Jacob, A.A.JacobGray-Weale, A.A.Gray-WealeMasset, P.J.P.J.Masset2022-03-042022-03-042014https://publica.fraunhofer.de/handle/publica/23889710.1002/9781118448847.ch3dThe thermophysical properties of molten slags were calculated using a molecular dynamics simulation based on the rigid-ion model. For SiO2 and SiO2-CaO mixtures, the local structure in the liquid state was determined and a rather good agreement was observed with available experimental data. Values of the density of single and binary systems were calculated within 10% of error compared to experimental data.enbook article