Researchers at the University of Pennsylvania and Argonne National Laboratory have made the most direct observation of a key intermediate formed during the breakdown of hydrocarbons in combustion and ...

The potential energy curves of each structural model exhibited a gradual stabilization following an initial sharp decline. The structural models corresponding to each functional group were confined ...

This study presents a reduced ionic chemical kinetics mechanism for predicting combustion phasing in methane-fueled homogeneous charge compression ignition (HCCI) engines. Starting from the detailed ...

Fires in the wildland-urban interface (WUI) differ from wildland fires. Combustible materials in the WUI have different chemical compositions and densities, and are present in different quantities, ...

Looking for cleaner, low-carbon fuel alternatives? A new review in Engineering breaks through the complex combustion chemistry of biomass-derived ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Researchers from Carnegie Mellon University and Los Alamos National Laboratory have used machine learning to create a model that can simulate reactive processes in a diverse set of organic materials ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Students explore the concept that chemical reactions involve the breaking of bonds between atoms in the reactants, and the rearrangement and rebonding of these atoms to make the products. Students ...

In the reaction, the bonds in the methane and oxygen molecule come apart, the atoms rearrange and then re-bond to form water and carbon dioxide. The little number written at the lower right after an ...