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Mg(OH) 2 ‐Facilitated Liquid‐Phase Conversion of Lactic Acid into 1,2‐Propanediol over Cu: An Experimental and Theoretical Study
Author(s) -
Wang Xinde,
Beine Anna Katharina,
Hausoul Peter J. C.,
Palkovits Regina
Publication year - 2020
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201902347
Subject(s) - selectivity , propanediol , catalysis , substrate (aquarium) , lactic acid , chemistry , liquid phase , 1,3 propanediol , phase (matter) , nuclear chemistry , inorganic chemistry , organic chemistry , glycerol , bacteria , thermodynamics , oceanography , physics , biology , genetics , geology
Mg(OH) 2 is found to exhibit superior performance in the liquid‐phase conversion of lactic acid (LA) into 1,2‐propanediol over Cu. A conversion of 90 % with a selectivity of 98 % is achieved at 513 K and 5 MPa H 2 . Mg(LA) 2 could be identified as a crucial intermediate in this reaction, as it undergoes faster conversion than the combination of LA and Mg(OH 2 ) and regeneration of Mg(OH) 2 through the conversion of Mg(LA) 2 as a substrate. DFT calculations reveal that the energetic span of the reaction decreases from 46.6 kcal mol −1 catalyzed with no cation to 43.6 kcal mol −1 with [Mg(OH)] + , confirming the facilitating effect of Mg(OH) 2 .