Computer simulation of the separation of a two-component mixture in preparative scale liquid chromatography

Journal Article · Thu Jun 16 04:00:00 EDT 1988 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100323a069· OSTI ID:6289197

Guiochon, G; Ghodbane, S

A model describing the propagation of a binary mixture at finite concentration in nonlinear liquid chromatography is discussed. This model consists of two mass balance equations, one for each solute. A finite difference method is used to derive numerical solutions of this set of nonlinear partial differential equation with boundary conditions corresponding to the elution of large concentration bands. These solutions describe the shape of the elution profiles of partially resolved compounds. Although the model used corresponds to ideal chromatography (constant equilibrium between the mobile and stationary phase, i.e., infinite column efficiency), it is possible to simulate the smoothing effect of a finite column efficiency by properly selecting the differential space element in the numerical integration. The numerical solutions appear to converge satisfactorily toward a stable solution of the system of equations provided the Courant-Friedrichs-Lewy (CFL) criterion is met in the choice of the integration parameters. The profiles obtained are very realistic and fare quite well with experimental results retrieved from the literature. Some of the results obtained are discussed in detail.

• Research Organization: Univ. of Tennessee, Knoxville (USA)
• OSTI ID: 6289197
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 92:12; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
BINARY MIXTURES
CHROMATOGRAPHY
COMPUTERIZED SIMULATION
DATA
DIFFERENTIAL EQUATIONS
DISPERSIONS
EQUATIONS
FINITE DIFFERENCE METHOD
INFORMATION
ITERATIVE METHODS
LIQUID COLUMN CHROMATOGRAPHY
MATERIAL BALANCE
MIXTURES
NUMERICAL DATA
NUMERICAL SOLUTION
PARTIAL DIFFERENTIAL EQUATIONS
SEPARATION PROCESSES
SIMULATION
THEORETICAL DATA