Regensburg 2019 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 51: Poster: Stat. Phys., Comp. Meth

DY 51.11: Poster

Thursday, April 4, 2019, 15:00–18:00, Poster B2

Serially-Connected Domain Model for Phase Transitions in Disordered Porous Solids — •Henry R.N.B. Enninful, Adrianna Wójciak, Dirk Enke, and Rustem Valiullin — Leipzig University, Leipzig, Germany

Detailed elucidation of the pore structure of (nano-)porous solids is important for their optimization for various applications such as energy storage, separations and catalysis. While existing characterization approaches work well for ordered, single-pore mesoporous solids, the complex morphological structure of pore network and accompanying them cooperativity effects in phase transitions render the currently used approaches inapplicable for disordered materials.

In this work, we demonstrate the potentials of a recently developed connected domain model (CDM), which intrinsically contains both the structural complexity and cooperativity effects [1]. It is essentially based on a statistical average over linear chains of pores connected to each other and takes account of the change of the transition mechanisms depending on the phases state in adjacent pores. The model is validated by comparing its predictions to the results of GCMS simulations and is further used to rationalize the freezing and melting transitions in a family of porous glasses with different pore sizes.

[1] D. Schneider; D. Kondrashova; R. Valiullin, *Phase transitions in disordered mesoporous solids*, Scientific Reports, 2017, 7, 7216.