title: A novel thermodynamic state recursion method for description of nonideal nonlinear chromatographic process of frontal analysis.
abstract: A novel thermodynamic state recursion (TSR) method, which is based on nonequilibrium thermodynamic path described by the Lagrangian-Eulerian representation, is presented to simulate the whole chromatographic process of frontal analysis using the spatial distribution of solute bands in time series like as a series of images. TSR differs from the current numerical methods using the partial differential equations in Eulerian representation. The novel method is used to simulate the nonideal, nonlinear hydrophobic interaction chromatography (HIC) processes of lysozyme and myoglobin under the discrete complex boundary conditions. The results show that the simulated breakthrough curves agree well with the experimental ones. The apparent diffusion coefficient and the Langmuir isotherm parameters of the two proteins in HIC are obtained by the state recursion inverse method. Due to its the time domain and Markov characteristics, TSR is applicable to the design and online control of the nonlinear multicolumn chromatographic systems.
authors: Separation Science Institute, the Key Laboratory of Biomedical Information Engineering of Education Ministry, Xi'an Jiaotong University, Xi'an, P R China.
authors: Qian
authors: Q
authors: Liu
authors: Liangfei
authors: L
authors: OuYang
authors: Heng
authors: H
authors: Liang
authors: Nan
authors: N
authors: Li
authors: Xindu
authors: X
authors: Geng
mesh_terms: D002853:Chromatography, Liquid / Q000295:instrumentation / Q000379:methods*; D057927:Hydrophobic and Hydrophilic Interactions; D009113:Muramidase / Q000737:chemistry / Q000302:isolation & purification*; D009211:Myoglobin / Q000737:chemistry / Q000302:isolation & purification*; D013816:Thermodynamics
chemical_list: D009211:Myoglobin; D009113:Muramidase