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用于介孔系统建模的光谱逆量子(Spectral-IQ)方法:通过傅里叶变换红外光谱法应用于二氧化硅薄膜

Spectral inverse quantum (Spectral-IQ) method for modeling mesoporous systems: application on silica films by FTIR.

作者信息

Putz Ana-Maria, Putz Mihai V

机构信息

Institute of Chemistry Timisoara of the Romanian Academy, 24 Mihai Viteazul Bld, Timişoara, RO-300223, Romania.

出版信息

Int J Mol Sci. 2012 Nov 28;13(12):15925-41. doi: 10.3390/ijms131215925.

DOI:10.3390/ijms131215925
PMID:23443102
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3546670/
Abstract

The present work advances the inverse quantum (IQ) structural criterion for ordering and characterizing the porosity of the mesosystems based on the recently advanced ratio of the particle-to-wave nature of quantum objects within the extended Heisenberg uncertainty relationship through employing the quantum fluctuation, both for free and observed quantum scattering information, as computed upon spectral identification of the wave-numbers specific to the maximum of absorption intensity record, and to left-, right- and full-width at the half maximum (FWHM) of the concerned bands of a given compound. It furnishes the hierarchy for classifying the mesoporous systems from more particle-related (porous, tight or ionic bindings) to more wave behavior (free or covalent bindings). This so-called spectral inverse quantum (Spectral-IQ) particle-to-wave assignment was illustrated on spectral measurement of FT-IR (bonding) bands' assignment for samples synthesized within different basic environment and different thermal treatment on mesoporous materials obtained by sol-gel technique with n-dodecyl trimethyl ammonium bromide (DTAB) and cetyltrimethylammonium bromide (CTAB) and of their combination as cosolvents. The results were analyzed in the light of the so-called residual inverse quantum information, accounting for the free binding potency of analyzed samples at drying temperature, and were checked by cross-validation with thermal decomposition techniques by endo-exo thermo correlations at a higher temperature.

摘要

本研究基于扩展海森堡不确定性关系中量子物体的粒子与波性质的最新比率,通过利用量子涨落,推进了用于有序化和表征介观系统孔隙率的逆量子(IQ)结构准则,该量子涨落是针对自由和观测到的量子散射信息计算得出的,具体是根据对吸收强度记录最大值所特有的波数进行光谱识别,以及对给定化合物相关谱带的半高宽(FWHM)的左、右和全宽进行计算得出的。它提供了一种层次结构,用于将介孔系统从更多与粒子相关的(多孔、紧密或离子键合)分类到更多波行为的(自由或共价键合)。这种所谓的光谱逆量子(Spectral-IQ)粒子到波的分配在通过溶胶 - 凝胶技术用正十二烷基三甲基溴化铵(DTAB)和十六烷基三甲基溴化铵(CTAB)及其组合作为共溶剂制备的介孔材料上进行了FT - IR(键合)谱带分配的光谱测量,这些材料是在不同碱性环境和不同热处理条件下合成的样品。根据所谓的残余逆量子信息对结果进行了分析,该信息考虑了分析样品在干燥温度下的自由键合能力,并通过在更高温度下的内热 - 外热相关性的热分解技术进行交叉验证。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/9f47643c7cfd/ijms-13-15925f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/8b77c8599e54/ijms-13-15925f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/05ff930d45b5/ijms-13-15925f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/fb577e7d4790/ijms-13-15925f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/932a68eabdc7/ijms-13-15925f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/9f47643c7cfd/ijms-13-15925f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/8b77c8599e54/ijms-13-15925f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/05ff930d45b5/ijms-13-15925f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/fb577e7d4790/ijms-13-15925f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/932a68eabdc7/ijms-13-15925f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d6d2/3546670/9f47643c7cfd/ijms-13-15925f5.jpg

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