Effect of molecular size and shape on the excess enthalpy of liquid hydrocarbon mixtures

Wagner, H.; Lichtenthaler, R. N.

doi:10.1016/0040-6031(85)85246-1

Cited by 5 publications

(2 citation statements)

References 11 publications

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“…For a binary mixture this will also be true provided the solute and the solvent interaction potentials are similar. Alkane-alkane mixtures are the systems which can most probably fulfill this condition as confirmed by different approaches (37,59). Thus, we may write:…”

Section: One Obtainsmentioning

confidence: 99%

“…The success of the Prigogine-Flory-Patterson theory to predict the thermodynamic excess properties of liquid mixtures containing hydrocarbon molecules of different sizes and shapes is well known. However, some inconsistencies are observed for mixtures containing long-chain n-alkanes which can be explained by postulating the existence in these liquids of a short range order or a correlation of molecular order (37). This correlation of molecular order is broken in the vaporization process but remains in the reference cavity formation process.…”

Section: The Enthalpy Of Cavity Formation: the Basic Equationmentioning

confidence: 99%

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A further view on the calculation of the enthalpy of cavity formation in liquids. The influence of the cavity size and shape

Ramos¹,

Dionı́sio²,

Gonçalves³

et al. 1988

Can. J. Chem.

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. 66, 2894 (1988).A reformulation of the Sinanoglu-Reisse semi-empirical approach to describe the cavity formation process in liquids is proposed. The energy of cavity formation is regarded as a strictly potential energy corrected for short range order effects in the liquid state. Deviations from the Corresponding States Principle quantified by the Pitzer acentric factor are considered to describe these short range order effects.The influence of the cavity shape on the calculation of its energetics is emphasized as well as the need for a realistic description of the dependence of the microscopic surface tension on the size and shape of the cavities. The proposed method is successfully applied to binary mixtures of n-alkanes at infinite dilution. 66, 2894 (1988).On propose une nouvelle formulation de l'approche semi-empirique de Sinanoglu-Reisse pour dCcrire le processus de formation de cavitCs dans des liquides. L'Cnergie de formation de la cavitC est considtrte strictement comme une Cnergie potentielle corrigCe pour les effets d'ordre a courte distance dans I'Ctat liquide. Les dCviations par rapport au Principe des Etats Correspondants sont quantifiCes par le facteur acentrique de Pitzer et sont utilisCes sous cette forme pour dCcrire ces effets d'ordre a courte distance.On dCmontre l'importance de la forme de la cavitC sur le calcul de son Cnergie ainsi que la nCcessitC de possCder une description rkaliste de la relation entre la tension superficielle microscopique et la taille et la forme des cavitCs. La mCthode proposCe a Ct C appliquCe avec succes a I'Ctude de mklanges binaires de 11-alcanes a dilution infinie.[Traduit par la revue]The importance of the energetics of cavity formation to elucidate the solvent effect on chemical processes has been strongly emphasized ( 1-3). The thermodynamic parameters AX associated with a chemical process A + B at infinite dilution are, in principle, solvent dependent andwe may write AXo = XBO -XAO in the solvent So and AX = XB -XA in the solvent SL The _X are partial molar quant~ies atinfinite dilution:The operators 6 (solvent effect) and A (process) are thus permutable (4). Equation [ I ] shows the relationship which exists between the solvent effect on AX and the thermodynamic transfer quantities SX, and is at the origin of a generalised use of these transfer quantities in order t_o interpret the observed solvent effects (5-7). Nevertheless, SX are complex quantities, which reflect both solute-solvent and solvent-solvent interactions. To obtain information about the molecular structure of a solute it would be necessary to accede directly to the solute-solvent interaction and this is an important point when solvent effect studies are carried on in order to characterise short-lived species like electronic excited states or transition states.The thermodynamic quantity S F A for the transfer of a solute A from one solvent, So, to another, S, at infinite dilution, may '~u t h o r to whom correspondence should be addressed.be described as a sum of at least two terms2 sXA = (6...

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Section: One Obtainsmentioning

confidence: 99%

Section: The Enthalpy Of Cavity Formation: the Basic Equationmentioning

confidence: 99%

A further view on the calculation of the enthalpy of cavity formation in liquids. The influence of the cavity size and shape

Ramos¹,

Dionı́sio²,

Gonçalves³

et al. 1988

Can. J. Chem.

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The N‐Alkane Solvent Effect on the Dipole Moment of the Trans‐1,2‐Dibromocyclohexane

Dionı́sio

Almeida

Ramos

1990

Bulletin des Soc Chimique

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Di ole moment techn.iques have been applied to the study of the n-alkane environmental influence on the conkrmational equilibrium of trans-I ,2-dibromocvclohexane. Both the Debve and the Onsaaer theories have been used in order to calculate the dipole moment from the dielectric conktants of the liqur'd solutions, and the results have been obtained in five dtfferent n-alkane solvents. The eventual influence of the solvent molecular order in the position of the equilibrium is discussed.

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The effect of pressure on order destruction and order creation in linear or branched alkane mixtures

1989

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Effect of molecular size and shape on the excess enthalpy of liquid hydrocarbon mixtures

Cited by 5 publications

References 11 publications

A further view on the calculation of the enthalpy of cavity formation in liquids. The influence of the cavity size and shape

A further view on the calculation of the enthalpy of cavity formation in liquids. The influence of the cavity size and shape

The N‐Alkane Solvent Effect on the Dipole Moment of the Trans‐1,2‐Dibromocyclohexane

The effect of pressure on order destruction and order creation in linear or branched alkane mixtures

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