AtomisticMonteCarloSimulationsinSteelmaking-InTech.PDFVIP

25 Atomistic Monte Carlo Simulations in Steelmaking: High Temperature Carburization and Decarburization of Molten Steel R. Khanna, R. Mahjoub and V. Sahajwalla Centre for Sustainable Materials Research and Technology, School of Materials Science and Engineering, University of New South Wales, Sydney, NSW2052, Australia 1. Introduction Carbon is one of the most important alloying elements in steel; a number of different properties have been attributed to strong interactions between interstitial carbon atoms and defects such as vacancies, dislocations and grain boundaries. The dissolution of carbonaceous materials such as graphite, coal, coke, chars etc. into molten iron is a key step in a range of ironmaking processes (Keogh et al., 1991; Cusack et al., 1991). While there have been some studies on the dissolution behavior of cokes and coal (Orsten Oeters, 1988; Wright Taylor, 1993; Mourao et al., 1993; Sahajwalla et al., 1994), most of the investigations have focused their attention on the dissolution behavior of graphite (Coller et al., 1994; Kosaka Minowa, 1968; Ericsson Melberg, 1981; Grigoryan Karshin, 1972; Olivares, 1997). These studies both experimental and theoretical have provided a great deal of information about the reaction kinetics and various factors affecting the graphite dissolution rate, and have generally conclud