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Monte Carlo Calculations on the Dynamics of Polymers in Dilute Solution
Abstract
A method is described for simulating the dynamical behavior of a linear polymer in dilute solution, subject to random collision with solvent molecules. Equilibrium distributions of various chain dimensions may be obtained by periodic inspection of the chain. Relaxation phenomena in such chains may also be studied. Results are given for equilibrium distribution and relaxation behavior of the end-to-end length, for chains of 8, 16, 32, and 64 beads. The equilibrium chain dimensions are in satisfactory accord with the calculations of Wall and his collaborators, while the relaxation times are close to those predicted with the aid of the hydrodynamic theory of Rouse and Zimm.
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Cited by
THEORY OF PROTEIN FOLDING: The Energy Landscape Perspective
Onuchic, J. N., Luthey-Schulten, Z., & Wolynes, P. G. (1997) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.48.1.545 · Cited by 2,210
Interdiffusion and self-diffusion in polymer mixtures: A Monte Carlo study
Deutsch, H. P., & Binder, K. (1991) · The Journal of Chemical Physics · doi:10.1063/1.459901 · Cited by 585
Viscosity of Entangling Polydisperse Polymers
Graessley, W. W. (1967) · The Journal of Chemical Physics · doi:10.1063/1.1712222 · Cited by 310
Gilbert, B. R., Thornburg, Z. R., Lam, V., Rashid, F.-Z. M., Glass, J. I., Villa, E., Dame, R. T., & Luthey-Schulten, Z. (2021) · Frontiers in Molecular Biosciences · doi:10.3389/fmolb.2021.644133 · Cited by 30
“There is a rich history of proteins and other polymers being modeled using discrete lattice models (Verdier and Stockmayer, 1962; Heilmann and Rotne, 1982; Lau and Dill, 1989; Madras et al., 1990; Dill et al., 1995).”
BackgroundMethod
Metadata
- Authors
- Verdier, P. H., & Stockmayer, W. H.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1962-01-01
- Volume
- 36
- Issue
- 1
- Pages
- 227-235
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1977334225
- Cited by
- 547
- References
- 0
- FWCI
- 3.50
- Type
- journal article
- Language
- en
- Open access
- closed
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- Verdier, P. H., & Stockmayer, W. H. (1962). Monte Carlo Calculations on the Dynamics of Polymers in Dilute Solution. The Journal of Chemical Physics. https://doi.org/10.1063/1.1732301
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