Mg(OH) 2 ‐Facilitated Liquid‐Phase Conversion of Lactic Acid into 1,2‐Propanediol over Cu: An Experimental and Theoretical Study | Zendy

Wang Xinde | Zendy; Beine Anna Katharina | Zendy; Hausoul Peter J. C. | Zendy; Palkovits Regina | Zendy

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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) - propanediol , 1,3 propanediol , lactic acid , liquid phase , phase (matter) , chemistry , chemical engineering , materials science , inorganic chemistry , nuclear chemistry , organic chemistry , thermodynamics , glycerol , physics , bacteria , geology , paleontology , engineering

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 .

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