Acree equation

Nucleophilic substitution on methyl / -nitrobenzenesulfonate in CH2CI2 has been studied with a series of chloride salts with different structures and solvations BU4NCI, PPNCl [bis(triphenylphosphoranylidene)ammonium chloride], KCl complexed by 18-crown-6 or Kryptofix 2,2,2, and for comparison PPNBr. ° Rate constants and activation parameters are in accordance with an S 2 mechanism. The results were treated by the Acree equation. There are two reaction paths the first, involving the chloride ion, has the same rate for all the salts, whereas the second slower path, involving the ion pair, has a rate related to the dissociation constant of the salt. 

The rate of hydrobromination of PhC=CH in 90% AcOH at initial concentrations of 0.1 -1.0 M can be described by third-order (time) and first-order (concentrations) reaction equations with respect to the alkyne. The dependence of on the initial reactant concentration passes through a minimum, which is always present when the ionic strength fi of the solution is maintained at 1.1, and is due to the participation in the reaction of several types of species formed by HBr. From the dependence of on the degree of dissociation of HBr ion pairs by the Acree equation, the /cion was estimated at 1 x 10 1 moH s. Since HBr ion pairs do not react with phenylacetylene, the authors proposed that, at high concentrations, the reaction involves hydrogen bromide dimers. ... 

The Fittig reaction does not proceed so simply as the above equations indicate. The work of Acree 3 and Schlubach 4 has shown that in the first phase of the reaction sodium compounds of the hydrocarbons are formed. These then react with the second molecule of the organic bromide and sodium bromide is eliminated ... 

The dynamic range of OSME and GC-SNIFF data is generally less than a factor of ten, whereas dilution analysis frequently yields data that cover three or four powers of ten. It has been determined, however, that compressive transforms (log, root 0.5, and so on) of dilution analysis data are needed to produce statistics with normally distributed error (Acree and Barnard, 1994). Odor Spectrum Values (OSVs) were designed to transform dilution analysis data, odor units, or any potency data into normalized values that are comparable from study to study and are appropriate for normal statistics. The OSV is determined from the equation ... 

Acree and Rytting [54,55] developed the nearly ideal binary solvent (NIBS) approach to predict solubilities. NIBS did show an increased ability to predict solubilities versus the Scatchard-Hildebrand equation. However, it is limited to use in systems only involving nonspeciLc interactions. 

We note that Lee [196] recently challenged the forms of the LFERs used in the studies above, claiming that ILs can only be adequately described by an equation that includes additional information on molar internal volume. Subsequent work by Acree and Abraham [197] provides evidence that the LFERs used in the studies described above are adequate. While it is possible that this debate may lead to some modification of the preferred form of LEER... 

Acree, W. E. Zvaigzne, A. 1. Tucker, S. A. Thermochemical investigations of hydrogen-bonded solutions—development of a predictive equation for the solubflity of anthracene in binary hydrocarbon plus alcohol mixtures based upon mobile order theory. Fluid Phase Equilib. 1994, 92, 233-253. 

CNIBS/R-K is the combined nearly ideal binary solvent/Redlich-Kister equations (Acree et al., 1991). The value of MPD was taken from Table 2 of the Jouyban-Gharamaleki et al. (1999) paper. 

For the solubility of a solid (solute, component 2) in a (n - 1) multicomponent mixed solvent one can write the following equation (Acree, 1984 Prausnitz et al, 1986) ... 

The calculation of the activity coefficient of a solid in a saturated solution of a n-component mixture constitutes the main difficulty in predicting the solid solubility. Generally speaking, the activity coefficient of a solid in a saturated solution of a n-component mixture can be predicted using either group-contribution methods, such as UNIFAC and ASOG, or the experimental solubilities of the solid in subsystems of the multi-component mixed solvent combined with the Wilson, NRTL, etc. equation (Acree, 1984 Prausnitz et al., 1986). 

Thermodynamic consistency tests are well known, and have been frequently used for vapour-liquid equilibrium data in binary mixtures (for reviews one can see Gmehling and Onken, 1977 Acree, 1984 Prausnitz et al., 1986). These tests are based on theGibbs-Duhem equation and allow one to grade the experimental data for vapor-liquid equilibrium in binary mixtures. A more difficult problem is the consistency of data regarding vapor-liquid equilibrium in ternary or multicomponent mixtures. However, several thermodynamic consistency tests, also based on the Gibbs-Duhem equation, were suggested for vapor-liquid equilibrium in ternary or multicomponent mixtures (Li and Lu, 1959 McDermott and Ellis, 1965). 

Jouyban-Gharamaleki, A. Acree, W. E. Clark, B. J. Comment on Margules equations applied to PAH solubilities in alcohol-water mixtures . Environ. Sci. Technol. 1999, 33, 1953-1954. 

Some mathematical treatments are considered useful to predict a wide range of physicochemical properties in addition to solute solubility. This commonality may more likely result from mathematical treatment than be based on chemistry. For example, the Jouyban-Acree model, which was involved from the equation treating nearly idea binary solvents (NIBS), has been applied to predict the physicochemical properties such as density, viscosity, relative permittivity, surface tension, solvatochromic parameter, refractive index, etc., of mixed solvent systems. For solute solubility, the model takes the form ... 

Sprunger, L. Clark, M. Acree, W.E., Jr. Abraham, MH. (2007) Characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients. /. Chem. Inf. Model., 47,1123-1129. 

Sprunger, L.M. Proctor, A. Acree, W.E., Jr. Abraham, M.H. (2008) LFER correlations for room temperature ionic liquids Separation of equation coefficients into individual cation-spedfic and anion-specific contributions. Fluid Phase Equiltb., 265, 104-111. 

---