Sabater I Serra, R.; Torregrosa Cabanilles, C.; Meseguer Dueñas, JM.; Gómez Ribelles, JL.; Molina Mateo, J. (2014). Conformation and dynamics of a diluted chain in the presence of an adsorbing wall: A simulation with the bond fluctuation model. Journal of Non-Crystalline Solids. 402:7-15. https://doi.org/10.1016/j.jnoncrysol.2014.05.009
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/84437
Title:
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Conformation and dynamics of a diluted chain in the presence of an adsorbing wall: A simulation with the bond fluctuation model
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Author:
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Sabater i Serra, Roser
Torregrosa Cabanilles, Constantino
Meseguer Dueñas, José María
Gómez Ribelles, José Luís
Molina Mateo, José
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UPV Unit:
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Universitat Politècnica de València. Centro de Biomateriales e Ingeniería Tisular - Centre de Biomaterials i Enginyeria Tissular
Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Departamento de Termodinámica Aplicada - Departament de Termodinàmica Aplicada
Universitat Politècnica de València. Departamento de Ingeniería Eléctrica - Departament d'Enginyeria Elèctrica
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Issued date:
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Abstract:
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The bond fluctuation model has been used to simulate the adsorption process of a single long polymer chain on an adsorbing surface. Simulations start at high temperature with the chain in an equilibrium coil structure. The ...[+]
The bond fluctuation model has been used to simulate the adsorption process of a single long polymer chain on an adsorbing surface. Simulations start at high temperature with the chain in an equilibrium coil structure. The inter- and intra chain energy potential were selected in such a way that on cooling the polymer chain vitrifies without any indication of chain ordering or chain folding. The structure attained on cooling is analysed for arrange of values of the interaction potential between the surface and the polymer segments. Adsorption is measured by the fraction of polymer segments situated on the adsorbingwallwhilst crystalline ordering is characterized by the pair correlation function g(r), the bond order parameter P2(r) and the bond correlation functionM(j). Isothermal adsorption is followed as well as a function of temperature. The work shows that adsorbing surface nucleates crystalline order by suppressing one dimension in the segmental mobility of the polymer chain, along with factors as thermal treatment and inter and intra-potentials.
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Subjects:
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Bond fluctuation model
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Polymer chain
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Random coil
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Adsorption process
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Copyrigths:
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Reserva de todos los derechos
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Source:
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Journal of Non-Crystalline Solids. (issn:
0022-3093
) (eissn:
1873-4812
)
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DOI:
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10.1016/j.jnoncrysol.2014.05.009
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Publisher:
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Elsevier
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Publisher version:
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http://dx.doi.org/10.1016/j.jnoncrysol.2014.05.009
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Project ID:
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info:eu-repo/grantAgreement/MINECO//MAT2012-38359-C03-01/ES/Materiales que inducen la fibrilogénesis de la fibronectina para producir microambientes sinérgicos en los factores de crecimiento/
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Thanks:
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RSS gratefully acknowledges the support of the Spanish Ministerio de Economia y Competitividad (MINECO) and FEDER funds under the project MAT2012-38359-C03-01.
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Type:
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Artículo
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