur corrélation par des méthodes de contribution de groupes. Nous avons mesuré les capacités calorifiques de 23 hydrocarbures en phase liquide. Les résultats sont utilisés pour vérifier la méthode de contribution de groupe de Benson
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Book chapters on the topic "Alkanes – Thermodynamics"

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Viton, C., M. Chavret, and J. Jose. "Enthalpy of Vaporization of N-Alkanes (from Nonane to Pentadecane). Experimental Results - Correlation." In Thermodynamic Modeling and Materials Data Engineering. Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-72207-3_3.

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Maginn, E. J., A. T. Bell, and D. N. Theodorou. "Low-Occupancy Sorption Thermodynamics of Long Alkanes in Silicalite Via Molecular Simulation." In Studies in Surface Science and Catalysis. Elsevier, 1994. http://dx.doi.org/10.1016/s0167-2991(08)63771-4.

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"Enthalpies of Formation of Some Gaseous Molecules, Atoms, and Free Radicals at 298 KaaUnless otherwise indicated, from D. R. Lide, CRC Handbook of Chemistry and Physics, 79th ed., CRC Press, Boca Raton, FL, 1998/1999, and Atkinson et al., J. Phys. Chem. Ref. Data, 26, 1329–1499 (1997).ccFor estimating heats of formation of other stable species, use group additivity methods described by S. W. Benson, Thermochemical Kinetics, Wiley, New York, 1976, see review of N. Cohen and S. W. Benson for organic compounds [“Estimation of Heats of Formation of Organic Compounds by Additivity Methods,” Chem. Rev., 93, 2419–2438 (1993)], and the paper by C.-J. Chen, D. Wong, and J. W. Bozzelli for chlorinated alkanes and alkenes [“Standard Chemical Thermodynamic Properties of Multichloro Alkanes and Alkenes: A Modified Group Additivity Scheme,” J. Phys. Chem. A, 102, 4551–4558 (1998)]. Application of group additivity to C2–C6 alkyl radicals is discussed by N. Cohen [“Thermochemistry of Alkyl for Radicals,” J. Phys. Chem., 96, 9052–9058 (1992)]." In Chemistry of the Upper and Lower Atmosphere. Elsevier, 2000. http://dx.doi.org/10.1016/b978-012257060-5/50019-8.

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Conference papers on the topic "Alkanes – Thermodynamics"

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Wootton, Adam, Francois Picavez, Peter Harrowell, Michio Tokuyama, Irwin Oppenheim, and Hideya Nishiyama. "The Structure and Thermodynamic Stability of Reverse Micelles in Dry AOT∕Alkane Mixtures." In COMPLEX SYSTEMS: 5th International Workshop on Complex Systems. AIP, 2008. http://dx.doi.org/10.1063/1.2897802.

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Manin, Julien, Cyril Crua, and Lyle M. Pickett. "Transcritical mixing of sprays for multi-component fuel mixtures." In ILASS2017 - 28th European Conference on Liquid Atomization and Spray Systems. Universitat Politècnica València, 2017. http://dx.doi.org/10.4995/ilass2017.2017.5065.

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The mixing of fuels with oxidizer has been an increasingly interesting area of research with new engine technologiesand the need to reduce emissions, while leveraging efficiency. High-efficiency combustion systems such as diesel engines rely on elevated chamber pressures to maximize power density, producing higher output. In such systems, the fuel is injected under liquid state in a chamber filled with pressurized air at high temperatures. Theoretical calculations on the thermodynamics of fuel mixing processes under these conditions suggest that the injected liquid can undergo a transcritical
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Mukherjee, Rudranarayan M., Paul Crozier, and Kurt S. Anderson. "Multibody Molecular Dynamics II: Applications and Results." In ASME 2007 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2007. http://dx.doi.org/10.1115/detc2007-35561.

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This is the second paper in a series of two papers on using multibody dynamics algorithms and methods for coarse grained molecular dynamics simulations. In the previous paper, the theoretical discussions on this topic have been presented. This paper presents results obtained from simulating several biomolecular and bulk materials using multibody dynamics algorithms. The systems studied include water boxes, alkane chains, alanine dipeptide and carboxyl terminal fragments of Calmodulin, Ribosomal, and Rhodopsin proteins. The atomistic representations of these systems include several thousand deg
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Goldthwaite, Donald, Mohamad Metghalchi, and James C. Keck. "Refinement of Reduced Chemical Mechanisms for the Modeling of the Rapid Compression Combustion of Heptane and Octane." In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-81368.

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Reduced chemical mechanisms for heptane and octane, originally developed by Keck and Hu, have been shown to give excellent agreement with experimental ignition delay times obtained using a rapid compression machine. These mechanisms consist of 20 species and 41 reactions with 10 reactions detailing the initial breakdown sequence of the alkane, 2 global reactions leading to the formation of end products, and the remaining reactions specifying the path to equilibrium products. Until recently, the success of these mechanisms in matching experimental data rested in large part on the fine tuning of
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Doty, F. David, and Siddarth Shevgoor. "A Dual-Source Organic Rankine Cycle (DORC) for Improved Efficiency in Conversion of Dual Low- and Mid-Grade Heat Sources." In ASME 2009 3rd International Conference on Energy Sustainability collocated with the Heat Transfer and InterPACK09 Conferences. ASMEDC, 2009. http://dx.doi.org/10.1115/es2009-90220.

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Detailed thermodynamic and systems analyses show that a novel hybrid cycle, in which a low-grade (and low-cost) heat source (340 K to 460 K) provides the boiling enthalpy and some of the preheating while a mid-grade source (500 K to 800 K) provides the enthalpy for the final superheating, can achieve dramatic efficiency and cost advantages. Four of the more significant differences from prior bi-level cycles are that (1) only a single expander turbine (the most expensive component) is required, (2) condenser pressures are much higher, (3) the turbine inlet temperature (even with a low-grade geo
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Hon, Vai Yee, Ismail Mohd Saaid, Ching Hsia Ivy Chai, et al. "Digital Oil Model Development and Verification." In International Petroleum Technology Conference. IPTC, 2021. http://dx.doi.org/10.2523/iptc-21305-ms.

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Abstract Advances in digital technologies have the potential to enhance model predictive capability and redefine its boundaries at various scale. Digital oil with accurate representation of atomistic components is a powerful tool to analyze both macroscopic properties and microscopic phenomena of crude oil under any thermodynamic conditions. Digital oil model presented in this paper is the key input in molecular chemistry modeling for designing chemical enhanced oil recovery formulation. Hence, it is constructed based on a fit-for purpose strategy focusing in oil components that have large con
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