Thermodynamic properties of short-range square well fluid

2006 ◽  
Vol 125 (8) ◽  
pp. 084508 ◽  
Author(s):  
R. López-Rendón ◽  
Y. Reyes ◽  
P. Orea
Keyword(s):  
Thermodynamic Properties ◽  
Short Range ◽  
Square Well

Thermodynamic properties of hard ellipsoid square-well fluid

Pramana ◽  
1990 ◽  
Vol 34 (2) ◽  
pp. 123-131 ◽  
Author(s):  
A K Singh ◽  
T K Dey ◽  
S K Sinha
Keyword(s):  
Thermodynamic Properties ◽  
Square Well ◽  
Hard Ellipsoid

Thermodynamic properties of pure and dilute alkali cyanides: Short-range-order effects

1985 ◽  
Vol 31 (10) ◽  
pp. 6716-6720 ◽  
Author(s):  
Belita Koiller ◽  
Maria A. Davidovich ◽  
Fritz Lüty
Keyword(s):  
Thermodynamic Properties ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Effects

scholarly journals Discriminative interactions between chiral molecules: internal discrimination in 1,2-difluorohydrazine

1985 ◽  
Vol 63 (7) ◽  
pp. 1639-1641 ◽  
Author(s):  
Rudolf Zahradník ◽  
Bohdan Schneider ◽  
Pavel Hobza ◽  
Zdenêk Havlas ◽  
Hanspeter Huber
Keyword(s):  
Thermodynamic Properties ◽  
Quantum Chemical ◽  
Short Range ◽  
Energy Surface ◽  
Saddle Points ◽  
Ideal Gas ◽  
Chiral Molecules ◽  
Standard State ◽  
Transition Complex ◽  
Stable Structures

1,2-Difluorohydrazine represents a model for studying short-range discriminative interactions between two chiral radicals. Possible diastereomeric structures of the system were theoretically investigated by means of nonempirical SCF quantum chemical calculations. Four minima and six saddle points separating them were found on the potential energy surface. All the stable structures and one transition complex were completely optimized. Thermodynamic properties for the equilibrium between the two most stable conformers (meso and chiral) of difluorohydrazine are as follows (in kJ/mol): [Formula: see text], [Formula: see text] (standard state: ideal gas at 101.325 kPa, 298 K).

Matrix Description of Some Thermodynamic Properties of Multicomponent Alloys in Explicit Form

2007 ◽  
Vol 268 ◽  
pp. 51-58
Author(s):  
L.I. Erokhin
Keyword(s):  
Thermodynamic Properties ◽  
Explicit Form ◽  
Short Range ◽  
Binary Systems ◽  
Chemical Potential ◽  
Diffusion Processes ◽  
Diffusion Theory ◽  
Multicomponent Systems ◽  
Multicomponent Alloys ◽  
Practical Applications

A matrix method for description of some thermodynamic properties in multicomponent alloys in explicit form has been proposed. It has been found that the method for determining thermodynamic properties from the cross-section data allows to find the contribution of short-range ordering into the thermodynamic state of an imperfect alloy. Diffusion processes in alloys are formed both from purely kinetic migrations of particles and from the system's thermodynamic properties. A consequence of this fact is that the diffusion coefficients D in all systems except for perfect solid solutions include to factors being D = Lg , the second one is the thermodynamic factor directly related to the system's chemical potential. However direct experimental separation of these factors can easily be performed in binary systems only while in triple systems in is highly difficult let alone multicomponent systems. Experimental evaluation of the factors in multicomponent systems from short-range order's parameters [1] would allow to establish a relation between the system's thermodynamic properties which is highly important for further progress in multicomponent diffusion theory and for practical applications.

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