The unimolecular alkene elimination reaction class of fatty acid alkyl esters (FAAEs) is a crucial component in the low-temperature combustion mechanism for biodiesel fuels. However, thermo-kinetic parameters for this reaction class are scarce, parti...
Cuprous oxide (Cu2O) nanocubes were synthesized by reducing Cu(OH)2 in the presence of sodium citrate at room temperature. The samples were characterized in detail by field-emission scanning electron microscopy, transmission electron microscopy, hig...
Reliable estimation of kinetic parameters in chemical systems comprising both slow and rapid reaction steps and rapidly reacting intermediate species is a difficult differential-algebraic problem. Consequently, any conventional approach easily leads...
In order to compare the oxidation kinetics parameters of crude oils with different properties in the process of crude oil oxidation, six different crude oil samples were selected to analyze the oxidation characteristics of crude oils with different p...
The reaction models employed in the kinetic studies of biomass pyrolysis generally do not include the secondary charring reactions. The aim of this work is to propose an applicable kinetic model to characterize the pyrolysis mechanism of medium densi...
This work summarizes the results of our previous studies related to investigations of reactive ion etching kinetics and mechanisms for widely used silicon-based materials (SiC, SiO2, and SixNy) as well as for the silicon itself in multi-component flu...
Unilateral lower limb amputations usually present with asymmetric interlimb gait patterns, in the long term leading to secondary physical conditions and carrying the risk of low physical activity and impairment of general health. To assess prosthetic...
This paper provides a study of the liquid-phase polypropylene polymerization on a heterogeneous titanium–magnesium Ziegler–Natta-type catalyst. A kinetic model was developed that included the activation of potential active centers, chain...
In this work, we investigate some theoretical aspects related to the estimation approach proposed by Liebermeister and Klipp, 2006, in which general rate laws, derived from standardized enzymatic mechanisms, are exploited to kinetically describe the...
A 20 wt% Co-0.05 wt% Pt/γ-Al2O3 catalyst was investigated to obtain a fundamental understanding of the effect of CO partial pressure (constant H2 partial pressure) on important kinetic parameters of the methanation reaction (x vol% CO/25 vol% H...
Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we in...
One viable technical approach for achieving hydrogen-blended combustion in marine ammonia-fueled engines is to utilize online ammonia decomposition to produce hydrogen, which is then introduced into the engine for combustion. This work carried out am...
A non-equilibrium diffusion–reaction model is proposed to describe chloride transport and binding in cementitious materials. A numerical solution for this non-linear transport with reaction problem is obtained using the finite element method. The eff...
This study presents the further development of the TU Wien dual fuel mechanism, which was optimized for simulating ignition and combustion in a rapid compression expansion machine (RCEM) in dual fuel mode using diesel and natural gas at pressures hig...
The catalytic conversion of CO2 to CO by the reverse water gas shift (RWGS) reaction followed by well-established synthesis gas conversion technologies could be a practical technique to convert CO2 to valuable chemicals and fuels in industrial settin...
The in situ conversion of oil shale with air injection has the advantage of self-generated heat. The fragmentation degree of oil shale affects the oxidative pyrolysis process. In this paper, the basic properties of oil shale were analyzed, and weight...
For systems biology, it is important to describe the kinetic and thermodynamic properties of enzyme-catalyzed reactions and reaction cascades quantitatively under conditions prevailing in the cytoplasm. While in part I kinetic models based on irrever...
Generally, the linear correlation coefficient is one of the most significant criteria to appraise the kinetic parameters computed from different reaction models. Actually, the optimal kinetic triplet should meet the following two requirements: first,...
The measurement of thermodynamic properties of chemical or biological reactions were often confined to experimental means, which produced overall measurements of properties being investigated, but were usually susceptible to pitfalls of being too gen...
Ethanol is considered an alternative fuel to power fuel cells, especially due to its ease of transport and storage and renewable production on a large scale. However, its use in direct ethanol fuel cells (DEFC) is still limited by incomplete electro-...
The current manuscript addresses the problem of parameter estimation for kinetic models of chemical reaction networks from observed time series partial experimental data of species concentrations. It is demonstrated how the Kron reduction method of k...
In recent years, an increasing number of published articles on biocatalysis have reported new enzymes that exhibit biotechnologically interesting catalytic activities. Some authors rush to publish their work in an attempt to ensure “novelty&rdq...
Lipid liquid crystalline mesophases, resulting from the self-assembly of polymorphic lipids in water, have been widely explored as biocompatible drug delivery systems. In this respect, non-lamellar structures are particularly attractive: they are cha...
Introduction: The electrochemical reduction of carbon dioxide (CO2) to carbon monoxide (CO) is a promising approach to mitigate greenhouse gas emissions and produce valuable chemicals [...]
The concerted elimination reaction class of peroxyl-hydroperoxyl alkyl radicals (•OOQOOH) plays a crucial role in the low-temperature combustion of normal-alkyl cyclohexanes. The generation of the relatively unreactive HO2 radicals in this react...
Axillary crutches assist people with lower limb injuries but can lead to upper limb strain with extended use. Spring-loaded crutches offer a potential solution, yet they are rarely tested in clinical settings. This study developed spring-loaded crutc...
This work presents a nonlinear model predictive control scheme with a novel structure of observers aiming to create a methodology that allows feasible implementations in industrial anaerobic reactors. In this way, a new step-by-step procedure scheme...
This study investigates the kinetics data of glass wool (GW) and extruded polystyrene (XPS) insulation materials used in cladding systems using a systematic framework. The determination of appropriate kinetic properties, such as pre-exponential facto...
The error-in-variables-model (EVM) is the most statistically correct non-linear parameter estimation technique for reactivity ratio estimation. However, many polymer researchers are unaware of the advantages of EVM and therefore still choose to use r...
Reaction kinetics is an important field of study in chemical engineering to translate laboratory-scale studies to large-scale reactor conditions. The procedures used to determine kinetic parameters (activation energy, pre-exponential factor and the r...
The chemical and biotechnology industries are facing new challenges in the use of renewable resources. The complex nature of these materials requires the use of advanced techniques to understand the kinetics of reactions in this context. This study p...
The thermal analysis kinetic method was employed to solve the activation energies of the thermal decomposition reactions of urea and cyanuric acid, with the purpose of understanding the formation of deposits in the diesel engine SCR system. The depos...
In this paper, detailed comparisons of the driving force in thermodynamics and intrinsic force in the kinetics of 1,2-dihydropyridine and 1,4-dihydropyridine isomers of PNAH, HEH, and PYH in hydride transfer reactions are made. For 1,2-PNAH and 1,4-P...
The CO-selective methanation process is considered as a promising CO removal process for compact fuel processors producing hydrogen, since the process selectively converts the trace of CO in the hydrogen-rich gas into methane without additional react...
In systems biology, material balances, kinetic models, and thermodynamic boundary conditions are increasingly used for metabolic network analysis. It is remarkable that the reversibility of enzyme-catalyzed reactions and the influence of cytosolic co...
A kinetic model for the olefins synthesis from dimethyl ether on zeolite HZSM-5 based catalysts is developed. The model includes the reaction pathways for the synthesis of olefins from oxygenates in the olefinic and aromatic cycles according to moder...
Enzyme kinetics for systems biology should ideally yield information about the enzyme’s activity under in vivo conditions, including such reaction features as substrate cooperativity, reversibility and allostery, and be applicable to enzymatic reacti...
The calcium carbonate looping cycle is an important reaction system for processes such as thermochemical energy storage and carbon capture technologies, which can be used to lower greenhouse gas emissions associated with the energy industry. Kinetic...
Microstructured reactors offer fast chemical engineering transfer and precise microfluidic control, enabling the determination of reactions’ kinetic parameters. This review examines recent advancements in measuring microreaction kinetics. It ex...
For a complex catalytic reaction with a single-route linear mechanism, a new, kinetico-thermodynamic form of the steady-state reaction rate is obtained, and we show how its symmetries in terms of the kinetic and thermodynamic parameters allow better...
This article is devoted to the problem of developing a kinetic model of a complex chemical reaction using a parallel optimization method. The design of the kinetic model consists of finding the kinetic parameters of the reaction, which cannot be calc...
The most important model catalytic reaction to test the catalytic activity of metal nanoparticles is the reduction of 4-nitrophenol to 4-aminophenol by sodium borohydride as it can be precisely monitored by UV–vis spectroscopy with high accurac...
Thermal decomposition of solids often includes simultaneous occurrence of the overlapping processes with unequal contributions in a specific physical quantity variation during the overall reaction (e.g., the opposite effects of decomposition and evap...
In this tutorial overview article the authors share their original experience in studying the kinetics of thermally stimulated reactions under the conditions of continuous cooling. It is stressed that the kinetics measured on heating is similar to th...
With the development of large-scale and high-performing blast furnaces, it is necessary to extensively study the reaction characteristics and related kinetic parameters of sinters in their heat reserve area. Under reducing atmosphere conditions, the...
The application of polymerization initiators in a process can improve reaction efficiency and reduce energy loss. Azo compounds (azos) provide the required energy and promote polymerization for construction due to the heat release in the decompositio...
The development of a compact mechanism has made a great contribution to work on the combustion of hydrocarbon species and facilitates the investigations on chemical kinetics and computational fluid dynamics (CFD) studies. N-propylcyclohexane (NPCH) i...
In this paper, histidine was applied to treat vanadium-containing wastewater. Several independent experimental parameters, including H2SO4 concentration, dosage of histidine, reaction time and reaction temperature, were investigated and optimized thr...
Several successful examples—where physically sounded kinetic information was obtained from thermoanalytical data in different application fields, such as polymerization of thermosetting resins, biobased polymers and nanocomposites, crystallizat...
A data-driven strategy for the online estimation of important kinetic parameters was assessed for the copolymerization of ethylene with 1,9-decadiene using a metallocene catalyst at different diene concentrations and reaction temperatures. An initial...
of 29