Adjoint optimization for the general rate model of liquid chromatography. (2nd February 2020)

• Record Type: Journal Article
• Authors: Osterroth, Sebastian; Menstell, Peter; Schwämmle, Achim; Ohser, Joachim; Steiner, Konrad
• Is Part Of: Computers & chemical engineering. Volume 133(2020)
• Publication Date: 2020-02-02
• Subjects: Liquid chromatography -- Protein purification -- Modeling and simulation -- Adjoint method -- Parameter identification -- Confocal laser scanning microscopy; Chemical engineering -- Data processing -- Periodicals; 660.0285
• DOI: 10.1016/j.compchemeng.2019.106657
• Languages: English
• ISSNs: 0098-1354

Abstract

Highlights: Formal derivation of adjoint formulation of general rate model for optimization. Simulation of purification process for parameter identification and optimization. Comprehension of confocal laser scanning microscopy (CLSM) data. Comparison to numerical and experimental data. Abstract: Liquid chromatography is an important step in the purification of biopharmaceuticals. Here simulation is a helpful tool to assist the development and optimization of chromatographic materials and processes. The most general description of the process is the general rate model. This article describes a general approach to identify the model parameters using the adjoint method. The method minimizes the discrepancy between given (experimental) data and the simulation. As additional information, intraparticle concentration profiles can be visualized by confocal laser scanning microscopy. A method to correlate these data to protein concentrations is derived. The examples show that the approach is successful in identifying the model parameters.