Summary
Detailed statistical analysis is presented to describe the retention indices of alkylbenzenes as a function of their physical (boiling point, modrefraction) and topological (connectivity and complexity indices) properties. With the help of several statistical characteristics (examination of residuals, F test, partial F test, termination criteria, correlation indices) a discrimination is made among different models. A nonlinear equation was chosen which describes the retention data on slightly polar phases with the practically attainable precision. A comparison with literature sources shows that this equation provides the smallest residual error and, hence, it can be applied for prediction purposes. A correlation was found between the preexponential factor in the simple exponential model and the polarity of stationary phases on the Tarján scale.
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References
R. Kaliszan, Quantitative Structure Chromatographic Retention Relationships, John Wiley & Sons, New York, 1987; Chapter 1, pp. 1–5.
V. M. Nabivach, A. V. Kirilenko, Chromatographia13, 93 (1980).
F. Saura-Calixto, A. Garcia-Raso, Chromatographia15, 521 (1982).
F. Bermejo, J. S. Canga, O. M. Gayol, Intern. Environ. Anal. Chem.11, 271 (1982).
F. Saura-Calixto, A. Garcia-Raso, J. Cañellas, Anal. Quim.79, 411 (1983).
J. Bermejo, J. S. Canga, O. M. Gayol, M. D. Guillén, J. Chromatogr. Sci.22, 252 (1984).
F. Saura-Calixto, A. Garcia-Raso, Intern. J. Environ. Anal. Chem.17, 279 (1984).
M. Gassiot-Matas, G. Firpo-Pamies, J. Chromatogr.187, 1 (1980).
J. Bermejo, M. D. Guillén, Chromatographia17, 664 (1983).
J. Bermejo, M. D. Guillén, J. High Resolut. Chrom. & Chrom. Commun.7, 191 (1984).
J. Bermejo, M. D. Guillén, Intern. J. Environ. Anal. Chem.23, 77 (1985).
S. Rang, K. Kuningas, T. Strenze, A. Orav, O. Eisen, J. Chromatogr.406, 75 (1987).
J. Bermejo, M. D. Guillén, Anal. Chem.59, 94 (1987).
O. Papp, GY. Szász, M. Farkas, G. Simon, I. Hermecz, J. Chromatogr.403, 19 (1987).
R. V. Golovnya, D. N. Grigoryeva, J. High. Resolut. Chrom. & Chrom. Commun.9, 584 (1986).
J. Bermejo, C. G. Blanco, M. A. Diez, M. D. Guillén, Chromatographia23, 33 (1987).
L. Soják, J. Ruman, J. Janák, J. Chromatogr.391, 79 (1987).
K. Héberger, Chromatographia25, 725 (1988).
K. Héberger, Anal. Chim. Acta223, 161 (1989).
A. Tuabet, M. Maeck, A. Y. Badjah-Hadj-Ahmed, B. Y. Meklaty, Chromatographia25, 389 (1988).
L. Buydens, D. L. Massart, Anal. Chem.53, 1990 (1981).
C. E. Döring, D. Estel, R. Fischer, J. prakt. Chem.316, 1 (1974).
G. Dahlmann, H. J. K. Köser, H. H. Oelert, Chromatographia12, 665 (1979).
V. A. Gerasimenko, V. M. Nabivach, Zh. Anal. Khim.37, 110 (1982).
F. Vernon, J. B. Suratman, Chromatographia17, 600 (1983).
Ye. Ye. Kugucheva, V. I. Mashinski, Zh. Anal. Khim.38, 2023 (1983).
T. Tóth, J. Chromatogr.279, 157 (1983).
W. Engewald, I. Topalova, N. Petsev, Chr. Dimitrov, Chromatographia27, 561 (1987).
M. Frenklach, Modelling. In: Combustion Chemistry (Editor W. G. Gardiner) Springer Verlag, New York, 1984, Chapter p. pp. 423–453.
N. R. Draper, H. Smith, Applied Regression Analysis 2nd ed. John Wiley & Sons, New York, 1981; Chapter 1, pp. 1–69.
—; Chapter 3, pp. 141–192.
Y. Bard, Nonlinear Parameter Estimation, Academic Press, New York, 1974, Chapter 10-6, pp. 269–271.
P. R. Bevington, Data Reduction and Error Analysis for the Physical Sciences, McGraw-Hill Book Company, New York, 1969; Chapter 10-2 pp. 195–203.
—; Chapter 7-2, pp. 127–133.
D. M. Himmelblau, Process Analysis by Statistical Methods, John Wiley & Sons, New York, 1970; Chapters 3.7 and 3.8, pp. 68–76.
W. G. Bardsley, Symp. Biol. Hung.30, 267 (1986).
P. R. Rider, In Introduction to Modern Statistical Methods, John Wiley & Sons, New York, 1939, p. 58.
M. Ezekiel, K. A. Fox, Methods of Correlation and Regression Analysis, Linear and Curvilinear, Third Edition, John Wiley & Sons, New York, 1959; Section II, pp. 55–150.
Handbook of Chemistry and Physics, (Editor:R. C. Weast) CRC Press, Cleveland, Ohio: 54th edition, 1973–1974.
E. Kováts in: Gas Chromatography 1968. (Editors:C.L.A. Harbourn andR. Stock) Institute of Petroleum, London, 1969, p. 73.
N. Dimov, P. Papazova, Chromatographia12, 720 (1979).
N. Dimov, OV. Mekenyan, Anal. Chim. Acta212, 317 (1988).
G. Tarján, Á. Kiss, G. Kocsis, S. Mészáros, J. M. Takács, J. Chromatogr.119, 327 (1976).
N. P. Dimov, J. Chromatogr.360, 25 (1986).
L. Rohrschneider, Chromatographia2, 437 (1969).
L. S. Ettre, Chromatographia13, 73 (1980).
R. V. Golovnya, D. N. Grigoryeva, Chromatographia17, 613 (1983).
H. Lamparczyk, A. Radeczki, Chromatographia18, 615 (1984).
M. V. Budahegyi, E. R. Lombosi, T. S. Lombosi, S. Y. Mészáros, Sz. Nyiredy, G. Tarján, I. Timár, J. M. Takács, J. Chromatogr.271, 213 (1983).
K. Héberger, S. Kemény, T. Vidóczy, Int. J. Chem. Kinet.19, 171 (1987).
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Héberger, K. Discrimination between linear and non-linear models describing retention data of alkylbenzenes in gas-chromatography. Chromatographia 29, 375–384 (1990). https://doi.org/10.1007/BF02261306
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DOI: https://doi.org/10.1007/BF02261306