The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Jan. 02, 2024
Filed:
Aug. 16, 2021
Chevron Phillips Chemical Company Lp, The Woodlands, TX (US);
Steven M. Bischof, Humble, TX (US);
Qing Yang, Bartlesville, OK (US);
Orson L. Sydora, Sugar Land, TX (US);
Graham R. Lief, Bartlesville, OK (US);
Richard M Buck, Bartlesville, OK (US);
Daniel H. Ess, Provo, UT (US);
Steven M. Maley, Orem, UT (US);
Chevron Phillips Chemical Company LP, The Woodlands, TX (US);
Abstract
This disclosure provides new methods for the design and development of ethylene polymerization catalysts, including Group 4 metallocene catalysts such as zirconocenes, which are based on an improved ability to adjust co-monomer incorporation into the polymer. Computational analyses with and without dispersion corrections revealed that designing catalyst scaffolds which induce stabilizing non-covalent dispersion type interactions with incoming α-olefin co-monomers can be used to modulate co-monomer selectivity into the polyethylene chain. Demonstrated herein is a lack of correlation of computed ΔΔGvalues against experimental ΔΔGvalues when the dispersion correction (D3BJ) was disabled, and B3LYP was used in the absence of Grimme's D3 dispersion and Becke-Johnson (BJ) dampening, but a correlation of computed against experimental ΔΔGwith B3LYP+D3BJ, which are used to design new catalyst scaffolds.