Significant structures theory

Significant Structure Theory and Eucken s Polymer Model. If we drop the restriction that the bulky species represent only Ice-I-like structures and reserve the term ice-like for water molecules which have merely the same spatial arrangement as ice (i.e., tetrahedrally hydrogen-bonded), we may include in this two-state theory (in which we have a bulky and a dense species) the treatment by Marchi and Eyring (107). This is a special case of the significant structure theory of liquids and introduces, as a specific element, fluidized vacancies in addition to the individual monomers (which, in turn, are assumed capable of free rotation). 

Sound Velocity and van der Waals Force in Liquids According to Significant Structure Theory... 

The significant structure theory of liquid has been one of the most widely applied of the various theories of liquids. It has been applied with success to predict the thermodynamic, dielectric, transport, and surface properties of many liquid systems ranging from simple liquids such as argon to complicated systems such as water or some mixtures. This model for liquids is based on several confirmed experimental facts and in this respect is the most acceptable of those currently offered. ... 

In this paper we discuss the further validity of the model by checking the velocities of sound and van der Waals forces in liquids. Since these properties are related to the second derivative of the partition function, their results will constitute a severe test of the model. According to the significant structure theory, the partition function of liquids can be expressed as follows ... 

The results might be improved by modifying the ideal gas partition function to allow for gas imperfections or by introducing the hindered rotation into the solidlike partition function. The success of significant structure theory in predicting the velocity of sound and the van der Waals constant a, which are dependent on the second derivatives of the partition function, is another piece of evidence for its general applicability. 

Professor Eyring developed two irnportant theories one is the theory of rate processes and the other the significant structure theory of liquids. Many liquid theories have been reported. I cannot think of any other however, which gives a clearer picture of liquid than the significant structure theory and is more applicable to so many types of liquid. 

Application of the Significant Structures Theory to Plastic Crystals ... 

The significant structures theory as developed for liquids by Eyring, Ree, and collaborators is shown to be applicable also to the plastic crystal state. The properties of CBr (in the plastic crystal state) were calculated and compared with the experimental data. The calculations were performed on a digital computer using, without alteration, a program developed for the liquid state. 

Since the significant structures theory as used by Eyring and collaborators is able to predict quite accurately all the thermodynamic and many physical properties of a liquid using a model that assumes the volume expansion of a liquid to be due to the introduction of holes in the solid lattice, it seems quite likely that the theory might also be applied to the plastic crystal state. In order to test this idea, the theory was applied to the plastic crystal state of CBr4, for which good experimental data are available. ... 

It is seen that the accuracy of the calculated properties is quite good—in most cases somewhat better than the accuracy expected for similar calculations of liquids. It must be concluded, therefore, that the significant structures theory yields an adequate description of the plastic crystal state as well as the liquid state. 

Jhon, M. S., Grosh, J., Ree, T. Eyring, H. (1966). Significant-structure theory applied to water and heavy water. J. Chem. Phys. 44, 1465-72. [83]... 

An approach alternative to the SPT, namely the domain model derived from the significant structure theory, was applied by Jhon et al. (1967) to the surface tension of water. According to the model, the water molecules at the surface layer are in an asymmetric field, having no neighbours in a direction perpendicular and outward from the surface. Water domains, the molecules of which are favourably oriented with respect to the field, fhen grow till equilibrium is reached. The surface tension is due to the orientation of molecules in the top layer and partly to changes in density within a few molecular diameters from the surface. The details of the calculation are, unfortunately, not provided in that paper. The values of y calculated by this approach agree within 1 % with the experimental ones from 0 to 100 °C and provide also correct values for the surface entropy. 

SIGNIFICANT STRUCTURE THEORY OF TRANSPORT PHENOMENA. REETS REET EYRING H J PHYS CHEM... 

SIGNIFICANT STRUCTURE THEORY OF BINARY LIQUID MIXTURES. CCL4 AND CYCLOHEXANE. 

SIGNIFICANT STRUCTURE THEORY APPLIED TO SURFACE TENSION. SIGNIFICANT STRUCTURE THEORY APPLIED TO MOLTEN SALTS. PH.D. THESIS. 

SIGNIFICANT STRUCTURE THEORY APPLIED TO SURFACE TENSION. 

THE SIGNIFICANT STRUCTURE THEORY OF VISCOSITY AND DIFFUSION IN LIQUIDS. 

PARTI. THE SIGNIFICANT STRUCTURE THEORY APPLIED TO LIQUID WATER AND HEAVY WATER. PART II. DIELECTRICAL PROPERTIES OF LIQUID WATER AND VARIOUS FORMS OF ICE. PART III. THE SIGNIFICANT STRUCTURE THEORY OF ISOMERIC EFFECTS. PH. D. THESIS. 

SIGNIFICANT STRUCTURES THEORY OF THE SURFACE TENSION OF POLYETHYLENE. 

LIQUID VISCOSITIES OF BINARY MIXTURES AND SOME HYDROCARBONS IN THE HIGH PRESSURE RANGE WITH APPLICATIONS OF THE SIGNIFICANT STRUCTURE THEORY. 

Marchi, R. P. Eyring, H. J. (1964) Application of Significant Structure Theory to Water, Journal of Physical Chemistry 68, 221-228... 

Application of the Significant Structure theory [60,184]. One of the first attempts to describe physisorption through statistical-mechanics theories was performed by McAlpin and Pierotti [60], who applied the Significant Structure theory to describe the physical adsorption of rare gases onto homogeneous solids. 

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