Group Interaction. II. A Test of the Group Model on Binary Solutions of Hydrocarbons

Papadopoulos, M.; Derr, E. L.

doi:10.1021/ja01519a002

Cited by 22 publications

(7 citation statements)

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“…AH/ = »*,* ( / ~H/*) (9) k It is further assumed that the group contributions to the residual partial molal energy of mixing are a function only of group concentration, Z, in the solution. These last two assumptions agree with those of Wilson and Deal (76).…”

Section: Theorymentioning

confidence: 99%

“…the entire procedure is repeated for the final relaxation. The effect will be to change the coefficients in Equation 9 slightly by the introduction of the gas law correction terms. (3) Hala, E., Pick, J., Fried, V., Vilim, O., "Vapor-Liquid Equilibrium," Pergamon, New York, 1958.…”

mentioning

confidence: 99%

“…Redlich, Derr, and Pierotti (72) proposed a model for the heat of mixing based on the assumption that the interaction between molecules can be represented as the sum of contributions of pairs oí interacting groups. Papadopoulos and Derr (9) successfully tested Redlich's theory against experimental data for a number of binary hydrocarbon systems.…”

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confidence: 99%

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Group Contributions to Activity Coefficients. CH₂ and OH Groups

Scheller¹

1965

Ind. Eng. Chem. Fund.

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Section: Theorymentioning

confidence: 99%

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confidence: 99%

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Group Contributions to Activity Coefficients. CH₂ and OH Groups

Scheller¹

1965

Ind. Eng. Chem. Fund.

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“…But the activity coefficient can not be predicted effectively. The reported methods for predicting activity coefficient or excess function can only work in certain system [1][2][3][4][5][6][7][8][9][10] . The solution thermodynamic research direction should be establishing a series of state functions possessed by components.…”

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confidence: 99%

What’s the thermodynamic research direction for real solution

Zhi

2022

Preprint

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At present, the thermodynamic research is focused on the system. The partial molar quantity of components is the property of the system. And the partial molar quantity of components did not equal to the corresponding intensive property possessed by components. In most cases in the real solution, the partial molar Gibbs energy of one component wan not the chemical potential of the component. On some special occasion, such as in idea solution, the partial molar Gibbs energy of one component equals to the chemical potential of the component. To obtain the chemical potential of components, the activity coefficient was introduced into the present solution thermodynamic theory. The relation of the activity coefficient between the size and the structure of molecules of every component are difficult to discover. The ultimate goal of the thermodynamic is predicting the chemical potential. But the activity coefficient can not be predicted effectively. The reported methods for predicting activity coefficient or excess function can only work in certain system . The solution thermodynamic research direction should be establishing a series of state functions possessed by components. The physic significance of those state functions is clear, and activity coefficient was not included in those state functions.

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“…therefore many attempts are in progress for the correlation or prediction of such thermodynamic data on the basis of theoretical (Rowlinson, 1969) or semiempirical models (Asselineau and Renon, 1970; Papadopoulos and Derr, 1959;Redlich, et al, 1959).…”

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Enthalpies of Mixing of Halogenated Methanes and Their Interpretation. I. Dihalogenated Methanes

Ragaini¹,

Giannini²,

Carrà³

1973

Ind. Eng. Chem. Fund.

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indicates the energetic effects in solutions of simple molecules can be described by the partition function with the aid of one mixture parameter, the value of which is consistent with that for the pure component interaction (Winnick, 1972).The description of polar-nonpolar liquid mixture enthalpy is not quite so successful as that for polar-polar mixtures. However, for those systems with weakly repulsive unlike interaction energies (negative win , Table I), the excess Gibbs energy prediction agrees with experiment. These mixtures are much less ordered than those with strong mutual attraction. Thus, the semi-random theory used here accurately represented the excess entropy.The failure of both the polar-polar and polar-nonpolar treatments for the chloroform-alcohol systems is due in part to the induction effect of each species on the other. To include the 1-2 and the 2-1 induction effects as well as the permanent dipole interaction would require two additional terms, similar to 20, in eq 16. It is felt the extra empiricism involved is not

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Group Interaction. II. A Test of the Group Model on Binary Solutions of Hydrocarbons

Cited by 22 publications

References 3 publications

Group Contributions to Activity Coefficients. CH₂ and OH Groups

Group Contributions to Activity Coefficients. CH₂ and OH Groups

What’s the thermodynamic research direction for real solution

Enthalpies of Mixing of Halogenated Methanes and Their Interpretation. I. Dihalogenated Methanes

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Group Interaction. II. A Test of the Group Model on Binary Solutions of Hydrocarbons

Cited by 22 publications

References 3 publications

Group Contributions to Activity Coefficients. CH2 and OH Groups

Group Contributions to Activity Coefficients. CH2 and OH Groups

What’s the thermodynamic research direction for real solution

Enthalpies of Mixing of Halogenated Methanes and Their Interpretation. I. Dihalogenated Methanes

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Group Contributions to Activity Coefficients. CH₂ and OH Groups

Group Contributions to Activity Coefficients. CH₂ and OH Groups