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Journal of the American Chemical Society

Volumn 133, Issue 8, 2011, Pages 2481-2491

Computational study of the effect of confinement within microporous structures on the activity and selectivity of metallocene catalysts for ethylene oligomerization

(3) Toulhoat, Hervé a Lontsi Fomena, Mireille a De Bruin, Theodorus a

a IFP ENERGIES NOUVELLES (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENTHALPIES; ADSORPTION FREE ENERGY; COMPENSATION TEMPERATURE; COMPUTATIONAL STUDIES; DIFFERENT PORE SIZES; ENTHALPIC INTERACTIONS; ETHYLENE OLIGOMERIZATIONS; FAUJASITES; GRAND CANONICAL MONTE CARLO SIMULATION; HOMOGENEOUS PHASE; IN-LINE; LINEAR CORRELATION; METALLOCENE CATALYST; MICRO-POROUS STRUCTURE; MICROKINETIC MODELS; MICROPOROUS; MOLECULAR VOLUME; OPERATING TEMPERATURE; REACTION CATALYZED; SOLID HOST; SORBATES; STERIC EXCLUSION; TRANSITION STATE; TRIMERIZATION; ZEOLITIC STRUCTURE;

ADSORPTION; CATALYST ACTIVITY; COMPUTER SIMULATION; ENTHALPY; ENTROPY; ETHYLENE; FORECASTING; MICROPOROSITY; MONTE CARLO METHODS; OLIGOMERIZATION; OLIGOMERS; ORGANOMETALLICS; PORE SIZE; REACTION INTERMEDIATES;

CATALYST SELECTIVITY;

AIPO 8; ALKENE DERIVATIVE; ALPHA HEXENE; ALPHA OCTENE; ETHYLENE; FAUJASITE; MAZZITE; METAL DERIVATIVE; METAL ORGANIC FRAMEWORK; METALLOCENE; SORBIC ACID; TITANIUM; TITANIUM TETRACHLORIDE; UNCLASSIFIED DRUG; UTD 1F; VPI 5; ZEOLITE;

ADSORPTION; ARTICLE; CATALYSIS; CATALYST; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; ENTHALPY; ENTROPY; GRAND CANONICAL MONTE CARLO SIMULATION; KINETICS; MOLECULAR MODEL; MOLECULAR STABILITY; MONTE CARLO METHOD; OLIGOMERIZATION; PARTICLE SIZE; PHASE TRANSITION; POROSITY; STEREOCHEMISTRY; TEMPERATURE; TRIMERIZATION;

CATALYSIS; ETHYLENES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MONTE CARLO METHOD; ORGANOMETALLIC COMPOUNDS; POROSITY; SURFACE PROPERTIES; THERMODYNAMICS; TITANIUM;

EID: 79952271571 PISSN: 00027863 EISSN: 15205126 Source Type: Journal
DOI: 10.1021/ja105950z Document Type: Article

Times cited : (25)

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