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- W1992795087 abstract "Systematic periodic density functional calculations were conducted to clarify the mechanism for donors to exert steric and electronics influences on propylene polymerization using heterogeneous Ziegler–Natta catalysts. It was concluded that TiCl4 preferentially adsorbs as mononuclear species on the MgCl2 (1 1 0) surface, and the coadsorption of donors with it is energetically viable. The coadsorption of donors on the (1 1 0) surface reinforces the electron density of the Ti mononuclear species and sterically transfers the underlying C2 symmetry to convert the originally aspecific mononuclear species into isospecific one. The nearest coadsorption of ethylbenzoate (EB) not only sterically induces the isospecificity of the Ti mononuclear species but also electrostatically improves the regiospecificity in propylene insertion. In addition, EB prevents sterically demanding chain transfer to propylene, increasing the molecular weight of the produced polypropylene. Thus theoretically derived “coadsorption model” is highly consistent with a variety of experimentally known facts and believed to be useful for the ab initio prediction of new donor structures." @default.
- W1992795087 created "2016-06-24" @default.
- W1992795087 creator A5060094505 @default.
- W1992795087 creator A5086047381 @default.
- W1992795087 date "2012-09-01" @default.
- W1992795087 modified "2023-10-18" @default.
- W1992795087 title "Coadsorption model for first-principle description of roles of donors in heterogeneous Ziegler–Natta propylene polymerization" @default.
- W1992795087 cites W1010792290 @default.
- W1992795087 cites W1011031715 @default.
- W1992795087 cites W1484666439 @default.
- W1992795087 cites W1559238515 @default.
- W1992795087 cites W1560631557 @default.
- W1992795087 cites W1597454851 @default.
- W1992795087 cites W1963876808 @default.
- W1992795087 cites W1965752441 @default.
- W1992795087 cites W1966792574 @default.
- W1992795087 cites W1970469241 @default.
- W1992795087 cites W1977470456 @default.
- W1992795087 cites W1978490258 @default.
- W1992795087 cites W1979176099 @default.
- W1992795087 cites W1981368803 @default.
- W1992795087 cites W1981539865 @default.
- W1992795087 cites W1984706665 @default.
- W1992795087 cites W1985355992 @default.
- W1992795087 cites W1985583109 @default.
- W1992795087 cites W1988389565 @default.
- W1992795087 cites W1991516855 @default.
- W1992795087 cites W1993270908 @default.
- W1992795087 cites W1994213772 @default.
- W1992795087 cites W1999425190 @default.
- W1992795087 cites W1999685075 @default.
- W1992795087 cites W2002788226 @default.
- W1992795087 cites W2004690624 @default.
- W1992795087 cites W2007584606 @default.
- W1992795087 cites W2007811803 @default.
- W1992795087 cites W2008441157 @default.
- W1992795087 cites W2011141511 @default.
- W1992795087 cites W2011775791 @default.
- W1992795087 cites W2012474106 @default.
- W1992795087 cites W2012591289 @default.
- W1992795087 cites W2013083870 @default.
- W1992795087 cites W2021389295 @default.
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- W1992795087 cites W2022429842 @default.
- W1992795087 cites W2023271753 @default.
- W1992795087 cites W2023599681 @default.
- W1992795087 cites W2023679860 @default.
- W1992795087 cites W2025740208 @default.
- W1992795087 cites W2028602080 @default.
- W1992795087 cites W2029409366 @default.
- W1992795087 cites W2034235233 @default.
- W1992795087 cites W2034329598 @default.
- W1992795087 cites W2036037060 @default.
- W1992795087 cites W2039450143 @default.
- W1992795087 cites W2043327592 @default.
- W1992795087 cites W2049079467 @default.
- W1992795087 cites W2051995120 @default.
- W1992795087 cites W2052635363 @default.
- W1992795087 cites W2058141015 @default.
- W1992795087 cites W2058604253 @default.
- W1992795087 cites W2068054822 @default.
- W1992795087 cites W2070696959 @default.
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- W1992795087 cites W2071772034 @default.
- W1992795087 cites W2076471799 @default.
- W1992795087 cites W2076538223 @default.
- W1992795087 cites W2077703017 @default.
- W1992795087 cites W2078908408 @default.
- W1992795087 cites W2082867876 @default.
- W1992795087 cites W2084679464 @default.
- W1992795087 cites W2094077535 @default.
- W1992795087 cites W2094783956 @default.
- W1992795087 cites W2106195248 @default.
- W1992795087 cites W2111046462 @default.
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- W1992795087 cites W2135887182 @default.
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- W1992795087 cites W2153375279 @default.
- W1992795087 cites W2165007825 @default.
- W1992795087 cites W2326185588 @default.
- W1992795087 cites W2569525354 @default.
- W1992795087 cites W2914260838 @default.
- W1992795087 cites W3099415224 @default.
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- W1992795087 doi "https://doi.org/10.1016/j.jcat.2012.06.001" @default.
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