Numerical modeling of the elution peak profiles of retained solutes in supercritical fluid chromatography

Journal Article · Sat Jan 01 04:00:00 EST 2011 · Journal of Chromatography A

DOI:https://doi.org/10.1016/j.chroma.2011.07.022· OSTI ID:1041482

Kaczmarski, Krzysztof ^[1]; Guiochon, Georges A ^[2]

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1. University of Tennessee and Rzeszow University of Technology, Poland
2. ORNL

In supercritical fluid chromatography (SFC), the significant expansion of the mobile phase along the column causes the formation of axial and radial gradients of temperature. Due to these gradients, the mobile phase density, its viscosity, its velocity, its diffusion coefficients, etc. are not constant throughout the column. This results in a nonuniform flow velocity distribution, itself causing a loss of column efficiency in certain cases, even at low flow rates, as they do in HPLC. At high flow rates, an important deformation of the elution profiles of the sample components may occur. The model previously used to account satisfactorily for the retention of an unsorbed solute in SFC is applied to the modeling of the elution peak profiles of retained compounds. The numerical solution of the combined heat and mass balance equations provides the temperature and the pressure profiles inside the column and values of the retention time and the band profiles of retained compounds that are in excellent agreement with independent experimental data for large value of mobile phase reduced density. At low reduced densities, the band profiles can strongly depend on the column axial distribution of porosity.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1041482
• Journal Information: Journal of Chromatography A, Journal Name: Journal of Chromatography A Journal Issue: 37 Vol. 1218; ISSN 0021-9673; ISSN JOCRAM
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
DEFORMATION
DIFFUSION
DISTRIBUTION
EFFICIENCY
FLOW RATE
HEAT TRANSFER
HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY
MASS BALANCE
NUMERICAL SOLUTION
POROSITY
RETENTION
SIMULATION
SOLUTES
SUPERCRITICAL FLUID CHROMATOGRAPHY
VELOCITY
VISCOSITY