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.
2010 14th International Heat Transfer Conference
August 8–13, 2010
Washington, DC, USA
Conference Sponsors:
- Heat Transfer Division
ISBN:
978-0-7918-4941-5
PROCEEDINGS PAPER
Thermal Conductivity of Mesoporous MCM-41 Studied by Molecular Dynamics Methods and Kinetic Theory
Congliang Huang
,
Congliang Huang
University of Science and Technology Beijing, Beijing, China
Search for other works by this author on:
Yanhui Feng
,
Yanhui Feng
University of Science and Technology Beijing, Beijing, China
Search for other works by this author on:
Xinxin Zhang
,
Xinxin Zhang
University of Science and Technology Beijing, Beijing, China
Search for other works by this author on:
Ge Wang
,
Ge Wang
University of Science and Technology Beijing, Beijing, China
Search for other works by this author on:
Mu Yang
Mu Yang
University of Science and Technology Beijing, Beijing, China
Search for other works by this author on:
Author Information
Congliang Huang
University of Science and Technology Beijing, Beijing, China
Yanhui Feng
University of Science and Technology Beijing, Beijing, China
Xinxin Zhang
University of Science and Technology Beijing, Beijing, China
Ge Wang
University of Science and Technology Beijing, Beijing, China
Mu Yang
University of Science and Technology Beijing, Beijing, China
Paper No:
IHTC14-23031, pp. 457-462; 6 pages
Published Online:
March 1, 2011
Citation
Huang, Congliang, Feng, Yanhui, Zhang, Xinxin, Wang, Ge, and Yang, Mu. "Thermal Conductivity of Mesoporous MCM-41 Studied by Molecular Dynamics Methods and Kinetic Theory." Proceedings of the 2010 14th International Heat Transfer Conference. 2010 14th International Heat Transfer Conference, Volume 6. Washington, DC, USA. August 8–13, 2010. pp. 457-462. ASME. https://doi.org/10.1115/IHTC14-23031
Download citation file:
- Ris (Zotero)
- Reference Manager
- EasyBib
- Bookends
- Mendeley
- Papers
- EndNote
- RefWorks
- BibTex
- ProCite
- Medlars
Close
Sign In
Related Proceedings Papers
Related Articles
Prediction of the Thermal Conductivity of ZnO Nanostructures
J. Heat Transfer (April, 2012)
In-Plane and Out-Of-Plane Thermal Conductivity of Silicon Thin Films Predicted by Molecular Dynamics
J. Heat Transfer (November, 2006)
Equilibrium Molecular Dynamics Study of Lattice Thermal Conductivity/Conductance of Au-SAM-Au Junctions
J. Heat Transfer (March, 2010)
Related Chapters
Molecular Dynamics and Mesoscopic Simulation for the Miscibility of Polypropylene/Polyamide-11 Blends
International Conference on Information Technology and Computer Science, 3rd (ITCS 2011)
Molecular Dynamics Study of Mechanical Properties of Carbon-Nanotube Reinforced LY556 Composites
International Conference on Computer and Electrical Engineering 4th (ICCEE 2011)
Constraints
Nonlinear Regression Modeling for Engineering Applications: Modeling, Model Validation, and Enabling Design of Experiments