WFRF:(Rasmuson Åke)
Sökning: WFRF:(Rasmuson Åke) > (2000-2004) > Influence of additi...
- 10 av 24
- Föregående post
- Nästa post
- Till träfflistan
- Pino-Garcia, OsvaldoKTH,Kemiteknik (författare)
Influence of additives on nucleation of vanillin : Experiments and introductory molecular simulations
- Artikel/kapitelEngelska2004
Förlag, utgivningsår, omfång ...
- 2004-08-17
- American Chemical Society (ACS),2004
- printrdacarrier
Nummerbeteckningar
- LIBRIS-ID:oai:DiVA.org:kth-23704
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-23704URI
- https://doi.org/10.1021/cg049955+DOI
Kompletterande språkuppgifter
- Språk:engelska
- Sammanfattning på:engelska
Ingår i deldatabas
- SwePubSwePub
Klassifikation
Anmärkningar
- QC 20100525 QC 20110923
- Nucleation of vanillin (VAN) in 2-propanol/water in the presence of additives, viz., acetovanillone (AVA), ethyl vanillin (EVA), guaiacol (GUA), guaethol (GUE), 4-hydroxyacetophenone (HAP), 4-hydroxybenzaldehyde (HBA), and vanillic acid (VAC) is investigated experimentally and by molecular simulations. In the experimental work, the induction time for nucleation is measured at different temperatures and levels of supersaturation using a multicell apparatus. A large variation in the experimental data is observed, and this variation is analyzed by statistical methods. By classical nucleation theory, the induction time data are used to estimate the solid-liquid interfacial energy of vanillin for each VAN-additive system. At 1 mol %, the interfacial energy becomes lower in the presence of AVA, EVA, HAP, and VAC, while it becomes higher in the presence of the other additives. As the additive concentration increases from 1 to 10 mol %, the interfacial energy also increases. The interfacial energy ranges from 6.9 to 10.1 mK m(-2). Molecular modeling, implemented in the program Cerius2, is used to simulate and examine the surface chemistry of the likely crystal growth faces of VAN (i.e., {001} and {100}). To evaluate the additive-crystal face interaction energy, two approaches are used: the surface adsorption method and the lattice integration method. Both experimental and molecular simulation results indicate that the additives studied are potential modifiers of the nucleation of VAN. However, a simple and clear relationship between the experimental values of interfacial energy and the calculated interaction energies for the most important crystal faces of VAN cannot be identified. The modeling does not concern the actual nucleation but rather the conditions of a growing surface and are based on several severe simplifications. Obviously, this simplistic approach does not sufficiently capture the influence of additives on the nucleation of vanillin.
Ämnesord och genrebeteckningar
- TEKNIK OCH TEKNOLOGIER Kemiteknik hsv//swe
- ENGINEERING AND TECHNOLOGY Chemical Engineering hsv//eng
- nonlinear-optical-crystal
- force-field
- morphology
- growth
- 3-methoxy-4-hydroxy-benzaldehyde
- crystallization
- paracetamol
- energy
Biuppslag (personer, institutioner, konferenser, titlar ...)
- Rasmuson, Åke C.KTH,Kemiteknik(Swepub:kth)u1w1ulhl (författare)
- KTHKemiteknik (creator_code:org_t)
Sammanhörande titlar
- Ingår i:Crystal Growth & Design: American Chemical Society (ACS)4:5, s. 1025-10371528-74831528-7505
Internetlänk
Hitta via bibliotek
- Crystal Growth & Design (Sök värdpublikationen i LIBRIS)
Till lärosätets databas
- 10 av 24
- Föregående post
- Nästa post
- Till träfflistan
Hitta mer i SwePub
- Av författaren/redakt...
- Pino-Garcia, Osv ...
- Rasmuson, Åke C.
- Om ämnet
-
- TEKNIK OCH TEKNOLOGIER
- TEKNIK OCH TEKNO ...
- och Kemiteknik
- Artiklar i publikationen
- Crystal Growth & ...
- Av lärosätet
- Kungliga Tekniska Högskolan
Sök utanför SwePub
- Sök vidare i:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - Nationella bibliotekssystem
- LIBRIS.kb.se
