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Computation of heat capacities of solid state benzene,p-oligophenylenes and poly-p-phenylene

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Abstract

Heat capacities (Cp) of solid benzene, biphenyl,p-terphenyl,p-quaterphenyl, and poly-p-phenylene were analyzed using the ATHAS Scheme of computation. The calculated heat capacities based on approximate vibrational spectra of solid benzene and the series of oligomers containing additional phenylene groups were compared to experimental data newly measured and from the literature to identify possible additional large-amplitude motion. The skeletal heat capacity was fitted to the Tarasov equation to obtain the one- and three-dimensional vibration frequencies Θ1 and Θ3 using a new optimization approach. Their relationship to the number of phenylene groupsn is: Θ1=426.0−150.3/n; and Θ3=55.4+81.8/n. Except for benzene, the quantitative thermal analyses do not show significant contributions from large-amplitude motion below the melting temperatures.

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References

  1. For experimental data see: U. Gaur, H.-C. Shu, A. Mehta, S.-F. Lau, B. B. Wunderlich, M. Varma-Nair and B. Wunderlich, J. Phys. Chem. Ref. Data, 10 (1981) 89, 119, 1001, 1051; 11 (1982) 313, 1065; 12 (1983) 29, 65, 91; and 20 (1991) 349; and for fitted data check our WWW address on the Internet: http://funnelweb.utcc.utk.edu/∼athas.

    Article  CAS  Google Scholar 

  2. Y. Jin and B. Wunderlich, J. Phys. Chem., 95 (1991) 9000.

    Article  CAS  Google Scholar 

  3. Y. Jin, A. Boller, B. Wunderlich and B. V. Lebedev, Thermochim. Acta, 234 (1994) 103.

    Article  CAS  Google Scholar 

  4. H. M. Huffman, G. S. Parks and A. C. Daniels, J. Am. Chem. Soc., 52 (1930) 1547.

    Article  CAS  Google Scholar 

  5. K. Saito, T. Atake and H. Chihara, Bull. Chem. Soc. Jpn., 61 (1988) 679.

    Article  CAS  Google Scholar 

  6. D. F. O'Rourke and S. C. Mraw, J. Chem. Thermodynamics, 15 (1983) 489.

    Article  Google Scholar 

  7. S. S. Chang, J. Chem. Phys., 79 (1983) 6229.

    Article  CAS  Google Scholar 

  8. K. Saito, T. Atake and. H. Chihara, Chemistry Letters, 61 (1984) 531.

    Article  Google Scholar 

  9. H. Cailleau and A. Dworkin, Mol. Cryst. Liq. Cryst., 50 (1979) 217.

    Article  CAS  Google Scholar 

  10. J. Wasicki, M. Radomska and R. Radomski, J. Thermal Anal., 25 (1982) 509.

    Article  CAS  Google Scholar 

  11. K. Saito, T. Atake and H. Chihara, J. Chem. Thermodynamics, 17 (1985) 539.

    Article  CAS  Google Scholar 

  12. M. Pyda, B.V. Lebedev and B. Wunderlich, J. Thermal Anal., to be submitted (1996).

  13. V. V. Tarasov, Zh. Fiz. Khim. 24 (1950) 111; Dokl. Acad. Nauk SSSR, 1000 (1955) 307.

    CAS  Google Scholar 

  14. G. Zhang and B. Wunderlich, J. Thermal Anal., submitted for publication in (1996).

  15. M. Pyda, M. Bartkowiak and B. Wunderlich, J. Thermal Anal., to be submitted.

  16. B. Wunderlich, Pure and Appl. Chem., 67 (1995) 1019.

    Article  CAS  Google Scholar 

  17. W. Nernst and F. A. Lindemann, Z. Electrochem., 17 (1911) 817.

    CAS  Google Scholar 

  18. R. Pan, M. Varma-Nair and B. Wunderlich, J. Thermal Anal., 35 (1989) 955.

    Article  CAS  Google Scholar 

  19. K. Pitzer and B. Scott, J. Am. Chem. Soc., 65 (1943) 803.

    Article  CAS  Google Scholar 

  20. S. Z. D. Cheng, S. Lim, L. H. Judovits and B. Wunderlich, Polymer, 28 (1987) 10.

    Article  CAS  Google Scholar 

  21. G. Zannoni and G. Zerbi, J. Chem. Phys, 82 (1985) 31.

    Article  CAS  Google Scholar 

  22. K. N. Baker, A. V. Fratini, T. Resch, W. W. Adams, E. P. Socci and B. L. Farmer, Polymer, 34 (1993) 1571.

    Article  CAS  Google Scholar 

  23. A. Bond, J. Phys. Chem., 68 (1964) 441.

    Article  Google Scholar 

  24. U. Gaur, G. Pultz, H. Wiedemeier and B. Wunderlich, J. Thermal Anal., 21 (1981) 309.

    Article  CAS  Google Scholar 

  25. B. Wunderlich and J. Grebowicz, Adv. Polymer Sci, 60/61 (1984) 1.

    CAS  Google Scholar 

  26. E. R. Andrews and R. G. Eades, Proc. Roy. Soc., A218 (1953) 537.

    Google Scholar 

  27. Yu. V. Cheban, S. F. Lau and B. Wunderlich, Colloid Polymer Sci., 260 (1982) 9.

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Department of Chemistry, The University of Tennessee, 37996-1600, Knoxville, TN, USA

    M. Pyda

  2. Chemistry and Analytical Sciences Division, Oak Ridge National Laboratory, 37831-6197, Oak Ridge, TN, USA

    B. Wunderlich

Authors
  1. M. Pyda
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  2. B. Wunderlich
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Additional information

This work was financially supported by the Div. of Materials Res., NSF, Polymers Program, Grant # DMR 90-00520 and Oak Ridge National Laboratory, managed by Lockheed Martin Energy Research Corp. for the U. S. Department of Energy, under contract number DE-AC05-96OR22464.

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Pyda, M., Wunderlich, B. Computation of heat capacities of solid state benzene,p-oligophenylenes and poly-p-phenylene. Journal of Thermal Analysis 49, 685–692 (1997). https://doi.org/10.1007/BF01996752

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