Nano-design of zeolites biomass wastes valorization: dehydration of lactic acid into acrylic acid
Authors:
- Izabela Kurzydym,
- Izabela Czekaj
Abstract
Th e valorization of waste from biomass currently arouses great interest. In the present study we concentrate on the design of innovative BEA zeolite catalysts with applied metal nanoparticles - copper, vanadium and manganese for the dehydration of lactic acid to acrylic acid. Th e ab initio method based on density functional theory (DFT) was used to calculate the electron structure of the analyzed molecules. Th e non-local generalized gradient corrected functionals GGA-RPBE was used to in order to account for electron exchange and correlation. Th e cluster model was represented by a hierarchical zeolite M2Al2Si12O40H22 (M = Cu, V, Mn). Th e stabilization of the M-Ob-M dimer complex in the hierarchical structure of BEA, mechanism of adsorption of lactic acid on BEA zeolite with applied metal dimers and formation of acrylic acid on these zeolites were investigated. Th e examined metals form stable dimers interconnected by a bridge oxygen (Ob). Adsorption of lactic acid takes place in the vicinity of a dimer of M-Ob-M. Th e dehydration of lactic acid to acrylic acid in all cases consists in the separation of the hydroxyl group and creating a connection with a metal center of dimer and disconnection of a single hydrogen atom from the methyl group and its interaction with bridge oxygen of dimer.
- Record ID
- CUT10a4b3acb1fd463388e3db3498540c2f
- Publication categories
- ;
- Author
- Journal series
- Inżynieria Mineralna, ISSN 1640-4920
- Issue year
- 2019
- No
- 1 (43)
- Pages
- 169-172
- Other elements of collation
- rys.; Bibliografia (na s.) - 172; Bibliografia (liczba pozycji) - 14; Oznaczenie streszczenia - Abstr. ang., pol.; Numeracja w czasopiśmie - 1 (43)
- Keywords in English
- DFT method, metalic nanoparticles, lactic acid dehydration, acrylic acid
- DOI
- DOI:10.29227/IM-2019-01-32 Opening in a new tab
- Related project
- Nano-design of zeolite-based catalysts for selective conversion of biomass into chemicals. . Project leader at PK: , ,
Projects financed by NSC [Projekty finansowane przez NCN] - Language
- eng (en) English
- Score (nominal)
- 40
- Publication indicators
- = 0
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUT10a4b3acb1fd463388e3db3498540c2f/
- URN
urn:pkr-prod:CUT10a4b3acb1fd463388e3db3498540c2f
* presented citation count is obtained through Internet information analysis, and it is close to the number calculated by the Publish or PerishOpening in a new tab system.