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Sep 2005

Volume 34, Issue 3, pp. 757-1555


Evaluated Kinetic Data for Combustion Modeling: Supplement II

D. L. Baulch, C. T. Bowman, C. J. Cobos, R. A. Cox, Th. Just, J. A. Kerr, M. J. Pilling, D. Stocker, J. Troe, W. Tsang, R. W. Walker, and J. Warnatz

J. Phys. Chem. Ref. Data 34, 757 (2005); http://dx.doi.org/10.1063/1.1748524 (641 pages) | Cited 59 times

Online Publication Date: 27 July 2005

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This compilation updates and expands two previous evaluations of kinetic data on elementary, homogeneous, gas phase reactions of neutral species involved in combustion systems [J. Phys. Chem. Ref Data 21, 411 (1992); 23, 847 (1994)]. The work has been carried out under the auspices of the IUPAC Commission on Chemical Kinetics and the UK Engineering and Physical Sciences Research Council. Individual data sheets are presented for most reactions but the kinetic data for reactions of C2, C, ethyl, i-propyl, t-butyl, and allyl radicals are summarized in tables. Each data sheet sets out relevant thermodynamic data, experimental kinetic data, references, recommended rate parameters with their error limits and a brief discussion of the reasons for their selection. Where appropriate the data are displayed on an Arrhenius diagram or by fall-off curves. Tables summarizing the recommended rate data and the thermodynamic data for the reactant and product species are given, and their sources referenced. As in the previous evaluations the reactions considered relate largely to the combustion in air of organic compounds containing up to three carbon atoms and simple aromatic compounds. Thus the data base has been expanded, largely by dealing with a substantial number of extra reactions within these general areas. © 2005 American Institute of Physics.
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51.10.+y Kinetic and transport theory of gases
82.40.Qt Complex chemical systems
82.60.Hc Chemical equilibria and equilibrium constants

IUPAC-NIST Solubility Data Series. 81. Hydrocarbons with Water and Seawater-Revised and Updated. Part 5. C7 Hydrocarbons with Water and Heavy Water

Andrzej Maczynski, David G. Shaw, Marian Goral, Barbara Wisniewska-Goclowska, Adam Skrzecz, Iwona Owczarek, Krystyna Blazej, Marie-Claire Haulait-Pirson, Glenn T. Hefter, F. Kapuku, Zofia Maczynska, Andrzej Szafranski, and Colin L. Young

J. Phys. Chem. Ref. Data 34, 1399 (2005); http://dx.doi.org/10.1063/1.1840737 (89 pages) | Cited 3 times

Online Publication Date: 16 August 2005

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The mutual solubility and related liquid-liquid equilibria of C7 hydrocarbons with water and heavy water are exhaustively and critically reviewed. Reports of experimental determination of solubility in 23 chemically distinct binary systems that appeared in the primary literature prior to end of 2002 are compiled. For 9 systems sufficient data are available to allow critical evaluation. All data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, a new method based on the evaluation of the all experimental data for a given homologous series of aliphatic and aromatic hydrocarbons was used. © 2005 American Institute of Physics.
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64.75.-g Phase equilibria
82.60.Lf Thermodynamics of solutions

IUPAC-NIST Solubility Data Series. 81. Hydrocarbons with Water and Seawater—Revised and Updated. Part 6. C8H8–C8H10 Hydrocarbons with Water

David G. Shaw, Andrzej Maczynski, Marian Goral, Barbara Wisniewska-Goclowska, Adam Skrzecz, Iwona Owczarek, Krystyna Blazej, Marie-Claire Haulait-Pirson, Glenn T. Hefter, Zofia Maczynska, and Andrzej Szafranski

J. Phys. Chem. Ref. Data 34, 1489 (2005); http://dx.doi.org/10.1063/1.1839880 (65 pages)

Online Publication Date: 16 August 2005

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The mutual solubility and related liquid-liquid equilibria of C8H8–C8H10 hydrocarbons with water are exhaustively and critically reviewed. Reports of experimental determination of solubility in 5 chemically distinct binary systems that appeared in the primary literature prior to the end of 2002 are compiled. For all the systems sufficient data are available to allow critical evaluation. All data are expressed as mass percent and mole fraction as well as the originally reported units. In addition to the standard evaluation criteria used throughout the Solubility Data Series, a new method based on the evaluation of all experimental data for a given homologous series of aliphatic and aromatic hydrocarbons was used. © 2005 American Institute of Physics.
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64.75.-g Phase equilibria
82.60.Lf Thermodynamics of solutions
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Erratum: “The Dissociation Enthalpies of Terminal (N-O) Bonds in Organic Compounds” [J. Phys. Chem. Ref. Data 34, 553 (2005)]

William E. Acree, Geoffrey Pilcher, and Maria D. M. C. Ribeiro da Silva

J. Phys. Chem. Ref. Data 34, 1555 (2005); http://dx.doi.org/10.1063/1.1994873 (1 page) | Cited 1 time

Online Publication Date: 18 August 2005

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Abstract Unavailable
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99.10.Cd Errata
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