Results 11 to 20 of about 2,123,596 (289)
Solvation enthalpy determination for aqueous-phase reaction adsorbates from first principles ab initio molecular dynamics [PDF]
, 2023 The interplay between covalent and non-covalent interactions at the solid-liquid interface strongly influences electrocatalytic reactions. Although methods to determine the former interactions have been rigorously developed, the latter are often ...
Hee-Joon, Chun +3 more
core +2 more sources
Deep Learning-Based Increment Theory for Formation Enthalpy Predictions [PDF]
, 2022 Quantitative predictions of molecular thermochemistry, such as formation enthalpy, have been limited for complicated species due to a lack of available training data.
Lung-Yi, Chen +3 more
core +2 more sources
Simultaneous determination of enthalpy of mixing and reaction using milli-scale continuous flow calorimetry [PDF]
, 2022 A simultaneous determination of the enthalpy of mixing and reaction in a scalable continuous milli-scale flow calorimeter is investigated. As obtained calorimetric data is pivotal for the safety assessment of chemical reactions and processes.
Daniel M. Meier +9 more
core +1 more source
Enthalpy of the N+ + H2 → NH+ + H Reaction—Experimental Study of the Reverse Process
The Astrophysical Journal, 2023 The formation of nitrogen hydrides in the interstellar medium is initiated by the nearly thermoneutral reaction of N ^+ + H _2 → NH ^+ + H. Here, we experimentally determine the enthalpy of this reaction using the principle of detailed balance from a ...
Štěpán Roučka +8 more
doaj +1 more source
METHANOL STEAM REFORMING FOR HYDROGEN PRODUCTION IN MICROCHANNEL REACTORS
Chemical Engineering Journal Storage, 2022 Many attempts have been made to improve heat transfer for thermally integrated microchannel reforming reactors. However, the mechanisms for the effects of design factors on heat transfer characteristics are still not fully understood.
Junjie Chen
doaj +1 more source
Applied Sciences, 2020 The theoretical limits of water sorbate-based chemical sorption heat storage are investigated in this study. First, a classification of thermochemical heat storage is proposed based on bonding typology. Then, thermodynamics of chemical solid/gas sorption
Frédéric Kuznik, Kévyn Johannes
doaj +1 more source
Engineering Reports, 2023 Rate‐enhancement of any isothermal, isobaric chemical synthesis conducted under resonant microwave (RM) irradiation versus the same process activated by conventional field‐free heating has been attributed to a reduction in activation enthalpy of the ...
Boon Wong
doaj +1 more source
Characterization of reaction enthalpy and kinetics in a microscale flow platform
, 2020 We report an isothermal flow calorimeter for characterization of reaction enthalpy and kinetics. The platform consists of a thermoelectric element and a glass–silicon microreactor to measure heat flux and an inline IR spectrometer to monitor reaction ...
Jensen, Klavs F +2 more
core +1 more source
Measuring Kinetics in Flow Using Isoperibolic Flow Calorimetry
Reactions, 2022 Continuous flow calorimeters are a promising tool in process development and safety engineering, particularly for flow chemistry applications. An isoperibolic flow calorimeter is presented for the characterization of exothermic reactions. The calorimeter
Timothy Aljoscha Frede +2 more
doaj +1 more source
Combustion model of a pyrolyzable polymer in a high-enthalpy flow with an radially applied electrostatic field [PDF]
E3S Web of Conferences, 2023 Polymers combustion in high-enthalpy flows is realized in many power plants. This process is energetically favorable, but there are also significant problems, the main of which is the low combustion rate.
Budin Artemy +2 more
doaj +1 more source