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Computer simulations of Brownian motion of complex systems

Published online by Cambridge University Press:  26 April 2006

P. S. Grassia ,
E. J. Hinch  and
L. C. Nitsche
P. S. Grassia
Affiliation:
Department of Applied Mathematics and Theoretical Physics, The University of Cambridge, Silver Street, Cambridge CB3 9EW, UK
E. J. Hinch
Affiliation:
Department of Applied Mathematics and Theoretical Physics, The University of Cambridge, Silver Street, Cambridge CB3 9EW, UK
L. C. Nitsche
Affiliation:
Department of Chemical Engineering, The University of Illinois at Chicago, 810 South Clinton Street, Chicago, IL 60607, USA
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Abstract

Care is needed with algorithms for computer simulations of the Brownian motion of complex systems, such as colloidal and macromolecular systems which have internal degrees of freedom describing changes in configuration. Problems can arise when the diffusivity or the inertia changes with the configuration of the system. There are some problems in replacing very stiff bonds by rigid constraints. These problems and their resolution are illustrated by some artificial models; firstly in one dimension, then in the neighbourhood of an ellipse in two dimensions and finally for the trimer polymer molecule.

Type
Research Article
Information
Journal of Fluid Mechanics , Volume 282 , 10 January 1995 , pp. 373 - 403
Copyright
© 1995 Cambridge University Press

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