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新型分子筛的生成焓计算 被引量:1

The Calculations for the Enthalpy of Formation of Novel Molecular Sieves
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摘要 The enthalpies of formation of some compounds are not easy to be measured experimentally. This paper reports the calculated values of the heat of formation for some novel moleclar sieves by a rnethod of consistant molecular mechanics force field.The enthalpies of formation of novel type molecular sieves: ZSM-48, ZSM-22, ZSM-23 and ZSM-18, have been calculated. The enthalpies of formation of some compounds are not easy to be measured experimentally. This paper reports the calculated values of the heat of formation for some novel moleclar sieves by a rnethod of consistant molecular mechanics force field.The enthalpies of formation of novel type molecular sieves: ZSM-48, ZSM-22, ZSM-23 and ZSM-18, have been calculated.
出处 《物理化学学报》 SCIE CAS CSCD 北大核心 1996年第7期644-648,共5页 Acta Physico-Chimica Sinica
基金 国家自然科学基金 国家科学技术委员会攀登计划资助
关键词 生成焓 ZSM-48 ZSM-22 ZSM-23 ZSM-18 分子筛 Enthalpy of formation, ZSM-48, ZSM-22, ZSM-23, ZSM-18
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  • 1B. W. H. Beest,J. Verbeek,R. A. Santen. Ab initio calculations on ring-shaped silica clusters[J] 1988,Catalysis Letters(5):147~154

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