The accuracy of thermochemical prediction methods is strongly dependent on the size of the
set of training data. Group additivity is an interpretable modeling strategy that can be …

The simulation and optimization of complex molecular conversion systems are one of the
primary challenges in the chemical reaction engineering field. Petroleum refining is a …

Kinetic models are powerful tools, widely applied in many different fields of chemical
engineering and industrial chemistry. These models are typically expressed as large …

Accurate process simulation models of naphtha steam cracking are significant for improving
product yields, reducing energy consumption, and process control. However, the complete …

In order to reveal the effects of normal/cyclo-alkane on the pyrolysis process, n-hexane, n-
heptane, cyclohexane, methylcyclohexane and n-hexane/cyclohexane mixtures were …

Accurate thermochemistry estimation of polycyclic molecules is crucial for kinetic modeling
of chemical processes that use renewable and alternative feedstocks. In kinetic model …

AC plasmas directly excited within liquid hydrocarbons were investigated for the production
of hydrogen and unsaturated C2 hydrocarbon in a recirculating liquid “jet” flow configuration …

Thermal decomposition of cyclohexane at temperatures up to 1310 K was performed using
flash pyrolysis coupled with vacuum ultraviolet (118.2 nm) photoionization time-of-flight …

In this work, a molecular-level kinetic model of ethane/propane steam cracking was
developed by using a hybrid structural unit-bond electron matrix framework. The molecular …

Sustainable aviation fuels (SAFs), produced from waste and renewable sources, are a
promising means for reducing net greenhouse gas emissions from air travel while still …