This title appears in the Scientific Report :
2006
Please use the identifier:
http://dx.doi.org/10.1063/1.2180251 in citations.
Please use the identifier: http://hdl.handle.net/2128/19086 in citations.
Isotropic-nematic spinodals of rigid long thin rodlike colloids by event-driven Brownian dynamics simulations
Isotropic-nematic spinodals of rigid long thin rodlike colloids by event-driven Brownian dynamics simulations
The isotropic-nematic spinodals of solutions of rigid spherocylindrical colloids with various shape anisotropies L/D in a wide range from 10 to 60 are investigated by means of Brownian dynamics simulations. To make these simulations feasible, we developed a new event-driven algorithm that takes the...
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Personal Name(s): | Tao, Y.-G. |
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den Otter, W. K. / Dhont, J. K. G. / Briels, W. J. | |
Contributing Institute: |
Weiche Materie; IFF-IWM |
Published in: | The @journal of chemical physics, 124 (2006) S. 134906 |
Imprint: |
Melville, NY
American Institute of Physics
2006
|
Physical Description: |
134906 |
DOI: |
10.1063/1.2180251 |
PubMed ID: |
16613476 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Journal of Chemical Physics
124 |
Subject (ZB): | |
Link: |
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Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/19086 in citations.
The isotropic-nematic spinodals of solutions of rigid spherocylindrical colloids with various shape anisotropies L/D in a wide range from 10 to 60 are investigated by means of Brownian dynamics simulations. To make these simulations feasible, we developed a new event-driven algorithm that takes the excluded volume interactions between particles into account as instantaneous collisions, but neglects the hydrodynamic interactions. This algorithm is applied to dense systems of highly elongated rods and proves to be efficient. The calculated isotropic-nematic spinodals lie between the previously established binodals in the phase diagram and extrapolate for infinitely long rods to Onsager's [Ann. N. Y. Acad. Sci. 51, 627 (1949)] theoretical predictions. Moreover, we investigate the shear induced shifts of the spinodals, qualitatively confirming the theoretical prediction of the critical shear rate at which the two spinodals merge and the isotropic-nematic phase transition ceases to exist. |