Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares
المؤلفون المشاركون
Ma, Junxiu
Qi, Juan
Gao, Xinyu
Yan, Chunhua
Zhang, Tianlong
Tang, Hongsheng
Li, Hua
المصدر
Journal of Analytical Methods in Chemistry
العدد
المجلد 2017، العدد 2017 (31 ديسمبر/كانون الأول 2017)، ص ص. 1-9، 9ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2017-03-12
دولة النشر
مصر
عدد الصفحات
9
التخصصات الرئيسية
الملخص EN
3,5-Diamino-1,2,4-triazole (DAT) became a significant energetic materials intermediate, and the study of its reaction mechanism has fundamental significance in chemistry.
The aim of this study is to investigate the ability of online attenuated total reflection infrared (ATR-IR) spectroscopy combined with the novel approach of hybrid hard- and soft-modelling multivariate curve resolution-alternating least squares (HS-MCR) analysis to monitor and detect changes in structural properties of compound during 3,5-diamino-1,2,4-triazole (DAT) synthesis processes.
The subspace comparison method (SCM) was used to obtain the principal components number, and then the pure IR spectra of each substance were obtained by independent component analysis (ICA) and HS-MCR.
The extent of rotation ambiguity was estimated from the band boundaries of feasible solutions calculated using the MCR-BANDS procedure.
There were five principal components including two intermediates in the process in the results.
The reaction rate constants of DAT formation reaction were also obtained by HS-MCR.
HS-MCR was used to analyze spectroscopy data in chemical synthesis process, which not only increase the information domain but also reduce the ambiguities of the obtained results.
This study provides the theoretical basis for the optimization of synthesis process and technology of energetic materials and provides a strong technical support of research and development of energy material with extraordinary damage effects.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Ma, Junxiu& Qi, Juan& Gao, Xinyu& Yan, Chunhua& Zhang, Tianlong& Tang, Hongsheng…[et al.]. 2017. Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares. Journal of Analytical Methods in Chemistry،Vol. 2017, no. 2017, pp.1-9.
https://search.emarefa.net/detail/BIM-1170210
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Ma, Junxiu…[et al.]. Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares. Journal of Analytical Methods in Chemistry No. 2017 (2017), pp.1-9.
https://search.emarefa.net/detail/BIM-1170210
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Ma, Junxiu& Qi, Juan& Gao, Xinyu& Yan, Chunhua& Zhang, Tianlong& Tang, Hongsheng…[et al.]. Study of Chemical Intermediates by Means of ATR-IR Spectroscopy and Hybrid Hard- and Soft-Modelling Multivariate Curve Resolution-Alternating Least Squares. Journal of Analytical Methods in Chemistry. 2017. Vol. 2017, no. 2017, pp.1-9.
https://search.emarefa.net/detail/BIM-1170210
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1170210
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر