Abstract: Thermodynamic computational packages MTDATA and FactSage have been used to carry out calculations on the variation with temperature of the phases precipitated on cooling in both oxidising and reducing conditions of a typical ladle slag composition, in the temperature range 1700 - 900°C. The current coverage of the databases associated with the computational packages is discussed i...

We study the out-of-equilibrium dynamics following a temperature jump in a model for silica, a strong liquid, and compare it with the well known case of fragile liquids. We calculate the fluctuation-dissipation relation, from which it is possible to estimate an effective temperature T(eff) associated with the slow out-of-equilibrium structural degrees of freedom. We find the striking and unexpl...

in the present study, hydrilla verticillata biomass was investigated as a novel biosorbent for the uptake of basic dye malachite green from its aqueous solution. kinetic and equilibrium studies were carried out in batch process. batch adsorption experiments were conducted to study the effect of ph, temperature, sorbent dosage, initial dye concentration, and contact time for the removal malachit...

Results of electro-thermo-elastic analysis of a functionally graded thick-walled spherical shell made of temperature dependent materials are presented in this article. All material properties are assumed temperature-dependent and also are graded along the thickness direction based on power function. Temperature dependency is accounted for all material properties including, thermal, mechanical a...

This paper studies the corrosion inhibition of Al-Mg alloy system in 0.5 mol/dm3 NaCl solution in the presence of pyrazole derivative using potentiodynamic polarization and linear polarization method. The inhibition efficiency as a function of concentration and temperature was investigated. From the polarization curves, it can be concluded that the pyrazole derivative be...

where s,z(u) is the local-equilibrium entropy, T the local-equilibrium absolute temperature, q the heat flux, A, Some of the most basic questions in nonequilibrium thermodynamics are those concerning the fundamental thermodynamic concepts, namely, the definition and meaning of entropy and of absolute temperature out of equilibrium. Most of the nonequilibrium thermodynamic theories have assumed ...

We study analytically the equilibrium and near-equilibrium properties of a model of a d-dimensional surface relaxing via linear surface diffusion and subject to a lattice potential. We employ the variational mean-field formalism introduced by Saito for the study of the sine-Gordon model. In equilibrium, our variational theory predicts a first-order roughening transition between a flat low-tempe...

A novel non-equilibrium multiscale dynamics (NEMSD) is proposed to simulate non-equilibrium thermal–mechanical processes. The model couples coarse-grain thermodynamics with a fine scale molecular dynamics. A Distributed Nośe-Hoover Thermostat Network is used, which regulates the temperature in each coarse scale Voronoi cell according to the finite element (FE) nodal temperature. The atoms in ea...

There is a mobile equilibrium between the native and denatured forms of trypsin which depends on the concentrations of acid, alkali, and alcohol and on the temperature. The heat of denaturation in 0.01 N hydrochloric acid calculated from the effect of temperature on the equilibrium constant is -67,600 calories per mole.

due to the fact that many application processes take place at different temperature, better examining and understanding of swelling properties as a function of temperature is essential for such application. the temperature effect on the swelling properties of commercial polyacrylic acid (paa) hydrogel beads was investigated as a function of time and temperature. gel bead size, swelling equilibr...