P. Vashishta

Hydrogen Bonding in Supercritical Water Using Quantum Molecular Dynamics

In supercritical water (SCW), defined as water above its critical point (Tc = 647K, Pc = 221 bar), the nature of hydrogen bonds remains a topic of great interest. While neutron scattering studies suggest a significant reduction in hydrogen bonding in SCW, quantum molecular dynamics (QMD) simulations indicate that hyd...