| | |
| | |
Stat |
Members: 3643 Articles: 2'487'895 Articles rated: 2609
28 March 2024 |
|
| | | |
|
Article overview
| |
|
Theory for the nonequilibrium dynamics of flexible chain molecules: relaxation to equilibrium of pentadecane from an all-trans conformation | Wilfred H. Tang
; Konstantin S. Kostov
; Karl F. Freed
; | Date: |
26 Feb 1998 | Subject: | Soft Condensed Matter | cond-mat.soft | Abstract: | We extend to nonequilibrium processes our recent theory for the long time dynamics of flexible chain molecules. While the previous theory describes the equilibrium motions for any bond or interatomic separation in (bio)polymers by time correlation functions, the present extension of the theory enables the prediction of the nonequilibrium relaxation that occurs in processes, such as T-jump experiments, where there are sudden transitions between, for example, different equilibrium states. As a test of the theory, we consider the ``unfolding’’ of pentadecane when it is transported from a constrained all-trans conformation to a random-coil state at thermal equilibrium. The time evolution of the mean-square end-to-end distance after release of the constraint is computed both from the theory and from Brownian dynamics (BD) simulations. The predictions of the theory agree very well with the BD simulations. Furthermore, the theory produces enormous savings in computer time. This work is a starting point for the application of the new method to nonequilibrium processes with biological importance such as the helix-coil transition and protein folding. | Source: | arXiv, cond-mat/9802277 | Services: | Forum | Review | PDF | Favorites |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser claudebot
|
| |
|
|
|
| News, job offers and information for researchers and scientists:
| |