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Molecular Dynamics Studies on Thermal Behavior of a FAU-type Zeolite

Molecular Dynamics Studies on Thermal Behavior of a FAU-type Zeolite
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摘要 Molecular Dynamics (MD) simulations of siliceous FAU-type zeolite were carried out at various temperatures. to investigate its thermal behaviors. From the study. we found that pure silicon fanjasite showed different thermal behaviors below 1500K and above 1500K. its cell volume gradually shrinks with the rising of the temperature below 1500K. the cell volume of the zeolite changes little above 1500K. Molecular Dynamics (MD) simulations of siliceous FAU-type zeolite were carried out at various temperatures. to investigate its thermal behaviors. From the study. we found that pure silicon fanjasite showed different thermal behaviors below 1500K and above 1500K. its cell volume gradually shrinks with the rising of the temperature below 1500K. the cell volume of the zeolite changes little above 1500K.
出处 《Chinese Chemical Letters》 SCIE CAS CSCD 1999年第6期515-518,共4页 中国化学快报(英文版)
关键词 ZEOLITE molecular dynamics(MD) thermal behavior Zeolite, molecular dynamics(MD), thermal behavior
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