Wertheim's first order thermodynamic perturbation theory (TPT1): Difference between revisions
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Wertheim's first order thermodynamic perturbation theory (TPT1) <ref>[http://dx.doi.org/10.1007/BF01017362 M. S. Wertheim "Fluids with highly directional attractive forces. I. Statistical thermodynamics" Journal of Statistical Physics '''35''' pp. 19-34 (1984)]</ref> | |||
<ref>[http://dx.doi.org/10.1007/BF01017363 M. S. Wertheim "Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations" Journal of Statistical Physics '''35''' pp. 35-47 (1984)]</ref> | |||
<ref>[http://dx.doi.org/10.1007/BF01127721 M. S. Wertheim "Fluids with highly directional attractive forces. III. Multiple attraction sites" Journal of Statistical Physics '''42''' pp. 459-476 (1986)]</ref> | |||
<ref>[http://dx.doi.org/10.1007/BF01127722 M. S. Wertheim "Fluids with highly directional attractive forces. IV. Equilibrium polymerization" Journal of Statistical Physics '''42''' pp. 477-492 (1986)]</ref> | |||
<ref>[http://dx.doi.org/10.1063/1.453326 M. S. Wertheim "Thermodynamic perturbation theory of polymerization", Journal of Chemical Physics '''87''' pp. 7323-7331 (1987)]</ref> | |||
can be expressed as: | |||
:<math>Z_{\rm TPT1} = \frac{p}{\rho k_BT}= mZ_{\rm monomer}- (m-1)\left( 1 + \rho_{\rm monomer}\frac{\partial \ln {\rm g}(\sigma)}{\partial \rho_{\rm monomer}}\right)</math> | :<math>Z_{\rm TPT1} = \frac{p}{\rho k_BT}= mZ_{\rm monomer}- (m-1)\left( 1 + \rho_{\rm monomer}\frac{\partial \ln {\rm g}(\sigma)}{\partial \rho_{\rm monomer}}\right)</math> | ||
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*[[SAFT]] | *[[SAFT]] | ||
==References== | ==References== | ||
<references/> | |||
[[category:perturbation theory]] | [[category:perturbation theory]] | ||
Revision as of 15:21, 5 September 2011
Wertheim's first order thermodynamic perturbation theory (TPT1) [1] [2] [3] [4] [5] can be expressed as:
where is the equation of state of the monomer system and m is the number of monomers in the chains.
For example, in the study of the flexible hard sphere chain model one can use the Carnahan-Starling equation of state for , leading to
See also
References
- ↑ M. S. Wertheim "Fluids with highly directional attractive forces. I. Statistical thermodynamics" Journal of Statistical Physics 35 pp. 19-34 (1984)
- ↑ M. S. Wertheim "Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations" Journal of Statistical Physics 35 pp. 35-47 (1984)
- ↑ M. S. Wertheim "Fluids with highly directional attractive forces. III. Multiple attraction sites" Journal of Statistical Physics 42 pp. 459-476 (1986)
- ↑ M. S. Wertheim "Fluids with highly directional attractive forces. IV. Equilibrium polymerization" Journal of Statistical Physics 42 pp. 477-492 (1986)
- ↑ M. S. Wertheim "Thermodynamic perturbation theory of polymerization", Journal of Chemical Physics 87 pp. 7323-7331 (1987)