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Thermal Conductivity of Mesoporous MCM-41 Studied by Molecular Dynamics Methods and Kinetic Theory

[+] Author Affiliations
Congliang Huang, Yanhui Feng, Xinxin Zhang, Ge Wang, Mu Yang

University of Science and Technology Beijing, Beijing, China

Paper No. IHTC14-23031, pp. 457-462; 6 pages
  • 2010 14th International Heat Transfer Conference
  • 2010 14th International Heat Transfer Conference, Volume 6
  • Washington, DC, USA, August 8–13, 2010
  • Conference Sponsors: Heat Transfer Division
  • ISBN: 978-0-7918-4941-5 | eISBN: 978-0-7918-3879-2
  • Copyright © 2010 by ASME


MCM-41 consists of a hexagonal array of long, unconnected cylindrical pores with diameters that can be tailored within the range 1.6–10nm. As a porous silica nano-material, MCM-41 is thought to have a special thermal conductivity and is a promising porous substrate for mesoporous composites with high or low thermal conductivity. The Equilibrium Molecular Dynamics numerical simulations of thermal conductivity of MCM-41 are performed in this paper. FB potential equation and procedure of annealing are employed to get the structure of MCM-41. The Green-Kubo method is used to calculate the thermal conductivity of MCM-41. At the same time, the kinetic method is used to predict the thermal conductivity of MCM-41 for comparison. It turns out that the shell thermal conductivities of MCM-41 distribute within a reasonable range and increases linearly as porosity decreases, approaching the thermal conductivity of aerogels.

Copyright © 2010 by ASME



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