Anderson, Craciun, and Kurtz have proved that a stochastically modelled chemical reaction system with mass-action kinetics admits a stationary distribution when the deterministic model of the same system with mass-action kinetics admits an equilibrium solution obeying a certain ‘complex balance’ condition. Here we present a proof of their theorem using tools from the theory of second quantizati...

The Michaelis-Menten (MM) equation is the basic equation of enzyme kinetics; it is also a basic building block of many models of biological systems. We build a stochastic and microscopic model of enzyme kinetics inside a small subcellular compartment. Using both theory and simulations, we show that intrinsic noise induces a breakdown of the MM equation even if steady-state metabolic conditions ...

The kinetics for the previously proposed 114-reaction mechanism for the chemical vapor deposition (CVD) process that leads from methyltrichlorosilane (MTS) to silicon carbide (SiC) are examined. Among the 114 reactions, 41 are predicted to proceed with no intervening barrier. For the remaining 73 reactions, transition states and their corresponding barrier heights have been explored using secon...

Low temperature oxidation in the gas and condensed phases has been the subject of experimental investigations for many decades owing to applications in many areas of practical significance like thermal stability, combustion, atmospheric chemistry and industrial syntheses. Owing to several practical limitations it has proven difficult to understand these processes at a mechanistic level from exp...

We present a method based on the Melnikov function used in dynamical systems theory to determine the wavespeed of travelling waves in perturbed reaction-diffusion systems. We study reaction-diffusion systems which are subject to weak nontrivial perturbations in the reaction kinetics, in the diffusion coefficient, or with weak active advection. We find explicit formulae for the wavespeed and ill...

An empirical rate equation was obtained for the methanation kinetics catalyzed by MCR-2X, a commercial catalyst prepared by Haldor-Topsoe. The studies were carried out in a fixed-bed reactor under differential conditions, and in a gradientless recycle reactor (Berry) over a range of total pressures, reactant concentractions (H2/CO ratios), and temperatures. The kinetics of methanation were foun...

Cysteine protease enzymes are important for human physiology and catalyze key protein degradation pathways. These enzymes react via a nucleophilic reaction mechanism that involves a cysteine residue and the proton of a proximal histidine. Particularly efficient inhibitors of these enzymes are nitrile-based, however, the details of the catalytic reaction mechanism currently are poorly understood...

Dynamical systems arising from chemical reaction networks with mass action kinetics are the subject of chemical reaction network theory (CRNT). In particular, this theory provides statements about uniqueness, existence, and stability of positive steady states for all rate constants and initial conditions. In terms of the corresponding polynomial equations, the results guarantee uniqueness and e...

Capture of CO and NO by blood requires molecules to travel by diffusion from alveolar gas to haemoglobin molecules inside RBCs and then to react. One can attach to these processes two times, a time for diffusion and a time for reaction. This reaction time is known from chemical kinetics and, therefore, constitutes a unique physical clock. This paper presents a time-based bottom-up theory that y...