FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077930162> ?p ?o ?g. }

• W2077930162 endingPage "3194" @default.
• W2077930162 startingPage "3178" @default.
• W2077930162 abstract "The effects of reactant aggregation and lateral interactions on bimolecular surface reactions A+B→AB are studied using a theoretical model combining Monte Carlo simulations with (modified) lattice gas approximations, with special reference to temperature programmed reactions. A and B are chemisorbed species yielding a rapidly desorbing product AB. We are particularly interested in systems where one reactant (A) tends to organize in ordered domains, as a result of strong A–A attractive forces. Our modeling scheme consists of two stages. First, A is randomly adsorbed at a temperature lower than the critical temperature of the gas–solid transition, and phase separation (i.e., A aggregation) starts taking place. This process is modeled by (conserved) Monte Carlo dynamics. As in previous studies, we find that after a while the A atoms form finite, metastable, often highly ramified islands, whose further growth is a very slow process. At this stage, or earlier, B is adsorbed on the A‐free lattice sites, T is raised (linearly) and reaction begins. It is assumed that A is stationary while B is highly mobile and that B diffusion is much faster than A+B reaction. Thus, the distribution of B on A‐free sites is always in equilibrium, but it depends on A–B and B–B interactions, as well as on coverage, temperature, and, in particular, the given distribution of A atoms. To calculate the B distribution we formulate and employ two lattice gas models, which are appropriately modified versions of the mean‐field and the quasichemical approximations. To follow the time‐space evolution of the system we use Monte Carlo methods to simulate the slow processes, A aggregation and AB formation, and (one of the) lattice gas models for B distribution. Calculations of thermal desorption spectra are performed for A and B adsorbed on a 500×500 square lattice (with periodic boundary conditions) assuming nearest‐neighborlateral interactions wAA, wBB, and wAB. The results reveal nontrivial kinetic behaviors, which depend strongly on initial conditions (coverages, dosing sequence) and interaction parameters. These are reflected in the temperature programmed spectra and the apparent (coverage dependent) activation energies derived from them. It is shown, for example, that the major effect of A–B interactions on the rate is via their influence on local concentration of B’s near A’s. B–B interactions affect directly the reaction activation barrier. A–A interactions show both ‘‘topological’’ and ‘‘energetic’’ effects." @default.
• W2077930162 created "2016-06-24" @default.
• W2077930162 creator A5000200471 @default.
• W2077930162 creator A5067215274 @default.
• W2077930162 date "1987-09-01" @default.
• W2077930162 modified "2023-10-18" @default.
• W2077930162 title "Adsorbate islanding in surface reactions: A combined Monte Carlo‐lattice gas approach" @default.
• W2077930162 cites W1978228765 @default.
• W2077930162 cites W1982112722 @default.
• W2077930162 cites W1994306480 @default.
• W2077930162 cites W1997430731 @default.
• W2077930162 cites W2006823590 @default.
• W2077930162 cites W2008612885 @default.
• W2077930162 cites W2015485805 @default.
• W2077930162 cites W2020158312 @default.
• W2077930162 cites W2022219662 @default.
• W2077930162 cites W2022803041 @default.
• W2077930162 cites W2028704041 @default.
• W2077930162 cites W2032618543 @default.
• W2077930162 cites W2038249582 @default.
• W2077930162 cites W2054699181 @default.
• W2077930162 cites W2066683734 @default.
• W2077930162 cites W2072584446 @default.
• W2077930162 cites W2072931187 @default.
• W2077930162 cites W2081089391 @default.
• W2077930162 cites W2092096380 @default.
• W2077930162 cites W2093826356 @default.
• W2077930162 cites W2129440303 @default.
• W2077930162 cites W2136223894 @default.
• W2077930162 cites W4230044753 @default.
• W2077930162 cites W4230471246 @default.
• W2077930162 cites W4231473723 @default.
• W2077930162 doi "https://doi.org/10.1063/1.453005" @default.
• W2077930162 hasPublicationYear "1987" @default.
• W2077930162 type Work @default.
• W2077930162 sameAs 2077930162 @default.
• W2077930162 citedByCount "106" @default.
• W2077930162 countsByYear W20779301622013 @default.
• W2077930162 countsByYear W20779301622015 @default.
• W2077930162 countsByYear W20779301622017 @default.
• W2077930162 countsByYear W20779301622020 @default.
• W2077930162 countsByYear W20779301622021 @default.
• W2077930162 countsByYear W20779301622022 @default.
• W2077930162 crossrefType "journal-article" @default.
• W2077930162 hasAuthorship W2077930162A5000200471 @default.
• W2077930162 hasAuthorship W2077930162A5067215274 @default.
• W2077930162 hasConcept C105795698 @default.
• W2077930162 hasConcept C121332964 @default.
• W2077930162 hasConcept C121864883 @default.
• W2077930162 hasConcept C147789679 @default.
• W2077930162 hasConcept C150394285 @default.
• W2077930162 hasConcept C159467904 @default.
• W2077930162 hasConcept C163258240 @default.
• W2077930162 hasConcept C178790620 @default.
• W2077930162 hasConcept C185592680 @default.
• W2077930162 hasConcept C19499675 @default.
• W2077930162 hasConcept C24890656 @default.
• W2077930162 hasConcept C2778675665 @default.
• W2077930162 hasConcept C2781204021 @default.
• W2077930162 hasConcept C33923547 @default.
• W2077930162 hasConcept C544738498 @default.
• W2077930162 hasConcept C89464430 @default.
• W2077930162 hasConcept C97355855 @default.
• W2077930162 hasConceptScore W2077930162C105795698 @default.
• W2077930162 hasConceptScore W2077930162C121332964 @default.
• W2077930162 hasConceptScore W2077930162C121864883 @default.
• W2077930162 hasConceptScore W2077930162C147789679 @default.
• W2077930162 hasConceptScore W2077930162C150394285 @default.
• W2077930162 hasConceptScore W2077930162C159467904 @default.
• W2077930162 hasConceptScore W2077930162C163258240 @default.
• W2077930162 hasConceptScore W2077930162C178790620 @default.
• W2077930162 hasConceptScore W2077930162C185592680 @default.
• W2077930162 hasConceptScore W2077930162C19499675 @default.
• W2077930162 hasConceptScore W2077930162C24890656 @default.
• W2077930162 hasConceptScore W2077930162C2778675665 @default.
• W2077930162 hasConceptScore W2077930162C2781204021 @default.
• W2077930162 hasConceptScore W2077930162C33923547 @default.
• W2077930162 hasConceptScore W2077930162C544738498 @default.
• W2077930162 hasConceptScore W2077930162C89464430 @default.
• W2077930162 hasConceptScore W2077930162C97355855 @default.
• W2077930162 hasIssue "5" @default.
• W2077930162 hasLocation W20779301621 @default.
• W2077930162 hasOpenAccess W2077930162 @default.
• W2077930162 hasPrimaryLocation W20779301621 @default.
• W2077930162 hasRelatedWork W1842821908 @default.
• W2077930162 hasRelatedWork W1973359277 @default.
• W2077930162 hasRelatedWork W1979989913 @default.
• W2077930162 hasRelatedWork W1986820056 @default.
• W2077930162 hasRelatedWork W2009568568 @default.
• W2077930162 hasRelatedWork W2020963820 @default.
• W2077930162 hasRelatedWork W2043050559 @default.
• W2077930162 hasRelatedWork W2115651253 @default.
• W2077930162 hasRelatedWork W2128950072 @default.
• W2077930162 hasRelatedWork W2377969659 @default.
• W2077930162 hasVolume "87" @default.
• W2077930162 isParatext "false" @default.
• W2077930162 isRetracted "false" @default.
• W2077930162 magId "2077930162" @default.

• next