This paper describes an experimental procedure recently developed to simulate and study the behaviour of various chemicals in seawater during their transfer in a 5 m deep water column. Since chemical pollution can be harmful to the environment, anticipating the evolution of a chemical spill is important for authorities, so that they can act rapidly and efficiently after a spill. In the case of ...

Configurational entropy is an important parameter in amorphous systems. It is involved in the thermodynamic considerations, plays an important role in the molecular mobility calculations through its appearance in the Adam-Gibbs equation and provides information on the solubility increase of an amorphous form compared to its crystalline counterpart. This paper presents a calorimetric method whic...

Green bamboo was hydrolyzed over a range of durations at different temperatures. A simple pseudo-homogeneous irreversible first order kinetic model was developed to describe pentosan solubility during steam treatment of green bamboo. To avoid the influence of soluble pentosan during heating process, kinetic parameters were effectively dissolved based on the data in the reacting process. Moreove...

A model developed to predict aqueous solubility at different temperatures has been proposed based on quantitative structure-property relationships (QSPR) methodology. The prediction consists of two steps. The first one predicts the value of k parameter in the linear equation lgSw=kT+c, where Sw is the value of solubility and T is the value of temperature. The second step uses Random Forest tech...

Niobium is one of the major alloying elements, among the refractory elements, contributing to the strengthening of superalloys. Consequently, data about its behavior and its migration mechanism in fcc-Ni are essential knowledge to understand and control the strengthening in such alloys. We present in this work Nb interactions, solubility and diffusion in Ni performed by using the GGA approximat...

We report theoretical and simulation studies of phase coexistence in model globular protein solutions, based on short-range, central, pair potential representations of the interaction among macro-particles. After reviewing our previous investigations of hard-core Yukawa and generalised Lennard-Jones potentials, we report more recent results obtained within a DLVO-like description of lysozyme so...

Solubility of 2,6-diphenyl-4-(2,4,6-triphenylpyridinium-l-yl) phenolate, commonly known as Reichardt' s betaine dye and a ketocyanine dye has been determined in binary solvent mixtures and in cationic and anionic micellar media. In all the binary mixtures the standard molar free energy of solution, as given by log Sl2 where 512 is the solubility in the binary mixture, cannot be represented by t...

The three quasi-binary phase systems BiOX–BiOY (X, Y = Cl, Br, I) have been investigated by X-ray powder methods. No quaternary phases were found in the three systems. BiOCl–BiOBr and BiOBr–BiOI form systems of unlimited mutual solubility. BiOCl–BiOI is a system of limited solubility at the iodine-rich side. In the BiOBr–BiOI system a strong deviation from Vegard’s rule is observed with respect...

The Hansen solubility parameter approach is revisited by implementing the thermodynamics of dissolution and mixing. Hansen's pragmatic approach has earned its spurs in predicting solvents for polymer solutions, but for molecular solutes improvements are needed. By going into the details of entropy and enthalpy, several corrections are suggested that make the methodology thermodynamically sound ...