Dresden 2009 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 17: Confined Fluids

CPP 17.9: Talk

Tuesday, March 24, 2009, 11:45–12:00, ZEU 160

Modelling pore lattice deformations during sorption and capillary condensation of fluids in ordered mesoporous silica — •Dirk Müter, Johannes Prass, and Oskar Paris — Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany

Sorption and capillary condensation of fluids in nanoporous silica materials like SBA-15 and MCM-41 can cause considerable deformations on the pore lattice[1]. Since these materials are promissing candidates for a wide range of applications (e.g. catalysts and filters) their deformation behaviour and mechanical stability are important fields of current interest. While the fundamental physical effects can be understood and modelled with simple pore models using Monte Carlo[1] or Molecular Dynamics simulations, the complex mechanical response of the whole pore lattice is not covered by these models. In this talk, the deformations of model crystallites under external and internal loads are calculated using the Finite-Elements-Method and their dependence on the porosity is analysed. The Finite-Element results are used to produce scattering curves which are compared to small angle x-ray scattering data from in-situ sorption experiments.

[1] Günther et al., Phys. Rev. Lett., 101 (2008)