13 citations · 18 across the 5 of their papers we have counts for
5 papers
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts
Shun-Li Shang, Nigel L. E. Hew, Rushi Gong +6
We have recently developed a breakthrough methodology for rapidly computing entropy in both solids and liquids by integrating a multiscale entropy approach (known as zentropy theor…
Thermodynamics and transport in molten chloride salts and their mixtures
Cillian Cockrell, Margaret-Ann Withington, Harvey L. Devereux +7
Molten salts are important in a number of energy applications, but the fundamental mechanisms operating in ionic liquids are poorly understood, particularly at higher temperatures.…
Thermal conductivity and thermal diffusivity of molten salts: insights from molecular dynamics simulations and fundamental bounds
C. Cockrell, M. Withington, H. L. Devereux +7
We use extensive molecular dynamics simulations to calculate thermal conductivity and thermal diffusivity in two common molten salts, LiF and KCl. Our analysis includes the total t…
Thermodynamic modeling of the LiCl-KCl-LaCl system with Bayesian model selection and uncertainty quantification
Rushi Gong, Shun-Li Shang, Vitaliy G. Goncharov +5
Chloride molten salts are increasingly used in pyroprocessing techniques for the separation of lanthanides. Understanding thermodynamic properties of these salts is essential to pr…
Viscosity bounds in liquids with different structure and bonding types
M. Withington, H. L. Devereux, C. Cockrell +7
Recently, it was realised that liquid viscosity has a lower bound which is nearly constant for all liquids and is governed by fundamental physical constants. This was supported by…