Effect of Na Ions on Melt Structure and Viscosity of CaO–SiO<sub>2</sub>–Na<sub>2</sub>O by Molecular Dynamics Simulations

Molecular dynamics (MD) simulations have been used to study the effect of Na ions on structure properties CaO–SiO2–Na2O melts. The short-range and medium-range in this are consistent with existing data. replacement Ca2+ Na+ melts has almost no degree polymerization distribution bond angles Si–O tetrahedron. From micro perspective, enhance mobility by multiple ways. Firstly, modification melt network is weaker than that Ca2+, tetrahedron around sparser which more conducive movement. Secondly, diffusion capacity much greater other system, overall system can be improved adding Na+. Thirdly, since only one charge, there electrostatic restraint depolymerized happened multivalent charges such as so stronger CaO–SiO2. changes provide an explanation for improvement macro liquidity.