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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.

ABSTRACT: 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 H2 . 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(OH2 ) 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 .

SUBMITTER: Wang X 

PROVIDER: S-EPMC6973064 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature

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Mg(OH)<sub>2</sub> -Facilitated Liquid-Phase Conversion of Lactic Acid into 1,2-Propanediol over Cu: An Experimental and Theoretical Study.

Wang Xinde X   Beine Anna Katharina AK   Hausoul Peter J C PJC   Palkovits Regina R  

ChemSusChem 20191021 1

Mg(OH)<sub>2</sub> 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<sub>2</sub> . Mg(LA)<sub>2</sub> could be identified as a crucial intermediate in this reaction, as it undergoes faster conversion than the combination of LA and Mg(OH<sub>2</sub> ) and regeneration of Mg(OH)<sub>2</sub> through the conversion of Mg(LA)<sub>2</sub> as a substra  ...[more]

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