Pregled bibliografske jedinice broj: 260213
Density coorelations in water and organic solvents
Density coorelations in water and organic solvents // Methods in Molecular Simulation Summer School 2006
Cardiff, Ujedinjeno Kraljevstvo, 2006. (poster, nije recenziran, neobjavljeni rad, znanstveni)
CROSBI ID: 260213 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Density coorelations in water and organic solvents
Autori
Zoranić, Larisa ; Sokolić, Franjo ; Perera Aurelién
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
Methods in Molecular Simulation Summer School 2006
Mjesto i datum
Cardiff, Ujedinjeno Kraljevstvo, 17.07.2006. - 25.07.2006
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
radial distribution function; Kirkwood-Buff integral
Sažetak
The radial distribution functions of water models as well as methanol and acetone models are revisited with the aim of determining the structure beyond the first neighbours which lies in the medium of long range intermolecular distances. The limit of radial distribution function it is discussed in relation to the reproducibility of experimental Kirkwood-Buff integrals (KBI). The convergence of the Lennard-Jones and Coulomb parts of the energies is equally tested. We show that the differences between water models and also between water and organic solvent, as seen in the KBI and energies reveals the underlying complexities of their structures.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
