Effective Magnetic Hamiltonian and Ginzburg Criterion for Fluids

We develop further the approach of Hubbard and Schofield (Phys.Lett., A40 (1972) 245), which maps the fluid Hamiltonian onto a magnetic one. We show that all coefficients of the resulting effective Landau-Ginzburg-Wilson (LGW) Hamiltonian may be expressed in terms of the compressibility of a reference fluid containing only repulsive interactions, and its density derivatives; we calculate the first few coefficients in the case of the hard-core reference fluid. From this LGW-Hamiltonian we deduce approximate mean-field relations between critical parameters and test them on data for Lennard-Jones, square-well and hard-core-Yukawa fluids. We estimate the Ginzburg criterion for these fluids.Comment: 4 pages, LaTeX, To appear in Phys.Rev.

Antifungal ativity against Botryosphaeriaceae fungi of the hydro-methanolic extract of Silybum marianum capitula conjugated with stevioside

Silybum marianum (L.) Gaertn, viz. milk thistle, has been the focus of research efforts in the past few years, albeit almost exclusively restricted to the medicinal properties of its fruits (achenes). Given that other milk thistle plant organs and tissues have been scarcely investigated for the presence of bioactive compounds, in this study, we present a phytochemical analysis of the extracts of S. marianum capitula during the flowering phenological stage (stage 67). Gas chromatography–mass spectroscopy results evidenced the presence of high contents of coniferyl alcohol (47.4%), and secondarily of ferulic acid ester, opening a new valorization strategy of this plant based on the former high-added-value component. Moreover, the application of the hydro-methanolic extracts as an antifungal agent has been also explored. Specifically, their activity against three fungal species responsible for the so-called Botryosphaeria dieback of grapevine (Neofusicoccum parvum, Dothiorella viticola and Diplodia seriata) has been assayed both in vitro and in vivo. From the mycelial growth inhibition assays, the best results (EC90 values of 303, 366, and 355 μg·mL−1 for N. parvum, D. viticola, and D. seriata, respectively) were not obtained for the hydroalcoholic extract alone, but after its conjugation with stevioside, which resulted in a strong synergistic behavior. Greenhouse experiments confirmed the efficacy of the conjugated complexes, pointing to the potential of the combination of milk thistle extracts with stevioside as a promising plant protection product in organic Viticulture

On the triplet structure of binary liquids

An approach to calculate the triplet structure of a simple liquid, that was proposed some years ago by Barrat, Hansen, and Pastore ͓Phys. Rev. Lett. 58, 2075 ͑1987͔͒ has been tested in the binary case. This approach is based on a factorization ansatz for the triplet direct correlation function c (3) ; the unknown factor function is determined via the sum rule relating c (3) and the pair direct correlation function which is the only input information of the system that is required in this formalism. We present an efficient and stable numerical algorithm which solves the six ͑partly coupled͒ integral equations for the unknown factor functions. Results are given for the case of a binary hard-sphere mixture and complemented by computer simulation data

On the triplet structure of binary liquids

An approach to calculate the triplet structure of a simple liquid, that was proposed some years ago by Barrat, Hansen, and Pastore ͓Phys. Rev. Lett. 58, 2075 ͑1987͔͒ has been tested in the binary case. This approach is based on a factorization ansatz for the triplet direct correlation function c (3) ; the unknown factor function is determined via the sum rule relating c (3) and the pair direct correlation function which is the only input information of the system that is required in this formalism. We present an efficient and stable numerical algorithm which solves the six ͑partly coupled͒ integral equations for the unknown factor functions. Results are given for the case of a binary hard-sphere mixture and complemented by computer simulation data

Monte Carlo study of the magnetic critical properties of the two-dimensional Ising fluid

A two-dimensional fluid of hard spheres each having a spin $\pm 1$ and interacting via short-range Ising-like interaction is studied near the second order phase transition from the paramagnetic gas to the ferromagnetic gas phase. Monte Carlo simulation technique and the multiple histogram data analysis were used. By measuring the finite-size behaviour of several different thermodynamic quantities,we were able to locate the transition and estimate values of various static critical exponents. The values of exponents $\beta/\nu$ and $\gamma/\nu$ are close to the ones for the two-dimensional lattice Ising model. However, our result for the exponent $\nu =1.35$ is very different from the one for the Ising universality class.Comment: 6 pages, 8 figures. To appear in Phys. Rev.

Critical behavior of a fluid in a disordered porous matrix: An Ornstein-Zernike approach

Using a liquid-state approach based on Ornstein-Zernike equations, we study the behavior of a fluid inside a porous disordered matrix near the liquid-gas critical point.The results obtained within various standard approximation schemes such as lowest-order $\gamma$-ordering and the mean-spherical approximation suggest that the critical behavior is closely related to that of the random-field Ising model (RFIM).Comment: 10 pages, revtex, to appear in Physical Review Letter

Ferromagnetic phase transition in a Heisenberg fluid: Monte Carlo simulations and Fisher corrections to scaling

The magnetic phase transition in a Heisenberg fluid is studied by means of the finite size scaling (FSS) technique. We find that even for larger systems, considered in an ensemble with fixed density, the critical exponents show deviations from the expected lattice values similar to those obtained previously. This puzzle is clarified by proving the importance of the leading correction to the scaling that appears due to Fisher renormalization with the critical exponent equal to the absolute value of the specific heat exponent $\alpha$. The appearance of such new corrections to scaling is a general feature of systems with constraints.Comment: 12 pages, 2 figures; submitted to Phys. Rev. Let

Crystal structures and freezing of dipolar fluids

We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the reduced symmetry compared to the nonpolar case the crystals are never strictly cubic. For the Stockmayer (i.e., Lennard-Jones plus dipolar) interaction three phases are found upon increasing the dipole moment: hexagonal, body-centered orthorhombic, and body-centered tetragonal. An even richer phase diagram arises for dipolar soft spheres with a purely repulsive inverse power law potential $\sim r^{-n}$. A crossover between qualitatively different sequences of phases occurs near the exponent $n=12$. The results are applicable to electro- and magnetorheological fluids. In addition to the exact ground state analysis we study freezing of the Stockmayer fluid by density-functional theory.Comment: submitted to Phys. Rev.