Mathematical Modeling of Nanomaterials - COMSOL.com

Excerpt from the Proceedings of the COMSOL Multiphysics User's Conference 2005 Frankfurt
Figure 9. Macroscale model
Figure 10. Particle scale simulation
1.3 Conclusion
We have developed a new model for an aqueous intumescent nanocomposite material which
was recently introduced for fire retardation. The model provided a high correlation to
experimental data obtained in oven measurements. We also have developed a numerical
simulation for the behaviour of magnetic nanoparticles in a carrier liquid for in vivo
applications.
The implementations were possible by means of the finite element and different meshing
capabilities of FEMLAB, which combined with evolutionary algorithmic tools allowed to obtain
the scientific simulations used for our models.
References
Computational Modeling of Fire-Retardant Nanocomposite Gels
J. Buckmaster, C. E. Anderson, and A. Nachman, A model for intumescent paints. Int. J. Eng. Sci.
24:263-276, 1986.
C. E. Anderson, D. K. Wauters. A thermodynamic heat transfer model for intumescent systems
Int. J. Eng, Sci. 22:881-889, 1984.
K. M. Butler. ”Modeling of intumescent fire retardant polymers”. Polymeric Foams: “Science and
Technology Proceedings”. American Chemical Society, ACS Symposium Series 669 Chapter 15
1997
Khemani, K. C., American Chemical Society, Washington, DC, 214-230 pp, 1997.
K. M. Butler. Numerical model for combustion of bubbling thermoplastic materials in microgravity
Technical Report NISTIR 6894, National Institute of Standards and Technology, 2002
Magnetic nanoparticles for in Vivo applications: A Numerical modeling study
S. Lübbe, C. Bergmann, W. Hunht, T. Frickem H. Riess, J. W. Brock and D.
Huhn, Cancer Research, 56, 4694 (1998)
Ch. Alexiou, W. Arnold, R.J. Klein, F. G. Parak, P. Hulin, C. Bergemman, W. Erhardt, S. Wagenpfeil
and A.S. Lübbe, Cancer Research, 60, 6641 (2000)
R.E. Rosensweig, Ferrohydrodynamics. Dover Publications, New York (2003)
S. Odenbach, Ferrofluids: Magnetically Controllable Fluids and Their Applications. Springer,
New York (2003)
E. Weinan and B. Enquist, The heterogeneous multiscale method, Comm. Math. Sci., in drug targeting
FEMLAB is a trademark of Comsol www.comsol.com