Variable‐structure cell theory of liquids and glasses

1994 ◽  
Vol 101 (7) ◽  
pp. 6216-6221 ◽  
Author(s):  
Frank L. Somer ◽  
Jeffrey Kovac
Keyword(s):  
Variable Structure ◽  
Cell Theory ◽  
Theory Of Liquids

Molecular correlations in Cell Theories of liquids and solutions

1954 ◽  
Vol 7 (1) ◽  
pp. 28 ◽  
Author(s):  
JA Barker
Keyword(s):  
Cell Theory ◽  
Lennard Jones ◽  
Theory Of Liquids ◽  
Thermodynamic Effects

The thermodynamic effects of correlations between the motions of molecules in neighbouring cells in the Lennard-Jones and Devonshire cell theory of liquids and solutions are calculated approximately, and found to be sufficiently small to be negligible for many purposes.

Corrigenda

1957 ◽  
Vol 240 (1221) ◽  
pp. 273-273
Keyword(s):  
Cell Theory ◽  
Theory Of Liquids

The author regrets the following errors which occurred in ‘The cell theory of liquids. II’ (Barker, J. A. 1956 Proc. Roy. Soc . A, 237, 63): (i) In (3.2), I nm in first summation should be I nm . (ii) On p. 65, line 22, kT /σ should be kT /∊. (iii) In (3.6), ∫ 1 1 G ( r 1 , θ 2 ) should be ∫ -1 1 G ( r 2 , θ 2 ). (iv) In (3.8), r. h. s. should be √( a 2 + r 2 2 – 2 ar 2 cos θ 2 ). (v) On p. 66, line 5, u 2 should be u 1 2 . (vi) In (4.2), r. h. s. should be λ k μ k ω k * . (vii) In (4.12), 1. h. s. should be v f 3 ω 2 * f ". (viii) In (5.6), second = should be –. (ix) In table 8, last column heading should be N̄ 2 /½ cNw 2 .

The cell theory of liquids. II

1956 ◽  
Vol 237 (1208) ◽  
pp. 63-74 ◽  
Keyword(s):  
Free Energy ◽  
Critical Region ◽  
Major Part ◽  
Inert Gases ◽  
Simple Cell ◽  
Cell Theory ◽  
Correlation Effects ◽  
Theory Of Liquids

Numerical values of some integrals required in the refined cell theory of liquids are presented for the 12-6 potential in the critical region of density and temperature. The results show the importance of multiple occupation and correlation effects, and of the ‘smearing’ approxiation. Comparison of free energy curves derived from the theory with those for inert gases shows that consideration of binary correlations and multiple occupation of cells corrects the major part of the error of the simple cell theory. It is necessary to take correlations into account in determining multiple occupation factors. The theories of Barker and de Boer are compared; although they are both formally convergent, the theory of Barker appears to give better results in practice.

The cell theory of liquids

1955 ◽  
Vol 230 (1182) ◽  
pp. 390-398 ◽  
Keyword(s):  
Numerical Results ◽  
Cell Theory ◽  
Exact Theory ◽  
Current Cell ◽  
Theory Of Liquids

The cell concept is used as basis for a formally exact theory of liquids. Methods for evaluating the integrals required are indicated, and sufficient numerical results are obtained to discuss the importance of (i) multiple occupation of cells, (ii) correlation or coupling of motion of molecules in different cells, (iii) ‘smearing’ of the potential due to neighbours. Current cell theories are examined in the light of the results.

Present state of the theory of liquids

1962 ◽  
Vol 76 (3) ◽  
pp. 499-518 ◽  
Author(s):  
I.Z. Fisher
Keyword(s):  
Present State ◽  
Theory Of Liquids
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