8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

P2.74Tue 611:23-14:00Percolation line and response functions in supercriticalwaterJiri Skvor, 1 Jan Jirsak, 1 and Ivo Nezbeda 11 Faculty of Science, J. E. Purkinje University, Ceske mladeze 8, 400 96, Usti nad Labem,Czech RepublicThe question of a physical relevance (meaning) of the percolation line in supercritical fluidsis still open. Therefore we extend our previous work [1], which was aimed at simple fluids,to water, where strongly orientation-dependent attractive interactions are present. We use bothextensive Monte Carlo simulations in the NV T ensemble and accurate analytical equations ofstate for the primitive model of water [2] employed in this study. The numerical procedure for thedetermination of the percolation threshold and two different bond criteria, the physical and theconfigurational ones, defining a cluster are applied according to Ref. [3]. Several thermodynamicand structural properties are then studied in the vicinity of corresponding percolation lines overa range of pressures and their behavior is compared with the one observed in the case of simplefluids.[1] J. Skvor, I. Nezbeda, Mol. Phys. 109, 133 (2011).[2] L. Vlcek, I. Nezbeda, Mol. Phys. 102, 771 (2004).[3] J. Skvor, I. Nezbeda, Phys. Rev. E 79, 041141 (2009).74