Understanding Competition of Polyalcohol Dehydration Reactions in Hot Water

• Published in: The journal of physical chemistry. B Vol. 123; no. 7; pp. 1662 - 1671
• Main Authors: Chang, Yong Lik, Sasaki, Takehiko, Ribas-Ariño, Jordi, Machida, Masahiko, Shiga, Motoyuki
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 21.02.2019

Dehydration of biomass-derived polyalcohols has recently drawn attention in green chemistry as a prototype of selective reactions controllable in hot water or hot carbonated water, without any use of organic solvents or metal catalysts. Here, we report a free-energy analysis based on first-principle...