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国际多尺度计算工程期刊

每年出版 6 

ISSN 打印: 1543-1649

ISSN 在线: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

Quantum Mechanical Simulations and Experimental Evaluations of the Catalysis Reaction of the Reactions of Epoxy Resins with 1-Imidazole and 1-Dimethylbenzylamine

卷 7, 册 5, 2009, pp. 409-417
DOI: 10.1615/IntJMultCompEng.v7.i5.30
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摘要

In this article, the rate of epoxy curing with two different accelerators, i.e., 1-imidazole (MI) and 1-dimethylbenzylamine (DMBA), is experimentally investigated. It has been found that the rate of MI-cured epoxy is higher than that of its DMBA-cured counterpart. Moreover, it has been observed that the Tg of MI-cured epoxy was higher than that of DMBA-cured epoxy. To understand this phenomenon, a quantum mechanical density functional theory code (DMol3) was used to simulate the epoxy reaction using these accelerator molecules to study their effectiveness. This was carried out by analyzing the heights of energy barriers of different polymeric reaction steps and studying the geometry of transition states. From the simulations, it was established that the DMBA epoxy is slower because of its geometric steric hindrance and higher energy of the barrier at the initiation, propagation, and termination steps.

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