Further Reading

A curated list of textbooks, papers, tools, and communities for anyone wanting to go deeper into mechanistic chromatography modeling.

Textbooks

  • Guiochon, G., Felinger, A., Shirazi, D. G., & Katti, A. M. (2006). Fundamentals of Preparative and Nonlinear Chromatography. Academic Press.
    The definitive reference on chromatography theory. Covers equilibrium theory, mass transfer models, and nonlinear chromatography in depth. Dense but comprehensive.
  • Schmidt-Traub, H., Schulte, M., & Seidel-Morgenstern, A. (Eds.) (2020). Preparative Chromatography. Wiley-VCH, 3rd edition.
    A practical reference that bridges theory and application. Covers process design, optimization, and scale-up with worked examples. Good balance between rigor and accessibility.
  • Carta, G., & Jungbauer, A. (2020). Protein Chromatography: Process Development and Scale-Up. Wiley-VCH, 2nd edition.
    Focused on protein purification. Covers adsorption equilibria, mass transfer, column dynamics, and practical process development. Especially relevant for biopharmaceutical applications.
  • Bellot, J. C., & Condoret, J. S. (1991). Liquid Chromatography Modelling: A Review. Process Biochemistry, 26(6), 363–376.
    A review article rather than a textbook, but a useful overview of the different modeling approaches and their assumptions. Good starting point for newcomers.

Key Papers

  • Brooks, C. A., & Cramer, S. M. (1992). Steric mass-action ion exchange: Displacement profiles and induced salt gradients. AIChE Journal, 38(12), 1969–1978.
    Introduces the Steric Mass Action (SMA) model — the most widely used binding model for ion exchange chromatography.
  • Oberholzer, M. R., & Lenhoff, A. M. (1999). Protein adsorption isotherms through colloidal energetics. Langmuir, 15, 3905–3914.
    Foundation for the colloidal binding model — models lateral interactions between adsorbed molecules on the resin surface.
  • Leweke, S., & von Lieres, E. (2018). Chromatography Analysis and Design Toolkit (CADET): A comprehensive framework for fast and accurate simulation. Computers & Chemical Engineering, 113, 274–294.
    Describes the CADET simulation framework, including the numerical methods behind column model discretization and DAE solving.

Related Tools

  • CADET — Open-source chromatography simulation framework written in C++. Implements a wide range of column models, binding models, and numerical methods. The reference solver for many academic research groups.

Conferences and Communities

  • PREP Symposium — Annual conference on preparative and process chromatography. Covers a broad range of topics including modeling, scale-up, and continuous chromatography.
  • ISPPP — International Symposium on the Separation of Proteins, Peptides and Polynucleotides. Regular sessions on mechanistic modeling and process development.
  • Recovery of Biological Products — Biennial conference covering downstream bioprocessing, including chromatography modeling and simulation.
  • ACS BIOT — The Biotechnology division (BIOT) regularly features sessions on chromatography modeling, process development, and downstream processing.