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In this paper, the mesoporous structural unit of MCM-41 is established first and the equilibrium molecular dynamics (EMD) numerical simulation is performed to obtain the shell thermal conductivity of MCM-41. Then, based on one-dimensional heat transfer analysis, the analytical expression for effective thermal conductivity of MCM-41 is obtained by coupling heat conduction in air-filled nano-pores and that in the shell. The effects of wall thickness, pore size and porosity on the thermal conductivities of the MCM-41 are further analyzed. It turns out that MCM-41 possesses good thermal insulation and the decrease of effective thermal conductivity is closely linear as porosity increases. Furthermore, the thermal conductivity shows that it is obviously anisotropic and its largest value is along the length of the pores, and that it has the quasi-one-dimensional characteristic.
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Keywords:
- effective thermal conductivity /
- mesoporous material /
- MCM-41 /
- equilibrium molecular dynamics
[1] Selvaraj M, Kawi S 2007 Micropor. and Mesopor. Mater. 98 143
[2] Singh A P, Gandhi D D, Lipp E, Eizenberg M, Ramanath G 2006 J. Appl. Phys. 100 114504
[3] Cai W P, Zhang L D 1997 Physics 24 213(in Chinese)[蔡伟平、张立德 1997 物理 24 213]
[4] Yao S S, Karaguleff C, Gabel A, Fortenberry R, Seaton C T, Stegeman G I 1985 Appl. Phys. Lett. 46 801
[5] Yasuda T, Komiyama H, Tanaka K 1987 Jpn. J. Appl. Phys. 26 818
[6] Coffer J L, Beauchamp G,Zerda T W 1992 J. Non-Cryst. Solids 142 208
[7] Tohge N, Asuka M, Minam T 1992 J. Non-Cryst. Solids 147-148 652
[8] Fan S Q, Cai W L, Mou J M,Chen H Y 2001 Chin. J. Chem. Phys. 14 205 (in Chinese)[樊三强、蔡维理、牟季美、陈慧余 2001 化学物理学报 14 205 ]
[9] Vendange V,Coloban P 1993 Mater. Sei. and Eng.A 168 199
[10] Sridhar M R, Yovanovich M M 1994 J. Thermophys. Heat Trans. 8 633
[11] Sridhar M R, Yovanovich M M 1996 ASME J. Heat Trans. 118 3
[12] Williamson M, Majumdar A 1992 ASME J. Heat Trans. 114 802
[13] Kim G S, Hyun S H 2003 J. Non-Crystalline Solids 320 125
[14] Jensen K I, Schultz J M, Kristiansen F H 2004 J. Non-Crystalline Solids 350 351
[15] Reim M, Komer W, Manara J, Korder S, Arduini-Schuster M, Ebert H P ,Fricke J 2005 Solar Energy 79 131
[16] Weckhuysen B M, Ramachandra Rao R, Bodart P, Debras G, Collart O, Voort P V, Schoonheydt R A, Vansant E F 2000 Chem. Eur. J. 6 2960
[17] Zheng S, Gao L, Guo J K 2002 Chem. J. Chin. Univers. 23 1126 (in Chinese)[郑 珊、高 濂、郭景坤 2002 高等学校化学学报 23 1126]
[18] Song C E, Lee S 2002 Chem.Rev. 102 3495
[19] Masteri-Farahani M, Farzaneh F, Ghandi M 2006 J. Mol. Catal. A: Chem. 248 53
[20] Corma A, Navarno M T, Perez P J 1994 J. Chem. Soc., Chem. Commun. 1 147
[21] Reddy K M, Moudrakovski I, Sayanri A 1994 J. Chem. Soc., Chem. Commun. 90 1059
[22] Yuan Z Y, Liu S Q, Chen T H, Wang J Z, Li H X 1995 J. Chem. Soc., Chem. Commun. 9 973
[23] Bischof C,Hartmann M 1998 Proc. Int. Zeolite Conf.12th. 2 809
[24] Li Z P 2003 Ph. D. Dissertation(Shanghai: Shanghai Institute of Ceramics, Chinese Academy of Sciences) (in Chinese) [李正平 2003 博士学位论文(上海:中国科学院上海硅酸盐研究所)]
[25] Kleestorfer K, Vinek H, Jentys A 2001 J. Molec. Catal. A: Chem. 166 53
[26] Flikkema E, Bromley S T 2003 Chem. Phys. Lett. 378 622
[27] Patrick K S, Simon R P, Pawel K 2002 Phys. Rev. B 65 144306
[28] Progelhof R C, Throne J L, Ruetsch R R 1976 Polym. Engin. and Sci. 16 615
[29] Lu X, Caps R, Fricke J, Alviso C T, Pekala R W 1995 J. Non-Crystal Solids 188 226
[30] Zeng T F, Chen G 2001 Trans. ASME, J. Heat Trans. 123 340
[31] Kim J H, Feldman A, Novotny D 1999 J. Appl. Phys. 86 3959
[32] Raudzis C E, Schatz F 2003 J. Appl. Phys. 93 6050
[33] Fricke J, Tillotson T 1997 Thin Solid Films 297(1-2) 212
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[1] Selvaraj M, Kawi S 2007 Micropor. and Mesopor. Mater. 98 143
[2] Singh A P, Gandhi D D, Lipp E, Eizenberg M, Ramanath G 2006 J. Appl. Phys. 100 114504
[3] Cai W P, Zhang L D 1997 Physics 24 213(in Chinese)[蔡伟平、张立德 1997 物理 24 213]
[4] Yao S S, Karaguleff C, Gabel A, Fortenberry R, Seaton C T, Stegeman G I 1985 Appl. Phys. Lett. 46 801
[5] Yasuda T, Komiyama H, Tanaka K 1987 Jpn. J. Appl. Phys. 26 818
[6] Coffer J L, Beauchamp G,Zerda T W 1992 J. Non-Cryst. Solids 142 208
[7] Tohge N, Asuka M, Minam T 1992 J. Non-Cryst. Solids 147-148 652
[8] Fan S Q, Cai W L, Mou J M,Chen H Y 2001 Chin. J. Chem. Phys. 14 205 (in Chinese)[樊三强、蔡维理、牟季美、陈慧余 2001 化学物理学报 14 205 ]
[9] Vendange V,Coloban P 1993 Mater. Sei. and Eng.A 168 199
[10] Sridhar M R, Yovanovich M M 1994 J. Thermophys. Heat Trans. 8 633
[11] Sridhar M R, Yovanovich M M 1996 ASME J. Heat Trans. 118 3
[12] Williamson M, Majumdar A 1992 ASME J. Heat Trans. 114 802
[13] Kim G S, Hyun S H 2003 J. Non-Crystalline Solids 320 125
[14] Jensen K I, Schultz J M, Kristiansen F H 2004 J. Non-Crystalline Solids 350 351
[15] Reim M, Komer W, Manara J, Korder S, Arduini-Schuster M, Ebert H P ,Fricke J 2005 Solar Energy 79 131
[16] Weckhuysen B M, Ramachandra Rao R, Bodart P, Debras G, Collart O, Voort P V, Schoonheydt R A, Vansant E F 2000 Chem. Eur. J. 6 2960
[17] Zheng S, Gao L, Guo J K 2002 Chem. J. Chin. Univers. 23 1126 (in Chinese)[郑 珊、高 濂、郭景坤 2002 高等学校化学学报 23 1126]
[18] Song C E, Lee S 2002 Chem.Rev. 102 3495
[19] Masteri-Farahani M, Farzaneh F, Ghandi M 2006 J. Mol. Catal. A: Chem. 248 53
[20] Corma A, Navarno M T, Perez P J 1994 J. Chem. Soc., Chem. Commun. 1 147
[21] Reddy K M, Moudrakovski I, Sayanri A 1994 J. Chem. Soc., Chem. Commun. 90 1059
[22] Yuan Z Y, Liu S Q, Chen T H, Wang J Z, Li H X 1995 J. Chem. Soc., Chem. Commun. 9 973
[23] Bischof C,Hartmann M 1998 Proc. Int. Zeolite Conf.12th. 2 809
[24] Li Z P 2003 Ph. D. Dissertation(Shanghai: Shanghai Institute of Ceramics, Chinese Academy of Sciences) (in Chinese) [李正平 2003 博士学位论文(上海:中国科学院上海硅酸盐研究所)]
[25] Kleestorfer K, Vinek H, Jentys A 2001 J. Molec. Catal. A: Chem. 166 53
[26] Flikkema E, Bromley S T 2003 Chem. Phys. Lett. 378 622
[27] Patrick K S, Simon R P, Pawel K 2002 Phys. Rev. B 65 144306
[28] Progelhof R C, Throne J L, Ruetsch R R 1976 Polym. Engin. and Sci. 16 615
[29] Lu X, Caps R, Fricke J, Alviso C T, Pekala R W 1995 J. Non-Crystal Solids 188 226
[30] Zeng T F, Chen G 2001 Trans. ASME, J. Heat Trans. 123 340
[31] Kim J H, Feldman A, Novotny D 1999 J. Appl. Phys. 86 3959
[32] Raudzis C E, Schatz F 2003 J. Appl. Phys. 93 6050
[33] Fricke J, Tillotson T 1997 Thin Solid Films 297(1-2) 212
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