Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Hanxian Meng"'
Publikováno v:
AIP Advances, Vol 10, Iss 8, Pp 085004-085004-14 (2020)
The density functional theory method of B3LYP/6-311G(d) was used to study two catalytic degradation (acid-catalyzed and alkali-catalyzed) reaction mechanisms of polystyrene (PS). The geometric structure optimization and frequency calculations of all
Externí odkaz:
https://doaj.org/article/00c66fd0d17049fc97b9569df654773d
Autor:
Baosheng Lai, Jinbao Huang, Hong Wang, Hanxian Meng, Xiaosong Luo, Xin Mu, Li Jin, Xinsheng Li
Publikováno v:
Environmental Science and Pollution Research. 28:68817-68833
Tetrabromobisphenol A (TBBPA) is the most widely used brominated flame retardant. In order to better understand the decomposition process of TBBPA and clarify the evolution process of the main pyrolysis products, the density functional theory (DFT) m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fea34a3dab748d7aed79a711101a7b16
https://doi.org/10.1007/s11356-021-15426-9
https://doi.org/10.1007/s11356-021-15426-9
Publikováno v:
Chemosphere. 291:133112
The thermal degradation mechanisms of polyethylene terephthalate (PET) dimer were studied by the B3P86 density functional theory (DFT) approach at 6–31++G (d, p) base set in this paper. Seven possible reaction paths were designed and analyzed, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0646d93e88f39e8a807cd1a0808902c5
https://doi.org/10.1016/j.chemosphere.2021.133112
https://doi.org/10.1016/j.chemosphere.2021.133112
Publikováno v:
AIP Advances, Vol 10, Iss 8, Pp 085004-085004-14 (2020)
The density functional theory method of B3LYP/6-311G(d) was used to study two catalytic degradation (acid-catalyzed and alkali-catalyzed) reaction mechanisms of polystyrene (PS). The geometric structure optimization and frequency calculations of all
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21a20d217e7215753839a20ffa5ca822
https://doaj.org/article/00c66fd0d17049fc97b9569df654773d
https://doaj.org/article/00c66fd0d17049fc97b9569df654773d
Publikováno v:
Chemical Physics Letters. 747:137334
The pyrolysis reactions of styrene trimer as polystyrene (PS) model compound were researched through using density functional theory (DFT) method M06-2X with the 6-311G(d) basis set to clarify the evolution mechanisms of PS pyrolysis products. The ki
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5bc71816c50018308a73be187082df5
https://doi.org/10.1016/j.cplett.2020.137334
https://doi.org/10.1016/j.cplett.2020.137334
Publikováno v:
IOP Conference Series: Materials Science and Engineering. 729:012018
The bond dissociation energy (BDE) of syndiotactic polystyrene(s-PS) was calculated by using four density functional theory methods, which were M062X, B3LYP, B3P86, BH and HLYP with different LANL2DZ, 6-31G(d), 6-31G(d, p), and 6-311++G(d, p) basis s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8290b2a3a7e91d1fb6ca0acf7d1089dc
https://doi.org/10.1088/1757-899x/729/1/012018
https://doi.org/10.1088/1757-899x/729/1/012018
Autor:
Jiang, Xiaoyan1 (AUTHOR) bouncehan0509@163.com, Han, Yiming1 (AUTHOR) 15162000646@163.com, Li, Baojiang1 (AUTHOR) duxj@czust.edu.cn, Liu, Ji2 (AUTHOR) liujipower@126.com, Zhou, Guanzheng2 (AUTHOR) 19110306323@163.com, Du, Xiaojiao1 (AUTHOR), Wei, Shougang2 (AUTHOR) weishougang888@163.com, Meng, Hanxian2 (AUTHOR) hanxianmeng2021@126.com, Hu, Bin2 (AUTHOR) jiangxy@czust.edu.cn
Publikováno v:
Catalysts (2073-4344). Aug2024, Vol. 14 Issue 8, p537. 10p.
Publikováno v:
IOP Conference Series: Materials Science & Engineering; Feb2020, Vol. 729 Issue 1, p1-1, 1p
Autor:
Huang, Jinbao, Mu, Xin, Luo, Xiaosong, Meng, Hanxian, Wang, Hong, Jin, Li, Li, Xinsheng, Lai, Baosheng
Publikováno v:
Environmental Science & Pollution Research; Dec2021, Vol. 28 Issue 48, p68817-68833, 17p
Publikováno v:
AIP Advances; Aug2020, Vol. 10 Issue 8, p1-14, 14p