this study was conducted to evaluate the quality of the groundwaters and the impact of geological units on these waters in hastijan area. for this purpose, 11 samples of water resources have been collected with their appropriate dispersal. physico-chemical parameters of mn, ni, cd, cu, zn, as fe, cr, and ions k+, na+,ca2+, mg2+, cl-, so42-, hco3- as well as indicators th, tds, ec, ph were deter...

BACKGROUND The purpose of this study was to develop, characterize, and investigate a molecular inclusion complex containing rifaldazine with good solubility and antibacterial activity. METHODS Rifaldazine, a lipophilic molecule, was encapsulated into the hydrophobic cavity of β-cyclodextrin to form a molecular inclusion complex (RAABCD) with good solubility. RAABCD was prepared in a short tim...

The calculation by computer simulation of the melting temperature and the phase diagram of different water models has been proven a stringent test of the water force field. The ice Ih melting temperature Tm is systematically underestimated. Only a few models yield more or less satisfactory values for Tm. These are 3 TIP4P/ice 270 K and TIP5P Ref. 5 272 K . The former model also gives a good des...

The ACl-ThCl4 (A = Li, Na, K) systems could be of relevance to the nuclear industry in near future. A thermodynamic investigation three binary is presented herein. excess Gibbs energy liquid solutions described using quasi-chemical formalism quadruplet approximation. phase diagram optimisations are based on experimental data available literature. stability increases order Li < Na K, agreemen...

This paper explores the use of probabilistic graphical modelling to represent and reason about temporal knowledge. The idea is that of representing concepts and variables involved diagramatically, by means of a directed graph, called an influence diagram (/D), designed to capture probabilistic dependencies between those variables. Statistical models of progression in time, such as semi­ Marko� ...

We propose a novel, to our knowledge, method for the determination of tie lines in a phase diagram of ternary lipid mixtures. The method was applied to a system consisting of dioleoylphosphatidylcholine (DOPC), egg sphingomyelin (eSM), and cholesterol (Chol). The approach is based on electrofusion of single- or two-component homogeneous giant vesicles in the fluid phase and analyses of the doma...

We report theoretical and numerical evaluations of the phase diagram for a model of patchy particles. Specifically, we study hard spheres whose surface is decorated by a small number f of identical sites ("sticky spots") interacting via a short-ranged square-well attraction. We theoretically evaluate, solving the Wertheim theory, the location of the critical point and the gas-liquid coexistence...

We evaluate the phase diagram of the "BKS" potential [Phys. Rev. Lett. 64, 1955 (1990)]], a model of silica widely used in molecular dynamics (MD) simulations. We conduct MD simulations of the liquid, and three crystals ( beta -quartz, coesite, and stishovite) over wide ranges of temperature and density, and evaluate the total Gibbs free energy of each phase. The phase boundaries are determined...

The zero temperature vortex phase diagram for uniaxial anisotropic superconductors placed in an external magnetic field tilted with respect to the axis of anisotropy is studied for parameters typical of BSCCO and YBCO. The exact Gibbs free energy in the London approximation, using a self-energy expression with an anisotropic core cutoff, is minimized numerically, assuming only that the equilibr...

This study was conducted to evaluate the quality of the groundwaters and the impact of geological units on these waters in Hastijan area. For this purpose, 11 samples of water resources have been collected with their appropriate dispersal. Physico-chemical parameters of Mn, Ni, Cd, Cu, Zn, As Fe, Cr, and ions K+, Na+,Ca2+, Mg2+, Cl-, So42-, Hco3- as well as indicators TH, TDS, EC, PH were deter...