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Equation of State of Charged Rod Dispersions

[Image: see text] We study the accuracy of the theory of Stroobants, Lekkerkerker, and Odijk [Macromolecules1986, 19, 2232–2238], called SLO theory, to describe the thermodynamic properties of an isotropic fluid of charged rods. By incorporation of the effective diameter of the rods according to SLO...

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Detalles Bibliográficos
Autores principales: Tuinier, Remco, Kuhnhold, Anja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10614191/
https://www.ncbi.nlm.nih.gov/pubmed/37831936
http://dx.doi.org/10.1021/acs.jpcb.3c04590
Descripción
Sumario:[Image: see text] We study the accuracy of the theory of Stroobants, Lekkerkerker, and Odijk [Macromolecules1986, 19, 2232–2238], called SLO theory, to describe the thermodynamic properties of an isotropic fluid of charged rods. By incorporation of the effective diameter of the rods according to SLO theory into scaled particle theory (SPT), we obtain an expression for the rod concentration-dependent free volume fraction and the osmotic pressure of a collection of charged hard spherocylinders. The results are compared to Monte Carlo simulations. We find close agreement between the simulation results and the SLO-SPT predictions for not too large values of the Debye length and for high rod charge densities. The deviations increase with rod density, particularly at concentrations above which isotropic–nematic phase transitions are expected.