Journal ArticleDOI
Free Energy of a Nonuniform System. I. Interfacial Free Energy
John W. Cahn,John E. Hilliard +1 more
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In this article, it was shown that the thickness of the interface increases with increasing temperature and becomes infinite at the critical temperature Tc, and that at a temperature T just below Tc the interfacial free energy σ is proportional to (T c −T) 3 2.Abstract:
It is shown that the free energy of a volume V of an isotropic system of nonuniform composition or density is given by : NV∫V [f 0(c)+κ(▿c)2]dV, where NV is the number of molecules per unit volume, ▿c the composition or density gradient, f 0 the free energy per molecule of a homogeneous system, and κ a parameter which, in general, may be dependent on c and temperature, but for a regular solution is a constant which can be evaluated. This expression is used to determine the properties of a flat interface between two coexisting phases. In particular, we find that the thickness of the interface increases with increasing temperature and becomes infinite at the critical temperature Tc , and that at a temperature T just below Tc the interfacial free energy σ is proportional to (T c −T) 3 2 . The predicted interfacial free energy and its temperature dependence are found to be in agreement with existing experimental data. The possibility of using optical measurements of the interface thickness to provide an additional check of our treatment is briefly discussed.read more
Citations
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Journal ArticleDOI
Surface Tension and Melt Cohesive Energy Density of Polymer Melts Including High Melting and High Glass Transition Polymers
Bryan B. Sauer,Gregory T. Dee +1 more
TL;DR: In this article, a model is developed that uses surface tension to convert pressure-volume-temperature (PVT) data (from which the thermodynamic quantity "internal pressure" is calculated) into another thermodynamic bulk property (CED).
Journal ArticleDOI
Advanced operator splitting-based semi-implicit spectral method to solve the binary phase-field crystal equations with variable coefficients
TL;DR: An efficient method to solve numerically the equations of dissipative dynamics of the binary phase-field crystal model proposed by Elder et al. is presented, which can efficiently be parallelized for distributed memory systems, where an excellent scalability with the number of CPUs is observed.
Journal ArticleDOI
Stabilized linear semi-implicit schemes for the nonlocal Cahn–Hilliard equation
TL;DR: Two energy-stable linear semi-implicit methods with first and second order temporal accuracies respectively for solving the nonlocal Cahn–Hilliard equation are proposed and the energy stabilities are rigorously established.
Journal ArticleDOI
A thermodynamically consistent phase-field model for two-phase flows with thermocapillary effects
Zhenlin Guo,Ping Lin +1 more
TL;DR: In this article, a phase-field model for binary incompressible (quasi-incompressible) fluid with thermocapillary effects was developed, which allows for the different properties (densities, viscosities and heat conductivities) of each component while maintaining thermodynamic consistency.
Journal ArticleDOI
Molecular simulation studies of reversed-phase liquid chromatography.
Rebecca Lindsey,Jake L. Rafferty,Jake L. Rafferty,Becky L. Eggimann,Becky L. Eggimann,J. Ilja Siepmann,Mark R. Schure +6 more
TL;DR: A number of aspects concerning molecular simulation studies of RPLC systems including the historical development of the subject, the background needed to understand the two prevalent techniques, molecular dynamics (MD) and Monte Carlo (MC) methods, and the wealth of insight provided by these simulations are discussed.
References
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Journal ArticleDOI
The Principle of Corresponding States
TL;DR: The principle of corresponding states in modern form has been applied to the following properties: the critical state, the virial coefficient, the Boyle point, the densities of coexistent phases, the vapor pressure of the liquid, the entropies of evaporation and of fusion, the coefficient of thermal expansion of liquid and the triple point temperature and pressure, the heat capacity of liquid, and the surface tension of liquid as mentioned in this paper.
Book ChapterDOI
Zur Theorie des Austauschproblems und der Remanenzerscheinung der Ferromagnetika
TL;DR: The Slatersche Methode as mentioned in this paper is an analog zur Jordan-Kleinschen Theorie in eine nichtlineare Wellengleichung im dreidimensionalen Raum, wobei das Absolutquadrat der Wellenfunktion anschaulich als Spindichte gedeutet werden kann.
Journal ArticleDOI
Die Keimbildung bei der Ausscheidung in metallischen Mischkristallen
TL;DR: In this article, ausscheidung in einem ubersattigten binaren Mischkristall is considered, das die Energie eines Misch-kristalls durch einfache Addition of Nachbarbindungen berechnet werden darf.
Journal ArticleDOI
Domain Structure of Rochelle Salt and K H 2 P O 4
Toshito Mitsui,Jiro Furuichi +1 more
TL;DR: In this paper, it has been shown that rochelle salt in the ferroelectric state consists of many domains and that the domain structure in an annealed crystal is caused by the electrostatic self energy.