Thermodynamics of Mixtures Containing Organic Carbonates. Part XV. Application of the Kirkwood-Buff Theory to the Study of Interactions in Liquid Mixtures Containing Dialkyl Carbonates and Alkanes, Benzene, CCl4 or 1-Alkanols

2006 ◽  
Vol 35 (6) ◽  
pp. 787-801 ◽  
Author(s):  
Juan Antonio González ◽  
Ismael Mozo ◽  
S. Villa ◽  
Nicolás Riesco ◽  
Isaías García de la Fuente ◽  
...  

This paper describes a new statistical treatment of ordering effects in mixtures of spherical molecules, based on a general expansion of the Helmholtz free-energy function about the condition of random mixing. This expansion is similar to that introduced by Kirkwood (1938) for lattice theories, but unlike the latter is based only on the canonical distribution of petit ensemble theory. It is shown that for mixtures of Lennard-Jones molecules the moments in the expansion can be reduced to non-thermodynamic statistical functions of a single reference substance; and by using the assumptions of the cell model, these functions are related to thermodynamic properties. The first approximations for the thermodynamic functions of ordering are discussed for a certain class of mixtures, and it is shown that although ordering effects are small in mixtures of molecules of equal size, they can be large when the molecules differ in size. The equations are used to calculate the ordering effects in liquid mixtures of carbon monoxide and methane.


2016 ◽  
Vol 12 ◽  
pp. 1911-1924 ◽  
Author(s):  
Maurizio Selva ◽  
Alvise Perosa ◽  
Sandro Guidi ◽  
Lisa Cattelan

The use of ionic liquids (ILs) as organocatalysts is reviewed for transesterification reactions, specifically for the conversion of nontoxic compounds such as dialkyl carbonates to both linear mono-transesterification products or alkylene carbonates. An introductory survey compares pros and cons of classic catalysts based on both acidic and basic systems, to ionic liquids. Then, innovative green syntheses of task-specific ILs and their representative applications are introduced to detail the efficiency and highly selective outcome of ILs-catalyzed transesterification reactions. A mechanistic hypothesis is discussed by the concept of cooperative catalysis based on the dual (electrophilic/nucleophilic) activation of reactants.


2002 ◽  
Vol 200 (2) ◽  
pp. 349-374 ◽  
Author(s):  
J.A Gonzalez ◽  
M Szurgocinska ◽  
U Domanska

1980 ◽  
Vol 41 (C7) ◽  
pp. C7-133-C7-136 ◽  
Author(s):  
J. del Cueto ◽  
R. L. Johnson ◽  
T. Rohde ◽  
F. H. Wirth ◽  
E. H. Graf

Author(s):  
V.N. Petrov ◽  
◽  
V.F. Sopin ◽  
L.A. Akhmetzyanova ◽  
Ya.S. Petrova ◽  
...  

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