Kowalczyk, Piotr - Murdoch University - School of Engineering and Information Technology

研究领域

A central focus of my research program is to develop simulation methods and representative samples of porous materials that reveal, with new depth, the mechanistic details of confinement effects that are central to molecular separations and catalysis. The nature of this effort is three-fold: firstly, we have worked from the foundation of rigorous quantum statistical mechanics and semiclassical dynamics to developed molecular simulation techniques that significantly expand the scope and reliability of condensed-phase quantum equilibrium and dynamics simulations in restricted geometries at finite temperatures. Secondly, we have overcome limitations in atomistic reconstruction of porous materials to dramatically improve the description of poroelastic properties of materials with heterogeneous structure of micropores. And finally, we have played a leading role in the application of such methods to elucidate genuinely complex systems, including quantum-effect-induced sieving and freezing of quantum particles in restricted geometries, hydrogen and methane storage by physisorption, adsorption-induced deformation of microporous carbons, and adsorptive/perm-selective separations of fluid mixtures.

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Wisniewski, M., Furmaniak, S., Terzyk, A., Gauden, P., Kowalczyk, P., (2015), Properties of Phenol Confined in Realistic Carbon Micropore Model Experiment and Simulation, The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 119, 34, pages 19987 - 19995. Furmaniak, S., Wisniewski, M., Werengowska-Ciecwierz, K., Terzyk, A., Hata, K., Gauden, P., Kowalczyk, P., Szybowicz, M., (2015), Water at Curved Carbon Surface: Mechanisms of Adsorption Revealed by First Calorimetric Study, The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 2015, 119, pages 2703 - 2715. Kowalczyk, P., Terzyk, A., Gauden, P., Furmaniak, S., Kaneko, K., Miller, T., (2015), Nuclear Quantum Effects in the Layering and Diffusion of Hydrogen Isotopes in Carbon Nanotubes, Journal of Physical Chemistry Letters, 6, 17, pages 3367 - 3372. Furmaniak, S., Koter, S., Terzyk, A., Gauden, P., Kowalczyk, P., Rychlicki, G., (2015), New insights into the ideal adsorbed solution theory, Physical Chemistry Chemical Physics, 17, 11, pages 7232 - 7247. Kowalczyk, P., Terzyk, A., Gauden, P., Furmaniak, S., Pantatosaki, E., Papadopoulos, G., (2015), Intrinsic D2/H2 Selectivity of NaX Zeolite: Interplay between Adsorption and Kinetic Factors, The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 119, 27, pages 15373 - 15380. Kowalczyk, P., Ciach, A., Terzyk, A., Gauden, P., Furmaniak, S., (2015), Effects of Critical Fluctuations on Adsorption-Induced Deformation of Microporous Carbons, The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 119, , pages 6111 - 6120.