Introduction to Reaction Thermodynamics

Interdigitated array (IDA) electrodes with sensitive responses on the generation, transfer and collection of reaction products are proposed and utilized as a convenient and effective tool to in situ monitor and characterize the reaction thermodynamics and kinetics information.

However, the most common Al4C3 phase in Al-C systems was rarely reported, which could not be explained by reaction thermodynamics.

However, in aqueous solution, the activation energy reduces dramatically and changes the reaction thermodynamics, making it kinetically accessible and thermodynamically viable.

Reaction thermodynamics have also to be considered in relation with the dissociation energy of the π(C O), σ(C OH) or σ(C C) bonds involved.

First, the limitations provided by reaction thermodynamics and the indispensability of catalysts for CO2 hydrogenation to higher alcohols are discussed.

These oxygen-bound intermediates have a big influence on addressing mechanistic aspects of competing reaction pathways, based on extensive analysis of adsorption behaviour, reaction thermodynamics and reaction kinetics.

Here, we demonstrate an inorganic-organic competitive coating strategy for constructing gradient-structured ferroferric oxide-carbon nanospheres, in which the deposition of ferroferric oxide nanoparticles and polymerization of carbonaceous species are competitive and well controlled by the reaction thermodynamics.

Results corroborated with the solution chemistry and reaction thermodynamics of the Au–NaCl-(electro)Cl2 system could reveal the stepwise reaction mechanism.

Temperature is an important parameter of reaction thermodynamics, which determines whether metabolic reactions can proceed.

Quantum chemical and statistical reaction rate theory calculations illuminate pertinent information for interpreting the reaction data, including reaction thermodynamics and a potential energy surface for the reaction, as well as rate constants and branching ratios for the observed products.

A comprehensive first principles investigation is performed to address the stability, reaction thermodynamics and the electrochemical properties C2N1-xBx and C2B monolayers for the use as the anodes in alkali metal ion batteries (Li, Na and K).

To explore the reaction thermodynamics of a styrene-ethylbenzene mixed system, a differential scanning calorimetry (DSC) analysis was performed on the mixed system with styrene: ethylbenzene mass ratios of 1:0, 4:1, 3:2, and 2:3 at heating rates of 2.

The tetrahydrofuran (THF) solvated complex [(THF)(OUVIOUIV)(THF)(L)]2+ has high reaction free energy (ΔrG), and its replacement with electron-donating iodine promotes the reaction thermodynamics to obtain uranyl iodide [(I)(OUVIOUIV)(I)(L)]2+ (UVI-UIV).

The TiF3/MgB2 system was examined further theoretically with reaction thermodynamics and phase nucleation kinetic calculations to better understand the production of Ti metal when TiB2 is thermodynamically favored.

The result is interpreted based on reaction thermodynamics in the molten pool in combination with TEM observation of the microstructure of the LMDed alloy steel.

Model transition metal/graphene catalysts are employed for statistical sampling of selected reactions pathways, in particular, the technologically important methanol decomposition reaction, to probe the influence of substrate–cluster interactions on reaction thermodynamics and kinetics.

The reaction thermodynamics were investigated computationally, and reported product channels are exothermic.

Herein, we present a new material couple, Bi2S3-AgBiS2, to detail the binary-ternary chemical transformation via partial cation exchange and its reaction thermodynamics and kinetics.

Mechanistic interpretation for these findings was tentatively proposed according to a basic principle in clumped-isotope geochemistry, reaction thermodynamics and kinetics, along with isotope effects occurring on electron ionization mass spectrometry.

Reaction process and phase evolution during heat-treatment were studied based on analysis of reaction thermodynamics.

In addition, based on reaction thermodynamics and enzyme kinetics, it can compute the minimal enzyme protein cost that supports metabolic flux, and evaluate pathway stability and flux in response to enzyme concentration perturbations.

Major aspects of the new paradigm include the collective action of many catalyst states that form a statistical ensemble in reaction conditions, the catalytic activity and selectivity being driven by rare and metastable catalyst states, reaction thermodynamics and kinetics being controlled by different states of the catalyst, broken scaling relationships, non‐Arrhenius behaviors, and catalyst dynamic restructuring being an essential part of the reaction mechanism.

Although the thermodynamic quantities (Gibbs free energy, reaction enthalpy, and entropy) of the complexation of humic acid are necessary for the discussion of the reaction thermodynamics, their accurate determination, especially concerning dissolved humic acid in deep groundwater, has not been carried out.

The effects of H2 and trace amounts of oxidizing gas impurities on the reaction thermodynamics of the conversion process and microstructural evolution were investigated.

Reaction thermodynamics and kinetics were also analyzed.

The reaction thermodynamics have been evaluated in terms of the enthalpy and Gibbs free energy of reaction.

The reaction thermodynamics and kinetics are determined, and the formation mechanisms of the products are proposed, which are crucial to determine the influence of CH3CH2OCH2CH3, CHF2CF2OCH2CF3 and CF3CH2OCH3 on air quality, as well as its atmospheric lifetime and durability.

Reaction thermodynamics and behaviors of alkali metal compounds were studied by FactSage7.

Surface and cross-sectional scale morphologies and chemistry have been examined, and variations in the Cr evaporation behavior of different alloys are discussed based on the reaction thermodynamics.