Matches in SemOpenAlex for { <https://semopenalex.org/work/W2003166476> ?p ?o ?g. }
- W2003166476 endingPage "1142" @default.
- W2003166476 startingPage "1133" @default.
- W2003166476 abstract "Carbonaceous layers on mineral surfaces are often graphite-like and are depressed in flotation separation by soluble inorganic salts of naphthalene. The adsorption of sulfonated and unsulfonated aromatic molecules onto a flat graphite surface has been studied using semi-empirical quantum mechanical molecular modelling techniques. Comparison with ab initio calculations has justified this computational choice. No bonding between the surfactant and the surface is observed. Molecules reorient upon geometry optimisation, favouring an arrangement with the aromatic rings parallel to the graphite surface. The inclusion of solvent effects (via a dielectric continuum model) increases the inclination of the aromatic sulfonates relative to the graphite surface, due to interactions between the hydrophilic sulfonate group and the aqueous solution. Of the aromatic sulfonates examined, the one exception to the generalisation that molecules adsorb flat was naphthalene sulfonate, which preferred to orient vertically with the sulfonate group upwards when solvent effects are included. This is in agreement with previous experimental results." @default.
- W2003166476 created "2016-06-24" @default.
- W2003166476 creator A5005298421 @default.
- W2003166476 creator A5033296295 @default.
- W2003166476 creator A5046169189 @default.
- W2003166476 date "1999-01-01" @default.
- W2003166476 modified "2023-09-27" @default.
- W2003166476 title "Molecular modelling of the adsorption of aromatic and aromatic sulfonate molecules from aqueous solutions onto graphite" @default.
- W2003166476 cites W1662975102 @default.
- W2003166476 cites W1971275758 @default.
- W2003166476 cites W1975708211 @default.
- W2003166476 cites W1976499671 @default.
- W2003166476 cites W1988789838 @default.
- W2003166476 cites W1990681579 @default.
- W2003166476 cites W1993013485 @default.
- W2003166476 cites W1998677005 @default.
- W2003166476 cites W2007482394 @default.
- W2003166476 cites W2025778982 @default.
- W2003166476 cites W2047241264 @default.
- W2003166476 cites W2055020107 @default.
- W2003166476 cites W2058099725 @default.
- W2003166476 cites W2063438318 @default.
- W2003166476 cites W2071467721 @default.
- W2003166476 cites W2077973224 @default.
- W2003166476 cites W2079473982 @default.
- W2003166476 cites W2098234939 @default.
- W2003166476 cites W2122199548 @default.
- W2003166476 cites W2167237864 @default.
- W2003166476 cites W2951211424 @default.
- W2003166476 cites W2952902024 @default.
- W2003166476 cites W3004465863 @default.
- W2003166476 doi "https://doi.org/10.1016/s0008-6223(98)00305-4" @default.
- W2003166476 hasPublicationYear "1999" @default.
- W2003166476 type Work @default.
- W2003166476 sameAs 2003166476 @default.
- W2003166476 citedByCount "12" @default.
- W2003166476 countsByYear W20031664762016 @default.
- W2003166476 countsByYear W20031664762019 @default.
- W2003166476 countsByYear W20031664762021 @default.
- W2003166476 crossrefType "journal-article" @default.
- W2003166476 hasAuthorship W2003166476A5005298421 @default.
- W2003166476 hasAuthorship W2003166476A5033296295 @default.
- W2003166476 hasAuthorship W2003166476A5046169189 @default.
- W2003166476 hasConcept C127413603 @default.
- W2003166476 hasConcept C150394285 @default.
- W2003166476 hasConcept C178790620 @default.
- W2003166476 hasConcept C179104552 @default.
- W2003166476 hasConcept C184651966 @default.
- W2003166476 hasConcept C185592680 @default.
- W2003166476 hasConcept C188027245 @default.
- W2003166476 hasConcept C192386470 @default.
- W2003166476 hasConcept C192562407 @default.
- W2003166476 hasConcept C2778894819 @default.
- W2003166476 hasConcept C2779255514 @default.
- W2003166476 hasConcept C2779698641 @default.
- W2003166476 hasConcept C2780471494 @default.
- W2003166476 hasConcept C2781442258 @default.
- W2003166476 hasConcept C32909587 @default.
- W2003166476 hasConcept C42360764 @default.
- W2003166476 hasConcept C537181965 @default.
- W2003166476 hasConcept C55493867 @default.
- W2003166476 hasConcept C58226133 @default.
- W2003166476 hasConceptScore W2003166476C127413603 @default.
- W2003166476 hasConceptScore W2003166476C150394285 @default.
- W2003166476 hasConceptScore W2003166476C178790620 @default.
- W2003166476 hasConceptScore W2003166476C179104552 @default.
- W2003166476 hasConceptScore W2003166476C184651966 @default.
- W2003166476 hasConceptScore W2003166476C185592680 @default.
- W2003166476 hasConceptScore W2003166476C188027245 @default.
- W2003166476 hasConceptScore W2003166476C192386470 @default.
- W2003166476 hasConceptScore W2003166476C192562407 @default.
- W2003166476 hasConceptScore W2003166476C2778894819 @default.
- W2003166476 hasConceptScore W2003166476C2779255514 @default.
- W2003166476 hasConceptScore W2003166476C2779698641 @default.
- W2003166476 hasConceptScore W2003166476C2780471494 @default.
- W2003166476 hasConceptScore W2003166476C2781442258 @default.
- W2003166476 hasConceptScore W2003166476C32909587 @default.
- W2003166476 hasConceptScore W2003166476C42360764 @default.
- W2003166476 hasConceptScore W2003166476C537181965 @default.
- W2003166476 hasConceptScore W2003166476C55493867 @default.
- W2003166476 hasConceptScore W2003166476C58226133 @default.
- W2003166476 hasIssue "7" @default.
- W2003166476 hasLocation W20031664761 @default.
- W2003166476 hasOpenAccess W2003166476 @default.
- W2003166476 hasPrimaryLocation W20031664761 @default.
- W2003166476 hasRelatedWork W2016477255 @default.
- W2003166476 hasRelatedWork W2029041425 @default.
- W2003166476 hasRelatedWork W2031888979 @default.
- W2003166476 hasRelatedWork W2032902557 @default.
- W2003166476 hasRelatedWork W2169915603 @default.
- W2003166476 hasRelatedWork W2375295021 @default.
- W2003166476 hasRelatedWork W2376226790 @default.
- W2003166476 hasRelatedWork W2376322047 @default.
- W2003166476 hasRelatedWork W2609807751 @default.
- W2003166476 hasRelatedWork W4383226976 @default.
- W2003166476 hasVolume "37" @default.
- W2003166476 isParatext "false" @default.
- W2003166476 isRetracted "false" @default.