The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are bette...

The reaction route (RR) graph approach recently developed by us for complex, non-linear kinetic mechanisms is applied to the hydrogen oxidation and evolution reactions. A corresponding RR graph is constructed and translated into an equivalent electrical circuit network by associating each elementary step with a characteristic resistance for the steady-state case and considering the overall reac...

Real-time monitoring of chemical reactions is still challenging as well as important to study reaction mechanisms and reaction kinetics. Herein, we demonstrated the real-time monitoring of o-phenylenediamine (OPD) oxidation on the surface of gold nanoparticles by surface-enhanced Raman spectroscopy (SERS). The oxidation mechanism and the reaction kinetics were investigated on the basis of the S...

The aim of this study is to explore the capability of subcritical methanol to reduce the acidity of naphthenic acids and to determine reaction kinetics for large-scale reactor design.The experiments were carried out in a 25 mL autoclave reactor (China) at temperatures of 70-120oC, Methanol Partial Pressures (MPPs) of 0.1-1.5 MPa, and reaction times of 0-60 min. The total...

The aim of this study is to explore the capability of subcritical methanol to reduce the acidity of naphthenic acids and to determine reaction kinetics for large-scale reactor design.The experiments were carried out in a 25 mL autoclave reactor (China) at temperatures of 70-120oC, Methanol Partial Pressures (MPPs) of 0.1-1.5 MPa, and reaction times of 0-60 min. The total...

The kinetics of evaporation of liquids has been reconsidered from the point of view of classical reaction kinetics and also by application of the theory of absolute reaction rates. It is shown that evaporation treated as a unimolecular rate process, with a rate pro ortional to the surface concentration of energetic molecules, leads to the Knudsen equation for spherical molecules proviled 6 squa...

Front Cover: In article number 2100017, Michael Wulkow and co-workers refine apply classical Bayesian parameter estimation for polymerization. This aims at showing the mathematical connection of both approaches how their combination can should be leveraged in a closed workflow to derive strong understanding model its parameters.