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Kinetics & Modeling

Kinetics and Modeling of Polymerization Reactions and Polymer Modifications

Our approach

We support all phases in the life cycle of your product or process with our versatile array of experimental equipment and our experienced team of specialists. We offer advice before starting a project, identify key parameters and suitable experimental techniques, discuss polymer physical and reaction engineering problems, select the appropriate modeling environment and develop models that accurately reflect your process. Methods:

  • ATR-FTIR spectroscopy for temperatures from -40 °C to 250 °C and pressures up to 250 bar;
  • Raman spectroscopy (excitation 633 nm and 785 nm);
  • combined heat balance/heat compensation calorimeter (isothermal operation for heat production rates up to 1 kW, isoperibolic/polytropic or adiabatic); temperatures from -110 °C to 300 °C; pressures up to 50 bar;
  • combined heat balance/heat compensation calorimetry coupled with online ATR-FTIR or Raman spectroscopy;
  • stopped-flow instruments with ATR-FTIR or UV spectroscopy for gas-phase and liquid-phase experiments; resolution in the millisecond range;
  • special apparatus for pressures up to 250 bar and temperatures up to 350 °C;
  • new and efficient methods for determining transfer coefficients and copolymerization parameters;
  • HPLC, gradient HPLC (RI, UV and light scattering detectors);
  • GPC (RI and UV detectors);
  • GC, GC-MS, headspace GC;
  • other analytical methods available from Bayer Industry Services (GPC-HPLC, GPC-MALLS, GPC-VISC, tFFF, various MS techniques, NMR, ultracentrifuge, AFM, ...).

Software:

  • gPROMS®;
  • Aspen Custom Modeler®;
  • PREDICI®;
  • Speed-up® ;
  • our own Windows- or Unix-based programs (Kinetic Monte Carlo simulations).
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