Messanae Universitas Studiorum: No conditions. Results ordered -Date Deposited. 2017-03-25T17:32:14ZEPrintshttp://cab.unime.it/images/sitelogo.pnghttp://cab.unime.it/mus/2012-09-19T09:28:07Z2012-09-20T09:41:09Zhttp://cab.unime.it/mus/id/eprint/585This item is in the repository with the URL: http://cab.unime.it/mus/id/eprint/5852012-09-19T09:28:07ZL'espansione del viriale per una miscela binaria di sfere rigideWe discuss the virial expansion for a binary mixture of unequal hard spheres and review some recent numerical calculations of the fourth and fifth virial coefficients performed with the Monte Carlo method over an exhaustive range of diameter ratios.Franz SaijaPaolo Vittorio Giaquinta2009-11-26Z2010-04-13T11:14:47Zhttp://cab.unime.it/mus/id/eprint/539This item is in the repository with the URL: http://cab.unime.it/mus/id/eprint/5392009-11-26ZStatistical entropy and clustering in absence of attractive terms in the interparticle potentialRecently a new intriguing class of systems has been introduced, the so-called generalized exponential models, which exhibit clustering phenomena even if the attractive term is missing in their interaction potential. This model is characterized by a index n which tunes the repulsive penetrability of the potential. This family of potentials can represent the effective interactions for a large number of soft matter systems. In this paper we study the structural and thermodynamic properties in the fluid regime of the generalized exponential model with a value of index n suggested by Mladek et al. [B. M. Mladek, G. Kahl, and C. N. Likos, Phys. Rev. Lett. (2008)] to fit the effective potential of a typical amphiphilic dendrimers. We use the conventional approach of the liquid state theory based on the hypernetted chain closure of the Ornstein-Zernike equation together with some Monte Carlo numerical simulations. Moreover, we try to detect qualitatively the freezing line exploiting the predictive properties of a one-phase rule based on the expansion of the statistical entropy.Franz Saija2007-04-16Z2010-04-13T11:17:46Zhttp://cab.unime.it/mus/id/eprint/427This item is in the repository with the URL: http://cab.unime.it/mus/id/eprint/4272007-04-16ZMelting line of Krypton in extreme thermodynamic regimesWe have performed extensive computer simulations of the thermodynamic and structural properties of the krypton rare gas modeled by the modified Buckingham exponential-6 interatomic potential. Using a new set of potential parameters, we have found a good agreement with the room temperature equation of state at very high pressure obtained by diamond anvil cell experiments. Moreover, the melting line of the model has been estimated through the Lindemann criterion; the agreement with the low-pressure experiments is excellent, whereas at higher pressure, the model poorly reproduces the typical softening of the experimental melting curve.
Emanuela GiuffrÃ¨Franz Saija2007-04-16Z2010-04-13T11:17:35Zhttp://cab.unime.it/mus/id/eprint/428This item is in the repository with the URL: http://cab.unime.it/mus/id/eprint/4282007-04-16ZA possible mechanism underlying the anomalous dielectric response in concentrated methanol-in-carbon tetrachloride mixturesThe association of CCl4 with the non-donating ends of open (chain-like)methanol aggregates, is shown to be relevant in the occurrence of positive deviations of the static dielectric constant with respect to ideality in methanol/CCl4 mixtures. This interaction
tends to reduce in fact the fraction of methanol aggregated in cyclic clusters.
This hypothesis is suggested by the comparison with the data of lattice calculations for the equilibrium distribution of methanol clusters.Marco PierucciniFranz Saija