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Monte Carlo Computer Simulation of a Single Semi-Flexible Macromolecule at a Plane Surfaceстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 19 июля 2013 г.
- Авторы: Monte Carlo Surface, Ivanov Victor A., Martemyanova Julia A.
- Журнал: Macromolecular Symposia
- Том: 252
- Год издания: 2007
- Издательство: John Wiley & Sons Ltd.
- Местоположение издательства: United Kingdom
- Первая страница: 12
- Последняя страница: 23
- DOI: 10.1002/mays.200750602
- Аннотация: The properties of a single semiflexible mishroom chain at a plan surface with a long-ranged attracting potential are studied by means of lattice Monte Carlo computer simulation using the bond fluctuation model, configurational bias algorithm for chain re-growing and Wang-Landau sampling technique. We present the diagram of states in variables temperature T vs. strength of the adsorption potential, e_w, for a quite short semiflexible chain consisting of N=64 monomer units. The diagram of states consists of the regions of a coil, liquid globule, solid isotropic globule, adsorbed coil and cylinder-like liquid-crystalline globule. At low values of the adsorption strength e_w the coil-globule and the subsequent liquid-solid globule transitions are observed upon decreasing temperature below the adsorption transition point. At high values of e_w these two transitions change into a single transition from anadsorbed coil to a cylinder-like liquid-crystalline solid globule. We conclude that for a semiflexible chain the presence of a plan attracting surface favors the formation of a globule with internal liquid-crystalline ordering of bonds.
- Добавил в систему: Мартемьянова Юлия Алексеевна