C2 Adsorption of Organic Components from Fluid Mixtures on Functionalized Mesoporous Materials: Experiments und Simulation

Processing of the project:

Isabella Jung, M.Sc., Institute of Thermal Separation Processes


Prof. Dr.-Ing. Irina Smirnova, Prof. Dr.-Ing. habil. Dr. h.c. Stefan Heinrich



The aim of this work is the novel quantitative characterization of the surface structure of native and coated biopolymers using inverse supercritical fluid chromatography (SFC) to optimize loading and release processes of sensitive substances.

  • Preparation and analysis of highly porous biopolymer aerogel particles in micrometer range.
  • Modification of hydrophilic aerogel surface by post-processing via cold plasma polymerization.
  • Experimental characterization of the biopolymer substrates by chromatographic and thermodynamic parameters using SFC.
    • Determination of retention parameters of different polar substances from the food and pharam sectors on the biopolymer aerogels.

Figure 1: Sample preparation and chromatographic analysis in SFC.

  • Model-based description of the interactions between aerogel-stationary-phase and organic substances using a semi-empirical sorption model (short: LSER model).
    • Interpretation of the chemical contributions on the aerogel surface.
    • Prediction of adsorption behavior of not yet tested organic substances on biopolymer aerogels.

  • Simulation of adsorption behavior using  cellular automata model in combination with Lattice-Boltzmann theory.


Methods and working program:


  • Production of mesoporous aerogel particles:


Figure 2: Production of aerogel substrates.

  • Stationary phases from different biopolymer particles are obtained using different production processes: Gel particle production by spray- (two-substance nozzle) and wet-milling-processes (colloid mill).

Figure 3: Methods of microparticle production.

  • The synthesis of biopolymer gels is followed by a one-step solvent exchange with ethanol (99.8 %). The alcohol particles are then subjected to supercritical drying at 120 bar and 60 °C in a high-pressure autoclave.