The design of heterogeneous catalysts relies on understanding the fundamental surface
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …

Surface reaction networks involving hydrocarbons exhibit enormous complexity with
thousands of species and reactions for all but the very simplest of chemistries. We present a …

The current state and challenges of advanced experimental and modeling methods for a
better understanding of heterogeneous chemical reactions are discussed using examples …

The production of fuels and chemicals from renewable lignocellulosic biomass resources
has been a major research focus in the last few decades. The most efficient method for …

Automatic mechanism generation is used to determine mechanisms for the CO2
hydrogenation on Ni (111) in a two-stage process while considering the correlated …

A comprehensive optimization model that can determine the most cost‐effective and
environmentally sustainable production pathways in an integrated processing network is …

Oxygenates derived through the selective catalytic refunctionalization of carbohydrates of
lignocellulosic biomass can be tailored to exhibit desired physicochemical fuel properties …

We develop a superstructure framework for the design of biorefineries for ethanol upgrading
into advanced biofuels to replace gasoline, jet fuel or diesel. The framework integrates …

Biomass (eg, agricultural residues, energy crops, and woody forest residues) is the only
renewable source of carbon and a potential resource to substitute fossil hydrocarbons in the …

Even though a shift from conventional to renewable resources is often envisaged,
lignocellulosic biorefinery concepts struggle with economic viability and sustainability. In …