<p> The effect of chromium on the activity coefficient of sulphur in the ternary system Fe-S-Cr has been investigated over an extended range of temperature and chromium concentrations. A levitation-melting technique was used and H2-H2S gas mixtures were passed over levitated droplets of iron and iron-chromium alloys. By comparing the experimental results obtained for both binary and ternary systems the effect of chromium on the activity coefficient of sulphur was derived in terms of first order free energy, enthalpy and entropy coefficients. Thermal diffusion effects were cancelled out by carrying out binary and ternary runs under the same experimental conditions.</p> / Thesis / Master of Science (MSc)

Thèse (M.Eng.) -- Université du Québec à Chicoutimi, 2006. / La p. de t. porte en outre: Mémoire présenté à l'Université du Québec à Chicoutimi comme exigence partielle de la maîtrise en génie. CaQCU Bibliogr.: f. [142-145]. Document électronique également accessible en format PDF. CaQCU

The Sutton Chen and quantum Sutton Chen potentials are used in molecular dynamics simulations to describe the structural, thermodynamical, and transport properties of Pd, Ni and their binary alloys in solid, liquid, and glass phases. Static properties including elastic constants, pair distribution function, static structure factor, and dynamical properties consisting of phonon dispersion relation, diffusion coefficient, and viscosity are computed at various temperatures. The melting temperatures for Pd-Ni system are obtained. The transferability of the potentials is tested by simulating the solid and liquid states. The eutectic concentration Pd0.45Ni0.55 is quenched at four different cooling rates. The system goes into glass formation at fast cooling rates, while it evolves to crystal at slow cooling rate. Comparison of calculated structural and dynamical properties with the available experiments and other calculations shows satisfactory consistency.