Determination of isotherms from chromatographic peak shapes

A new method for determining equilibrium isotherms from chromatographic peak shapes is presented. It differs from alternative methods like elution by characteristic point in that the present method accounts for the finite efficiency of real chromatographic columns, and so the new method is used to its best advantage in systems of low plate number. In the new method, initial estimates of the parameters of an isotherm equation are refined by finding simulated chromatographic peak shapes that most nearly approximate the experimental peak shapes. A series of example determinations demonstrate the method's utility

[1]  G. Guiochon,et al.  Measurement of the heats of adsorption of chiral isomers on an enantioselective stationary phase , 1990 .

[2]  G. Guiochon,et al.  Chromatographic band profiles and band separation of enantiomers at high concentration , 1990 .

[3]  G. Guiochon,et al.  Solutions of the equilibrium and semi-equilibrium models of chromatography , 1990 .

[4]  G. Guiochon,et al.  Calibrating detector responses using chromatographic peak shapes , 1990 .

[5]  F. Antia,et al.  Gradient elution in non-linear preparative liquid chromatography , 1989 .

[6]  C. K. Lee,et al.  Mass transfer effects in isocratic non-linear elution chromatography , 1989 .

[7]  J. Ahlers,et al.  Correlation between the lipophilicity of substituted phenols and their inhibition of the Na+/K+-ATPase of Chinese hamster ovary cells. , 1989, Toxicology.

[8]  E. C. D. Lara,et al.  Adsorption of oxygen molecule in NaA zeolite: Isotherms and infrared measurements , 1989 .

[9]  M. Khaledi,et al.  Quantitation of hydrophobicity with micellar liquid chromatography , 1989 .

[10]  B. Sébille,et al.  Determination of binding equilibrium constants by numerical simulation in zonal high-performance affinity chromatography , 1988 .

[11]  G. Guiochon,et al.  Computer simulation of the propagation of a large-concentration band in liquid chromatography , 1988 .

[12]  M. Khaledi Bioanalytical capabilities of micellar liquid chromatography , 1988 .

[13]  M. Khaledi,et al.  Retention behavior of homologous series in reversed-phase liquid chromatography using micellar, hydro-organic, and hybrid mobile phases , 1987 .

[14]  C. Horváth,et al.  Adsorption isotherms on high-performance liquid chromatographic sorbents. II. Proteins on cation exchangers with silica support. , 1987, Journal of chromatography.

[15]  E. Dose Off-line optimization of gas chromatographic temperature programs , 1987 .

[16]  C. Horváth,et al.  Adsorption isotherms on high-performance liquid chromatographic sorbents. I. Peptides and nucleic acid constituents on octadecyl-silica. , 1987, Journal of chromatography.

[17]  K. Valko The role of chromatography in drug design , 1987 .

[18]  E. L. Fuller,et al.  Accurate sorption isotherms using a computer‐aided microgravimetric method , 1987 .

[19]  S. Milonjić,et al.  Adsorption of aliphatic, alicyclic, and aromatic hydrocarbons on poly(ethylvinylbenzene-divinylbenzene) adsorbent at from effective zero to finite adsorbate surface coverage , 1986 .

[20]  G. Guiochon,et al.  Study of peak profiles in nonlinear gas chromatography. 2. Determination of the curvature of isotherms at zero surface coverage on graphitized carbon black , 1984 .

[21]  Georges Guiochon,et al.  Study of peak profiles in nonlinear gas chromatography. 1. Derivation of a theoretical model , 1984 .

[22]  A. Gustavsson,et al.  Design and evaluation of modified simplex methods , 1982 .

[23]  R. Li,et al.  Use of dipole moment as a parameter in drug-receptor interaction and quantitative structure-activity relationship studies. , 1982, Journal of pharmaceutical sciences.

[24]  A. V. Kiselev,et al.  Study of adsorption from solutions on silica by liquid chromatography method , 1981 .

[25]  Shmuel Katz,et al.  The adsorption of hydrocarbons on cellophaneI. Zero coverage limit , 1981 .

[26]  G. Guiochon,et al.  Chromatographic determination of gas—solid adsorption isotherms by the step and pulse method: I. Apparatus and data processing , 1977 .

[27]  G. Guiochon,et al.  Chromatographic determination of gas—solid adsorption isotherms by the step and pulse method: II. Choice of a model for the adsorption isotherm of benzene and cyclohexane on graphitized carbon black , 1977 .

[28]  A. Leo,et al.  Substituent constants for correlation analysis. , 1977, Journal of medicinal chemistry.

[29]  Katsuichiro Komatsu,et al.  van der Waals Volume and the Related Parameters for Hydrophobicity in Structure-Activity Studies , 1976 .

[30]  G. Guiochon,et al.  Determination of Gas-Liquid and Gas-Solid Equilibrium Isotherms by Chromatography: II. Apparatus, Specifications, and Results , 1976 .

[31]  G. Guiochon,et al.  Determination of Gas-Liquid and Gas-Solid Equilibrium Isotherms by Chromatography: I. Theory of the Step-and-Pulse Method , 1976 .

[32]  J. Conder Thermodynamic measurement by gas chromatography at finite solute concentration , 1974 .

[33]  Hiroshi Akima,et al.  A New Method of Interpolation and Smooth Curve Fitting Based on Local Procedures , 1970, JACM.

[34]  C. Hansch Quantitative approach to biochemical structure-activity relationships , 1969 .

[35]  P. Kipping,et al.  Measurement of Adsorption Isotherms by a Gas Chromatographic Technique , 1965, Nature.

[36]  R. Petrova,et al.  Effect of Pore Size of Silica Gels on the Separation of Hydrocarbons. , 1964 .

[37]  F. Helfferich,et al.  Accurate Chromatographic Method for Sorption Isotherms and Phase Equilibria , 1963, Science.

[38]  R. M. Muir,et al.  Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients , 1962, Nature.

[39]  Erika Cremer,et al.  Messung von Adsorptionsisothermen an Katalysatoren bei hohen Temperaturen mit Hilfe der Gas-Festkörper-Eluierungschromatographie , 1961 .

[40]  R. Stock Determination of Surface Area by Gas Chromatography , 1961 .

[41]  E. Teller,et al.  ADSORPTION OF GASES IN MULTIMOLECULAR LAYERS , 1938 .

[42]  R. Courant,et al.  Über die partiellen Differenzengleichungen der mathematischen Physik , 1928 .

[43]  G. Guiochon,et al.  Adsorption behaviour of albumin and conalbumin on TSK-DEAE 5PW anion exchanger , 1990 .

[44]  G. Carta Exact analytic solution of a mathematical model for chromatographic operations , 1988 .

[45]  S. Cramer,et al.  Displacement chromatography of biomolecules. , 1988, Journal of chromatography.

[46]  J. Jönsson,et al.  Determination of adsorption isotherms from chromatographic measurements, using the peak maxima method , 1987 .

[47]  H. Borén,et al.  Direct liquid chromatographic separation of enantiomers on immobilized protein stationary phases : III. Optical resolution of a series of N-aroyl d,l-amino acids by high-performance liquid chromatography on bovine serum albumin covalently bound to silica , 1983 .

[48]  A. Musch,et al.  Quantitative structure-activity relationships in fish toxicity studies. Part 2: the influence of pH on the QSAR of chlorophenols. , 1981, Toxicology.

[49]  R. Gerritse,et al.  Evaluation of dynamic gas chromatographic methods for the determination of adsorption and solution isotherms , 1971 .

[50]  D. R. Martin,et al.  An improvement in the elution technique for measurement of adsorption isotherms by gas chromatography , 1970 .

[51]  E. Glueckauf,et al.  Theory of chromatography. Part 10.—Formulæ for diffusion into spheres and their application to chromatography , 1955 .

[52]  C. S. G. Phillips,et al.  The chromatography of gases and vapours. Part III. The determination of adsorption isotherms , 1954 .

[53]  J. Coates,et al.  240. Theory of chromatography. Part III. Experimental separation of two solutes and comparison with theory , 1947 .

[54]  E. Glueckauf,et al.  239. Theory of chromatography. Part II. Chromatograms of a single solute , 1947 .