Mixing of equations of state for xenon-deuterium using density functional theory
نویسندگان
چکیده
Related Articles Local thermodynamics of a magnetized, anisotropic plasma Phys. Plasmas 20, 022506 (2013) Transport properties of multicomponent thermal plasmas: Grad method versus Chapman-Enskog method Phys. Plasmas 20, 023504 (2013) Equation of state of dense plasmas by ab initio simulations: Bridging the gap between quantum molecular dynamics and orbital-free molecular dynamics at high temperature Phys. Plasmas 19, 122712 (2012) Reactive and internal contributions to the thermal conductivity of local thermodynamic equilibrium nitrogen plasma: The effect of electronically excited states Phys. Plasmas 19, 122309 (2012) Heat capacity in weakly correlated liquids Phys. Plasmas 19, 123702 (2012)
منابع مشابه
Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach
The density and polarization profiles of the dipolar hard ellipsoids confined between hard walls are studied using the density functional theory (DFT). The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. The number density is expanded up to zero and first order in polarization to find the results. For the zero order in...
متن کاملSurface Tension Prediction of n-Alkanes by a Modified Peng-Robinson Equation of State Using the Density Functional Theory
Through this study, the ability of a modified Peng-Robinson (MPR) equation of state in predicting the surface tension of n-alkanes based on the density functional theory approach was investigated and compared with other studies. The interfacial layer thickness and the density profile were calculated simultaneously at different temperatures from triple point to near critical point using the modi...
متن کاملLiquid Density Modeling of Pure Refrigerants Using Four Lattice-Hole Theory Based Equations of State
The present study investigates the performance and relative accuracy of four lattice-hole theory based equations of state in modeling and correlating the liquid density of pure refrigerants. Following the gathering of a database of 5740 experimental liquid density datapoints of 36 pure refrigerants belonging to five different categories including CFCs, HCFCs, PFCs, HFCs and HFEs, ranging from 6...
متن کاملCorrelation of Viscosity of Aqueous Solutions of Alkanolamine Mixtures Based on the Eyring's Theory and Wong-Sandler Mixing Rule
A viscosity model, based on Eyring’s absolute rate theory combined with a cubic PR equation of state and Wong-Sandler mixing rule, has been proposed in order to correlate viscosities of aqueous solutions of alkanolamine mixtures at atmospheric pressure and different temperatures. In the proposed method, the energy and size parameters in studied Equation of State (EoS) have been obtained usi...
متن کاملRationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
The relative stability of hydrogen-bonded of Molybdate-Phosphonic Acid (MPA) complex (1:2) ingas phase has been carried out using Density Functional Theory (DFT) methods. The methods are usedfor calculations are B3LYP, BP86 and B3PW91 that have been studied in two series of basis sets: D95**and 6-31+G(d,p) for hydrogen and oxygen atoms; LANL2DZ for Mo and Phosphorus. Predictedhydrogen-bond geom...
متن کامل