Group Contributions to Activity Coefficients. CH<sub>2</sub> and OH Groups

Scheller, William A.

doi:10.1021/i160016a018

Cited by 11 publications

(6 citation statements)

References 3 publications

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“…The value of ß was found by evaluating eq 15 for methanol (m = = 1, C = 0.3318) at 50°C using the value of HaG/RT at Za = 0.5 in the table published by Scheller (1965). The calculated value of ß was very close to 2.0 and it was decided to use the value ß = 2.…”

Section: Discussion Of Resultsmentioning

confidence: 99%

“…Five equations discussed by Scheller (1965) are used in the determination of group contributions from activity coefficient data or activity coefficients from group contributions. (2) (5) k From these equations we shall now draw some conclusions concerning AH/°and HkG.…”

Section: Theorymentioning

confidence: 99%

“…A method for estimating liquid phase activity coefficients from group contributions has been discussed and illustrated by Wilson and Deal (1962) and Scheller (1965). Derr (1968, 1969) have continued to publish information on the correlation of activity coefficients in terms of parameters associated with pairs of structural groups.…”

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confidence: 99%

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The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

Scheller¹,

Petricek²,

Young³

1972

Ind. Eng. Chem. Fund.

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A rapid and accurate method for determining group contributions to liquid phase activity coefficients for a binary system of groups from measurements of net retention volumes by gas-liquid chromatography has been developed. Group contributions determined by this method for four different pairs of groups at a number of different temperatures were used to calculate 110 equilibrium compositions for 11 different binary systems of nonelectrolytes. These were compared with experimental equilibrium data and indicated an overall absolute average deviation of 5.9%. Of the 1 10 deviations, 19 were greater than 10% and of these, three were greater than 30%. It also appears from these studies that the partial residual energy of mixing at infinite dilution is a constant for a given solute in a homologous series of solvents.

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Section: Discussion Of Resultsmentioning

confidence: 99%

Section: Theorymentioning

confidence: 99%

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The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

Scheller¹,

Petricek²,

Young³

1972

Ind. Eng. Chem. Fund.

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“…Various correlations relating activity coefficients at infinite dilution to molecular structure have been given: Butler et al (1935); Br^nsted and Koefoed (1946); Pierotti et al (1959); Deal et al (1962); Wilson and Deal (1962); Scheller (1965); Weimer and Prausnitz (1965); Helpinstill and Van Winkle (1968); Derr and Deal (1969); and Balakrishnan et al (1969). Of these, the most widely used are the Pierotti-Deal-Derr correlations.…”

Section: Correlation Of M>12 With Molecular Structurementioning

confidence: 99%

One-Parameter Equation for Excess Gibbs Energy of Strongly Nonideal Liquid Mixtures

Bruin¹,

Prausnitz²

1971

Ind. Eng. Chem. Proc. Des. Dev.

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“…Recently, Scheller (24) has used a "solution of groups" approach to produce a correlation of a broad range of mixtures. By the use of mixture data containing water he has, in Wilson nomenclature, defined Foh and Tch2 curves over the entire range of CH2-OH mixtures.…”

Section: Solution Of Groupsmentioning

confidence: 99%

Group Contributions in Mixtures

Deal¹,

Derr²

1968

Ind. Eng. Chem.

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Oneof the areas in which thermodynamics finds an important application is in the development and design of processes for the recovery and purification of the relatively simple organic compounds. Since many such processes exploit small differences in the distribution of a number of compounds between equilibrium phases, the needs in this area are generally for quite accurate descriptions of the distributions of components between phases over some range of temperature and pressure. Indeed, the needs for accuracy are frequently great enough and the systems are complex enough that strictly theoretical means of predicting equilibria have been of limited use. As a consequence, the practice of depending primarily upon direct experimental measurement of equilibria is widespread. Since such measurements are frequently difficult, tedious, and costly, the number of measurements must be held to a minimum.

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Group Contributions to Activity Coefficients. CH₂ and OH Groups

Cited by 11 publications

References 3 publications

The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

One-Parameter Equation for Excess Gibbs Energy of Strongly Nonideal Liquid Mixtures

Group Contributions in Mixtures

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Group Contributions to Activity Coefficients. CH2 and OH Groups

Cited by 11 publications

References 3 publications

The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

The Determination of Group Contributions to Activity Coefficients by Gas-Liquid Chromatography through Homologous Trends

One-Parameter Equation for Excess Gibbs Energy of Strongly Nonideal Liquid Mixtures

Group Contributions in Mixtures

Contact Info

Product

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Group Contributions to Activity Coefficients. CH₂ and OH Groups