Showing papers on "Gibbs–Duhem equation published in 2003"
TL;DR: In this article, the Gibbs surface phase method was extended to nanoparticles if the effective surface tension (the specific excess free energy) is interpreted as a function of the particle radius.
Abstract: The problem of applicability of thermodynamics to small objects has been investigated. It is shown that the Gibbs surface phase method may be extended to nanoparticles if the effective surface tension (the specific excess free energy) is interpreted as a function of the particle radius.
35 citations
TL;DR: In this article, a semi-empirical equation of Gibbs free energy of mixing ΔG for the system polystyrene in methylcyclohexane has been determined based on the Flory−Huggins equation by using a series of coexistence curve data.
Abstract: A semiempirical equation of Gibbs free energy of mixing ΔG for the system polystyrene in methylcyclohexane has been determined based on the Flory−Huggins equation by using a series of coexistence curve data. The functional form of the interaction parameter g with respect to chain length of the polymer was determined so as to express the critical universality. The resultant equation of ΔG was used to prepare microcapsules of controlled size distribution by means of coacervation in the spinodal region.
8 citations
01 Mar 2003
TL;DR: Formulation is given for the Gibbs-Duhem integration (GDI) method in the semigrand canonical (SGC) ensemble, in which the total number of particles N is fixed with the specified chemical potential differences between species.
Abstract: Formulation is given for the Gibbs-Duhem integration (GDI) method in the semigrand canonical (SGC) ensemble, in which the total number of particles N is fixed with the specified chemical potential differences between species Δμ i (≡μ i -Δμ 1 ;i =2,3,...). Demonstration of the SGC Monte Carlo simulation with the GDI technique is given for a pseudo-binary semiconductor alloy, In x Ga 1-x N.
4 citations
TL;DR: Maxwell equations make it possible to calculate the average number of hydrogen ions bound, Delta(f)S"(o), Delta( f)H"(o) and their partial derivatives, and these relations are illustrated with numerical calculations on a simple reaction system.
2 citations
TL;DR: The Gibbs-Duhem integration scheme is combined with the osmotic Gibbs-ensemble simulation method presented in previous work as mentioned in this paper to calculate the phase coexistence of a polymer-solvent mixture.
Abstract: The Gibbs-Duhem integration scheme is combined with the osmotic Gibbs-ensemble simulation method presented in previous work [Brennan, J.K. and Madden, W.G. "Phase coexistence curves for off-lattice polymer-solvent mixtures: Gibbs-ensemble simulations." Macromolecules , 2002, 35, 2827.] to calculate the phase coexistence of a polymer-solvent mixture. Gibbs-Duhem integration simulations are carried out at temperatures for which the osmotic Gibbs-ensemble method is not valid because the solvent-rich phase contains a significant amount of polymer. This combined strategy allows for the calculation of the full coexistence curve for polymer-solvent systems in the continuum. An alternative formulation of the Gibbs-Duhem integration algorithm is also presented. A major strength of the technique is that neither chain insertions nor deletions are required. The method allows for the calculation of the phase behavior of polymer-solvent mixtures containing long chains or branched and networked chains not previously pos...
1 citations
TL;DR: The activity and activity coefficients of the components of the NaNO2-KNO3 system, determined from the experimental data on the saturated vapor pressure at 798, 823, and 848 K, are used to calculate the relative and excess partial molar Gibbs energies as discussed by the authors.
Abstract: The activity and activity coefficients of the components of the NaNO2-KNO3 system, determined from the experimental data on the saturated vapor pressure at 798, 823, and 848 K, are used to calculate the relative and excess partial molar Gibbs energies (ΔG
i
and ΔG
i
e
x
c), entropies (ΔS
i
and ΔS
i
e
x
c), and integral relative and excess thermodynamic functions (ΔG, ΔG
e
x
c, ΔS, and ΔS
e
x
c) of the system.