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1.
XU Jun YAN Ai-Zhen XU Qin-Hua Department of Chemistry Nanjing University Nanjing Jiangsu China 《中国化学》1995,(2)
The strength of basic sites has been measured by pyrrole-IR on alkali metal cation exchanged β and X zeolites, as well as NaOH loaded Naβ. The influence of cation type and the structure of zeolites on their basicity has been studied. The acidic and basic properties of the samples were investigated by NH3-TPD and isopropanol reaction. It was shown that the strength of basic sites on samples could be characterized by the shift of vNH band in the pyrrole-IR spectra. The framework oxygen charges were calculated from the Sanderson electronegativity. The changes in basic properties with various alkali metal cation are consistent with the changes of local oxygen charges of the zeolite framework. 相似文献
2.
Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of 1H{27Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A 27Al offset-dependent data set yields for each resolved 1H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring 27Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the 1H–27Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of 27Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them. 相似文献
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在H-ZSM-5沸石上甲醇转化为汽油的初始产物分布姜玄珍(浙江大学化学系,杭州310027)R.F.Howe(新南威尔士大学物理化学系,澳大利亚)关键词H-ZSM-5沸石,甲醇转化汽油,产物分布以氢型ZSM-5沸石作催化剂转化甲醇为汽油(MTG),在... 相似文献
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A. V. Larin D. N. Trubnikov D. P. Vercauteren 《International journal of quantum chemistry》2003,92(1):71-84
Three hydrated aluminosilicate frameworks—LiABW, NaNAT, and BaEDI—are partly optimized with the periodic Hartree–Fock CRYSTAL95 code. In particular, we optimized the positions of the adsorbed water molecules including the positions of the framework cations (ABW, NAT) or part of the framework atomic positions (ABW). This allowed us to compare cation–water clusters in the gas and adsorbed states and discuss the influence of hydrogen bonding to the framework oxygen atoms or to the neighbor water molecules on the atomic properties (quadrupole coupling constant, anisotropy of electric field gradient) of the adsorbed water molecules. The LiBIK structure obtained from X‐ray diffraction is also considered to illustrate the hydrogen bonds occurring between adsorbed water molecules. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 相似文献
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在考虑了沸石分子筛中吸附、脱附、扩散和反应的特点的基础上,发展了一种模拟沸石分子筛中扩菜反应的MonteCarlo方法。用Langmuir吸附等温式验证了该方法的合理性,并证明了轰击频率λ代表了反应物气相压力,而吸附、脱附几率之比即为吸附平衡常数。同时,通过改变轰击频率λ和反应几率Pt,得到了吸附等温线和有效因子随Thiele模数变化的曲线。 相似文献
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Experiments have been carried out to study the behaviour of organoarsenicals treated with zeolites by means of speciation
analysis. IC-ICP-MS was applied to identify and quantify arsenite, arsenate and the following organoarsenicals: monomethylarsonic
acid (MMA), dimethylarsinic acid (DMA), trimethylarsine oxide (TMAO), tetramethylarsonium bromide (TMA+), arsenobetaine (AsB) and arsenocholine (AsC). Zeolites loaded with ferrous ions did not significantly increase the retention
of inorganic arsenic species compared to the native zeolites, while there was a ten-fold removal of arsenate relating to arsenite.
The formation of As(V) and DMA in the leachates containing clinoptilolites and mordenites was confirmed in the presence of
natural and synthetic zeolites. Arsenobetaine and arsenocholine yielded higher levels of arsenate than the methylated species. 相似文献