Liquid-phase modeling in heterogeneous catalysis

M Saleheen, A Heyden - ACS Catalysis, 2018 - ACS Publications
The notion that solvents can affect the chemical reactivity has been prevalent in the
homogeneous catalysis community, going back as far as 1863. 1 Remarkable changes in …

Investigation of solvent effects on the hydrodeoxygenation of guaiacol over Ru catalysts

M Saleheen, AM Verma, O Mamun, J Lu… - Catalysis Science & …, 2019 - pubs.rsc.org
The effects of a liquid phase environment on the hydrodeoxygenation of guaiacol, a
prototypical lignin derived compound, have been investigated over a Ru catalyst from first …

Solvation effects in the hydrodeoxygenation of propanoic acid over a model Pd (211) catalyst

S Behtash, J Lu, O Mamun, CT Williams… - The Journal of …, 2016 - ACS Publications
The effects of liquid water and 1, 4-dioxane on the hydrodeoxygenation of propionic acid
over Pd (211) model surfaces have been studied from first principles. A microkinetic model …

Solvent effects in the liquid phase hydrodeoxygenation of methyl propionate over a Pd (1 1 1) catalyst model

S Behtash, J Lu, E Walker, O Mamun, A Heyden - Journal of Catalysis, 2016 - Elsevier
Solvation effects of liquid water and 1, 4-dioxane have been studied from first principles for
the hydrodeoxygenation of methyl propionate over a Pd (1 1 1) catalyst surface model …

Theoretical Investigation of the Catalytic, Liquid-Phase Hydrodeoxygenation of Organic Acids and Esters

S Behtash - 2014 - scholarcommons.sc.edu
With worldwide fossil fuel resources dwindling and greenhouse gas emissions rising, it is
urgent to find renewable liquid fuel alternatives from eg biomass to meet the world's growing …