摘要
用高分辨固体ＭＡＳ２９Ｓｉ－ＮＭＲ法测定Ｙ型分子筛的骨架硅铝比，直接可靠，优于依靠经验公式的Ｘ射线衍射法和红外光谱法，但谱峰重叠，严重妨碍实际应用。用固体核磁共振谱模拟程序处理分子筛的ＭＡＳ２９Ｓｉ－ＮＭＲ谱，不受谱峰重叠的限制。该程序能自动算出骨架硅铝比，分别绘出分子筛中Ｓｉ（ｍＡｌ）的模拟谱峰，算出Ｓｉ原子的机率分布（归一化的谱峰面积），且运算速度快，操作简便，可在普通ＰＣ机上运行。
From the intensity of the MAS 29 Si NMR resonances found in five chemical shift ranges of zeolites,the silicon to aluminium ratio(Si/Al)of zeolite framework can be directly calculated.Direct integration is the most simple method but some errors due to the overlapped silicon resonance are introduced.To solve this problem,a PCPFIT program running in a personal computer(PC)is reported.The adjustment of simulated Gaussian resonance to fit the determined spectrum can be accomplished in several minutes.The chemical shift and normalized intensity of simulated silicon resonance together with Si/Al ratio can be reported by using this program.As the spectrum file(.DXF)can be easily created with either a ZZNET/NMR 1/NMRU interface or a DGPSUMMA/ACAD table,the PCPFIT program can be used in NMR laboratory as a tool for quantitative solid state NMR analysis.
出处
《石油学报（石油加工）》
EI
CAS
CSCD
北大核心
1996年第3期100-106,共7页
Acta Petrolei Sinica(Petroleum Processing Section)
关键词
分子筛
硅铝比
模拟谱
固体核磁共振谱
zeolite, Si/Al, MAS 29 Si NMR, personal computer, simulation of solid state 29 Si NMR resonance
