Samenvatting
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.
| Originele taal-2 | Engels |
|---|---|
| Pagina's (van-tot) | 9058-9065 |
| Aantal pagina's | 8 |
| Tijdschrift | Journal of Physical Chemistry B |
| Volume | 127 |
| Nummer van het tijdschrift | 42 |
| DOI's | |
| Status | Gepubliceerd - 26 okt. 2023 |
Financiering
This work was financially supported by the European Union’s Horizon 2020 research and innovation program by the EIC Pathfinder Open “INTEGRATE”, grant agreement 101046333, and by the Dutch Ministry of Education, Culture and Science (Gravity Program 024.005.020–Interactive Polymer Materials IPM). R.T. thanks Dr. Joeri Opdam, Eleonora Foschino (TU Eindhoven), and Dr. Vincent F. D. Peters (Utrecht University) for useful discussions. Vincent is also thanked for checking the validity of at an early stage.
| Financiers | Financiernummer |
|---|---|
| European Union’s Horizon Europe research and innovation programme | 101046333 |
| Ministerie van OCW |