Results 21 to 30 of about 1,230,916 (170)

Thermodynamic pressures for hard spheres and closed-virial equation-of-state

, 2010
Hard-sphere molecular dynamics (MD) simulation results, with six-figure accuracy in the thermodynamic equilibrium pressure, are reported and used to test a closed-virial equation-of-state.
Lue, Leo, Woodcock, Leslie V., Banneman, Marcus N.   +2 more
core   +4 more sources

Morse oscillator equation of state: An integral equation theory based with virial expansion and compressibility terms

Heliyon, 2022
A number of interaction energy types are employed in the vibrations studies, especially in the spectroscopic analysis, such as the harmonic oscillator and Morse oscillator.
Marwan Al-Raeei
doaj   +1 more source

Variational Methods for Atoms and the Virial Theorem

Atoms, 2022
In the case of the one-electron Dirac equation with a point nucleus, the virial theorem (VT) states that the ratio of the kinetic energy to potential energy is exactly −1, a ratio that can be an independent test of the accuracy of a computed solution ...
Charlotte Froese Fischer, Michel Godefroid   +1 more
doaj   +1 more source

Multicomponent solutions: Combining rules for multisolute osmotic virial coefficients [PDF]

, 2023
This paper presents an exploration of a specific type of a generalized multicomponent solution model, which appears to be first given by Saulov in the current explicit form.
Binyaminov, Hikmat, Elliott, Janet A. W.
core   +1 more source

Aqueous biphasic systems containing sodium L-tartrate dihydrate and PEG, experimental and application of extended thermodynamic models

Chemical Thermodynamics and Thermal Analysis, 2023
In the current study, liquid-liquid equilibrium data of aqueous two-phase systems (ATPS) containing polyethylene glycol at the different molecular weights (1000, 2000, 6000, and 8000) - sodium L-tartrate dihydrate - water at 298.15 K were obtained ...
Hamid Bakhshi, Poorya Mobalegholeslam, Seyed Ali Mosavi   +2 more
doaj   +1 more source

Application of the Osmotic Virial Equation in Cryobiology

, 2010
The multisolute osmotic virial equation is the only multisolute thermodynamic solution theory that has been derived from first principles and can make predictions of multisolute solution behaviour in the absence of multisolute solution data.
Prickett, R. C., McGann, L. E., Elliott, J. A.   +2 more
core   +1 more source

Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid

Condensed Matter Physics, 2015
We argue that recently proposed [Melnyk et al., Fluid Phase Equilibr., 2009, 279, 1] a criterion to split the pair interaction potential into two parts, one of which is forced to be responsible for excluded volume in the system, results in the ...
A. Trokhymchuk, R. Melnyk , I. Nezbeda
doaj   +1 more source

Atomistic Insights into Gradient Architecture Driven Strengthening in Additively Manufactured Cu–Ni Stepwise Graded Structures

Advanced Materials Interfaces, EarlyView.
Atomistic simulations reveal the interlayer mechanics of additively manufactured materials, showing how build direction and layer interfaces govern diffusion, defect evolution, and mechanical strength. Distinct anisotropic behavior arises from interface‐controlled deformation and dislocation activity, establishing critical links between microstructural
Rohit Singh, Jinoop Arackal Narayanan
wiley   +1 more source

The Fractional Virial Potential Energy in Two-Component Systems [PDF]

Serbian Astronomical Journal, 2008
Two-component systems are conceived as macrogases, and the related equation of state is expressed using the virial theorem for subsystems, under the restriction of homeoidally striated density profiles.
Caimmi, R., Valentinuzzi, T.
doaj   +3 more sources

The generalized virial equation of state [PDF]

, 1968
A generalized three parameter virial equation of state has been developed and tested for seven pure gases having different molecular characteristics.
Patel, Ghanshyam R.
core   +1 more source