dr inż. Joanna Grabowska
Employment
- Assistant Professor at Department of Physical Chemistry
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Contact
- joanna.grabowska@pg.edu.pl
Assistant Professor
- Workplace
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Budynek A Wydz. Chemii
room 219 open in new tab - joanna.grabowska@pg.edu.pl
Publication showcase
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
Using computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
In this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface
Using computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed. We found that the ice and the protein interact at least as early as when the protein is about 1 nm away from the ice surface. These interactions are mediated by interfacial solvation water and are possible thanks to the structural ordering of the solvent. This ordering leads to positional preference of the protein...
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