FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4226137314> ?p ?o ?g. }

• W4226137314 endingPage "5128" @default.
• W4226137314 startingPage "5117" @default.
• W4226137314 abstract "Mechanistic modeling is a cornerstone of catalyst development generally conducted with microkinetic models or density functional theory-based energy profiles. We extend the energy span model of homogeneous catalysis to heterogeneous systems by introducing the modified energy span analysis (MESA) model by implementing collision theory and gas-phase concentration effects. We determine analytically turnover frequencies, coverages, rate-determining steps, apparent activation energies, and reaction orders in agreement with microkinetic and kinetic Monte Carlo simulations. The model applies to discrete catalyst state systems, including single-atom catalysts, homogeneous systems, and microporous materials. A generalizable rate expression is derived for reactor modeling or mechanistic insights from solely experimentally measured reaction orders. We illustrate MESA on three published mechanisms and reveal unexpected phenomena absent in traditional energy span profiles." @default.
• W4226137314 created "2022-05-05" @default.
• W4226137314 creator A5025739186 @default.
• W4226137314 creator A5066110304 @default.
• W4226137314 date "2022-04-05" @default.
• W4226137314 modified "2023-10-16" @default.
• W4226137314 title "Modified Energy Span Analysis Reveals Heterogeneous Catalytic Kinetics" @default.
• W4226137314 cites W1506526940 @default.
• W4226137314 cites W1968918254 @default.
• W4226137314 cites W1972291235 @default.
• W4226137314 cites W1997551594 @default.
• W4226137314 cites W2010847418 @default.
• W4226137314 cites W2033774898 @default.
• W4226137314 cites W2044929491 @default.
• W4226137314 cites W2129565915 @default.
• W4226137314 cites W2321163361 @default.
• W4226137314 cites W2332404794 @default.
• W4226137314 cites W2415330728 @default.
• W4226137314 cites W2518156262 @default.
• W4226137314 cites W2593663142 @default.
• W4226137314 cites W2772739140 @default.
• W4226137314 cites W2783550168 @default.
• W4226137314 cites W2790792984 @default.
• W4226137314 cites W2793178391 @default.
• W4226137314 cites W2797231099 @default.
• W4226137314 cites W2799658059 @default.
• W4226137314 cites W2800896278 @default.
• W4226137314 cites W2885309470 @default.
• W4226137314 cites W2894727929 @default.
• W4226137314 cites W2898354833 @default.
• W4226137314 cites W2901269490 @default.
• W4226137314 cites W2915565722 @default.
• W4226137314 cites W2932332855 @default.
• W4226137314 cites W2941976827 @default.
• W4226137314 cites W2946637007 @default.
• W4226137314 cites W2949602431 @default.
• W4226137314 cites W2967701456 @default.
• W4226137314 cites W2970776818 @default.
• W4226137314 cites W2977591485 @default.
• W4226137314 cites W2978833964 @default.
• W4226137314 cites W2981582306 @default.
• W4226137314 cites W2985990369 @default.
• W4226137314 cites W2991038413 @default.
• W4226137314 cites W3000615937 @default.
• W4226137314 cites W3007080567 @default.
• W4226137314 cites W3012688010 @default.
• W4226137314 cites W3012718280 @default.
• W4226137314 cites W3021828446 @default.
• W4226137314 cites W3029874612 @default.
• W4226137314 cites W3043427262 @default.
• W4226137314 cites W3093066640 @default.
• W4226137314 cites W3124949317 @default.
• W4226137314 cites W3130055638 @default.
• W4226137314 cites W3184345861 @default.
• W4226137314 cites W3186752641 @default.
• W4226137314 cites W4205746491 @default.
• W4226137314 cites W4251404894 @default.
• W4226137314 doi "https://doi.org/10.1021/acs.iecr.2c00390" @default.
• W4226137314 hasPublicationYear "2022" @default.
• W4226137314 type Work @default.
• W4226137314 citedByCount "3" @default.
• W4226137314 countsByYear W42261373142022 @default.
• W4226137314 countsByYear W42261373142023 @default.
• W4226137314 crossrefType "journal-article" @default.
• W4226137314 hasAuthorship W4226137314A5025739186 @default.
• W4226137314 hasAuthorship W4226137314A5066110304 @default.
• W4226137314 hasConcept C105795698 @default.
• W4226137314 hasConcept C121332964 @default.
• W4226137314 hasConcept C121864883 @default.
• W4226137314 hasConcept C135889238 @default.
• W4226137314 hasConcept C147597530 @default.
• W4226137314 hasConcept C147789679 @default.
• W4226137314 hasConcept C152365726 @default.
• W4226137314 hasConcept C159467904 @default.
• W4226137314 hasConcept C161790260 @default.
• W4226137314 hasConcept C175113610 @default.
• W4226137314 hasConcept C175583648 @default.
• W4226137314 hasConcept C178790620 @default.
• W4226137314 hasConcept C185592680 @default.
• W4226137314 hasConcept C19499675 @default.
• W4226137314 hasConcept C33923547 @default.
• W4226137314 hasConcept C45786274 @default.
• W4226137314 hasConcept C55493867 @default.
• W4226137314 hasConcept C62520636 @default.
• W4226137314 hasConcept C66882249 @default.
• W4226137314 hasConcept C86381522 @default.
• W4226137314 hasConcept C95121573 @default.
• W4226137314 hasConcept C97355855 @default.
• W4226137314 hasConceptScore W4226137314C105795698 @default.
• W4226137314 hasConceptScore W4226137314C121332964 @default.
• W4226137314 hasConceptScore W4226137314C121864883 @default.
• W4226137314 hasConceptScore W4226137314C135889238 @default.
• W4226137314 hasConceptScore W4226137314C147597530 @default.
• W4226137314 hasConceptScore W4226137314C147789679 @default.
• W4226137314 hasConceptScore W4226137314C152365726 @default.
• W4226137314 hasConceptScore W4226137314C159467904 @default.
• W4226137314 hasConceptScore W4226137314C161790260 @default.
• W4226137314 hasConceptScore W4226137314C175113610 @default.

• next