Nature of Phthalates as Internal Donors in High Performance MgCl2 Supported Titanium Catalysts

Abstract

High performance MgCl 2 supported titanium catalyst having diisobutyl phthalate (DIBP) as internal donor has been synthesized. The organic components present in the catalyst have been studied through FTIR, 1D and 2D NMR spectroscopy. The results indicate presence of diethyl phthalate also in addition to DIBP. WAXD analysis has been done to study the features of MgCl 2 crystallites. Impact of donor components on the catalyst preparation leading to reaction pathways and performance for propylene polymerization has been evaluated.

Mechanism of internal and external electron donor effects on propylene polymerization with MgCl2‐supported Ziegler–Natta catalyst: New evidences based on active center counting

“…Since the discovery of TiCl 4 /Di/MgCl 2 –AlR 3 /De type propylene polymerization catalysts, great efforts have been paid to mechanistic studies on electron donor effects . The main role of Di has been proposed as to influence the support structure and control the amount and spacial distribution of TiCl 4 adsorbed on the surface of MgCl 2 crystallites . When TiCl 4 /Di/MgCl 2 type catalysts were treated with an AlR 3 /De mixture, most of Di molecules in the catalyst were found to be quickly replaced by De, implying that the De plays more important roles in the polymerization system .…”

A quasi-SMILES based QSPR Approach towards the prediction of adsorption energy of Ziegler − Natta catalysts for propylene polymerization

“…The earlier study shows that the internal electron donors are better than the external donors [2]. Internal electron donors are bonded directly to the MgCl 2 support and activate the site formation whereas the external electron donor could selectively poisons these sites [3][4][5][6][7]. The development of new electron donors is a challenging task and crucial of course for the scientists in designing advanced polypropylene catalysts.…”

“…QSPR model-1 for random split-1 by BC method Eads= 13.265 (± 0.318) + 2.087 (± 0.098) * DCW(3,15) (3) n=10, r 2 = 0.801, Q 2 = 0.723, s= 3.07, MAE= 2.62 and f= 32 (sub-training set) n=5, r 2 = 0.908, Q 2 = 0.773, s= 5 23,. MAE= 4.10 and f= 30 (calibration set) = 0.882, Q 2 = 0.727, s= 5.01, MAE= 3.90 and f=22 (calibration set) n=6, r 2 = 0.851, Q 2 = 0.437, s=2.81, MAE=1.87.72 and f= 23 (validation set) n=8, r 2 = 0.861, Q 2 = 0.838, s= 2.63, MAE= 1.61, (invisible validation set) QSPR model-3 for random split-1 by CS method = 0.918, Q 2 = 0.895, s= 1.90, MAE= 1.24 and f= 147 (sub-training set) n=6, r 2 = 0.869, Q 2 = 0.506, s=7.85, MAE= 6.69 and f= 27 (validation set) n=8, r 2 = 0.836, Q 2 = 0.806, s= 4.74, MAE= 3.74 (invisible validation set) QSPR model-4 for random split-2 by BC method = 0.999, Q 2 = 0.998, s= 0.168, MAE= 0.74 and f= 8843 (sub-training set) n=5, r 2 = 0.998, Q 2 = 0.995, s= 6.95, MAE= 6.15 and f= 4051 (calibration set) n=6, r 2 = 0.926, Q 2 = 0.834, s=5.63, MAE= 4.24 and f= 51 (validation set) n=8, r 2 = 0.876, Q 2 = 0.863, s= 5.15, MAE= 4.03 (invisible validation set) QSPR model-5 for random split-2 by BCIS method = 0.690, Q 2 = 0.625, s= 3.15, MAE= 2.46 and f= 29 (sub-training set) = 0.970, Q 2 = 0.946, s= 0.…”

Ziegler–Natta catalysts supported on crystalline and amorphous MgCl2/THF complexes

“…"activated" form or ı-form [10][11][12][13][14][15], but crystalline MgCl 2 can also be used as a support. An example of molecular compounds that are used as supports are MgCl 2 -ethanol adducts, but other alcohols can also be used.…”