Summary
A new method for prediction of gas chromatographic retention times and peak half widths is based on the renewal theory. The only requirements are the heats of vaporization of the compounds to be separated and one calibration measurement. With this data, retention times and peak half widths can be predicted for isothermal as well as temperature-programmed gas chromatography. For the separation of non-polar substances on non-polar stationary phases the prediction error for retention times is approx. 1–2%. First simulations of polar molecules and polar stationary phases indicate that this method is also applicable in these cases but some extension will be required.
Similar content being viewed by others
References
A. J. P. Martin, R. L. Synge, Biochem. Journal35, 1358 (1941).
A. T. James, A. J. P. Martin, International Congress on Analytical Chemistry, Vol.77, 915 (1952).
J. C. Giddings, Dynamics of Chromatography, Part I, Principles and Theory, Dekker, New York 1965.
E. Grushka, L. R. Snyder, J. H. Knox, J. Chrom. Sci.13, 25 (1975).
D. M. Scott, J. S. Fritz, Anal. Chem.55, 127 (1984).
D. R. Cox, Renewal Theory, Methuen, London 1962.
D. Barcelo, M. T. Galceran, Chromatographia23, 481 (1987).
J. Bermejo, C. G. Blanco, M. A. Diez, M. D. Guillen, Chromatographia23, 33 (1987).
L. Buydens, D. L. Massart, P. Gerlings, Anal. Chem.55, 738 (1983).
Chen Bangjie, Guo Xijian, Peng Shaoyi, Chromatographia23, 888 (1987).
W. J. Dunn, M. Koehler, D. L. Stalling, T. R. Schwartz, Anal. Chem.58, 1835 (1986).
M. D. Hale, F. D. Hileman, T. Mazer, T. L. Shell, R. W. Noble, J. J. Brooks, Anal. Chem.57, 640 (1985).
R. H. Rohrbaugh, P. C. Jurs, Anal. Chem.58, 1210 (1986).
D. G. Gelderloos, K. L. Rowlen, J. W. Birks, J. P. Avery, C. G. Enke, Anal. Chem.58, 900 (1986).
M. H. Noor, P. C. Jurs, Anal. Chem.55, 263 (1983).
K. Jinno, T. Hondo, M. Saito, Chromatographia20, 351 (1985).
K. Jinno, M. Kuwajima, Chromatographia23, 631 (1987).
K. Jinno, E. Tanigawa, Chromatographia23, 675 (1987).
K. Jinno, M. Yamagami, M. Kuwajima, Chromatographia25, 974 (1988).
E. Marengo, C. Baiocchi, M. C. Gennaro, P. Bertolo Chromatographia27, 19 (1989).
M. A. Quarry, R. L. Grob, L. R. Snyder Anal. Chem.58, 907. (1986).
S. A. Tomelli, R. A. Hartwick, H. B. Woodruff, Anal. Chem.57, 811 (1985).
S. A. Tomelli, Shih-Hsien Hsu, R. A. Hartwick, Anal. Chem.58, 904 (1986).
R. C. West (ed.), CRC Handbook of Chemistry and Physics, CRC Press, Boca Raton 1982.
J. R. Partington An Advanced Treatise on Physical Chemistry, Vol. 1, The Properties of Gases, Longmans, London 1967.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Wernekenschnieder, M., Zinn, P. Monte-carlo simulation of gas chromatographic separation for the prediction of retention times and peak half widths. Chromatographia 28, 241–248 (1989). https://doi.org/10.1007/BF02260768
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF02260768