5 papers
Characterizing the stepwise transformation from a low-density to a very-high-density form of supercooled liquid water
Dietmar Paschek, Alfons Geiger
We explore the phase diagram of TIP4P-Ew [J. Chem. Phys. {\bf 120}, 9665 (2004)] liquid model water from the boiling-point down to at densities ranging from $0.950 {g} {c…
Percolation transition of hydration water at hydrophilic surfaces
A. Oleinikova, I. Brovchenko, A. Geiger
An analysis of water clustering is used to study the quasi-2D percolation transition of water adsorbed at planar hydrophilic surfaces. Above the critical temperature of the layerin…
Adding Salt to an Aqueous Solution of t-Butanol: Is Hydrophobic Association Enhanced or Reduced?
Dietmar Paschek, Alfons Geiger, Momo Jeufack Herve +1
Recent neutron scattering experiments on aqueous salt solutions of amphiphilic t-butanol by Bowron and Finney [Phys. Rev. Lett. {\bf 89}, 215508 (2002); J. Chem. Phys. {\bf 118}, 8…
The percolation transition of hydration water: from planar hydrophilic surfaces to proteins
Alla Oleinikova, Ivan Brovchenko, Nikolai Smolin +3
The formation of a spanning hydrogen-bonded network of hydration water is found to occur via a 2D percolation transition in various systems: smooth hydrophilic surfaces, the surfac…
Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models
Ivan Brovchenko, Alfons Geiger, Alla Oleinikova
Liquid-liquid and liquid-vapor coexistence regions of various water models were determined by MC simulations of isotherms of density fluctuation restricted systems and by Gibbs ens…