نتایج جستجو برای: solid liquid equilibrium
تعداد نتایج: 504740 فیلتر نتایج به سال:
The thermodynamic treatment of the glass transition remains an issue of intense debate. When associated with the formalism of non-equilibrium thermodynamics, the lattice-hole theory of liquids can provide new insight in this direction, as has been shown by Schmelzer and Gutzow [J. Chem. Phys. 125, 184511 (2006)], by Möller et al. [J. Chem. Phys. 125, 094505 (2006)], and more recently by Tropin ...
Amorphous media at finite temperatures, be them liquids, colloids, or glasses, are made of interacting particles that move chaotically due to thermal energy, continuously colliding and scattering off each other. When the average configuration in these systems relaxes only at long times, one can introduce effective interactions that keep the mean positions in mechanical equilibrium. We introduce...
The motion of atoms on interatomic potential energy surfaces is fundamental to the dynamics of liquids and solids. An accelerator-based source of femtosecond x-ray pulses allowed us to follow directly atomic displacements on an optically modified energy landscape, leading eventually to the transition from crystalline solid to disordered liquid. We show that, to first order in time, the dynamics...
In this article, a simple and no cost method, which is based on Archimedes’ principle and moment of force and which does not require measurement of mass and volume of the liquid, is described for the determination of the density of liquids. The experimental set up for this purpose is very simple. A meter scale is hung by a string from a rigid support at center point. A solid substance of unknow...
We calculate third- and fifth-order Raman spectra of simple atoms interacting through a soft-core potential by means of molecular-dynamics (MD) simulations. The total polarizability of molecules is treated by the dipole-induced dipole model. Two- and three-body correlation functions of the polarizability at various temperatures are evaluated from equilibrium MD simulations based on a stability ...
The classical fluid dynamics boundary condition of no slip suggests that variation in the wettability of a solid should not affect the flow of an adjacent liquid. However, experiments and molecular dynamics simulations indicate that this is not the case. In this paper we show how flow over a solid substrate with variations of wettability can be described in a continuum framework using the inter...
In the previous multi-solid models,φ approach is used for the calculation of fugacity in the liquid phase. For the first time, in the proposed multi-solid thermodynamic model,γ approach has been used for calculation of fugacity in the liquid mixture. Therefore, some activity coefficient models have been studied that the results show that the predictive Wilson model is more appropriate than othe...
A density-of-states Monte Carlo method is proposed for simulations of solid-liquid phase equilibria. A modified Wang-Landau density-of-states sampling approach is used to perform a random walk in regions of potential energy and volume relevant to solid-liquid equilibrium. The method provides a direct estimate of the relative density of states [Omega(U,V)] and thus the relative free energy withi...
We propose a theory to describe time-dependent solvation structure near solid-liquid interface. Recently, we have developed two-dimensional-reference interaction site model to describe solvation structure near solid-liquid interface at the equilibrium state. In the present study, the theory is extended to treat dynamical aspect of the solvation; site-site Smoluchowski-Vlasov equation and surrog...
A major computational code called CERV was developed to determine complex equilibrium compositions of a nonideal mixture of numerous imperfect gases and compressible liquid and solid species with phase transitions for closed-vessel applications. This code minimizes Gibbs energy using reaction variables, in contrast to other major codes like BRL-Blake, BRCBagheera and NASA-CEA that use compositi...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید