Thermodynamics and kinetics of DNA nanotube polymerization from single-filament measurements

Single-filament measurement of the thermodynamic and kinetic parameters of DNA nanotube assembly supports a polymerization/depolymerization model sharing common features with cytoskeletal polymer models.

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Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical

Scientific Reports ◽

10.1038/s41598-019-51544-8 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 4

Author(s):

Mohamed A. Abdel-Rahman ◽

Tarek M. El-Gogary ◽

Nessreen Al-Hashimi ◽

Mohamed F. Shibl ◽

Kazunari Yoshizawa ◽

...

Keyword(s):

Kinetic Parameters ◽

Energy Surface ◽

Elevated Temperatures ◽

State Theory ◽

Rate Coefficients ◽

Methyl Radical ◽

Energy Barriers ◽

Oxidation Of Organic Compounds ◽

Thermodynamic And Kinetic Parameters ◽

Kinetics Of

Abstract In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical was introduced. Potential-energy surface for various channels for the oxidation of 2ME was studied at density function theory (M06-2X) and ab initio CBS-QB3 levels of theory. H-atom abstraction reactions, which are essential processes occurring in the initial stages of the combustion or oxidation of organic compounds, from different sites of 2ME were examined. A similar study was conducted for the isoelectronic n-butanol to highlight the consequences of replacing the ϒ CH2 group by an oxygen atom on the thermodynamic and kinetic parameters of the oxidation processes. Rate coefficients were calculated from the transition state theory. Our calculations show that energy barriers for n-butanol oxidation increase in the order of α ‹ O ‹ ϒ ‹ β ‹ ξ, which are consistent with previous data. However, for 2ME the energy barriers increase in the order α ‹ β ‹ ξ ‹ O. At elevated temperatures, a slightly high total abstraction rate is observed for the bifunctional 2ME (4 abstraction positions) over n-butanol (5 abstraction positions).

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Thermodynamics and Kinetics of the Adsorption for Phenanthrene onto CTMA-Bentonite in Aqueous Solutions

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.233-235.1089 ◽

2011 ◽

Vol 233-235 ◽

pp. 1089-1092 ◽

Cited By ~ 1

Author(s):

Jian Min Ren

Keyword(s):

Adsorption Process ◽

Adsorption Equilibrium ◽

Order Kinetic ◽

Dominant Mechanism ◽

Thermodynamics And Kinetics ◽

Order Kinetic Model ◽

Pseudo Second Order ◽

Thermodynamic And Kinetic Parameters ◽

Adsorption Rates ◽

Kinetics Of

The adsorption thermodynamic and kinetic parameters of phenanthrene onto CTMA-bentonite were studied. The result shows that adsorption equilibrium time at their initial concentrations of 2 mg.L-1 and 6 mg. L-1 is 110 min. The dynamical data for the organoclay fit well with pseudo-second-order kinetic model at 303-333 K. The adsorption rates was found higher with the temperature increased, but its sorption extent was lower. Thermodynamic parameters such as ΔG0, ΔH0, ΔS0 were also evaluated. The overall adsorption process was spontaneous, exothermic physisorption. The isotherms for phenanthrene on the organoclay are linear and showed that partitioning was the dominant mechanism of phenanthrene on CTMA-bentonite.

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Irradiation behavior of pyrolytic silicon carbide

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100074288 ◽

1983 ◽

Vol 41 ◽

pp. 72-73

Author(s):

R. J. Lauf

Keyword(s):

Silicon Carbide ◽

Fission Products ◽

Thermodynamics And Kinetics ◽

Neutron Fluences ◽

Fuel Particles ◽

Sic Coatings ◽

Irradiation Behavior ◽

Kinetics Of ◽

Htgr Fuel

Fuel particles for the High-Temperature Gas-Cooled Reactor (HTGR) contain a layer of pyrolytic silicon carbide to act as a miniature pressure vessel and primary fission product barrier. Optimization of the SiC with respect to fuel performance involves four areas of study: (a) characterization of as-deposited SiC coatings; (b) thermodynamics and kinetics of chemical reactions between SiC and fission products; (c) irradiation behavior of SiC in the absence of fission products; and (d) combined effects of irradiation and fission products. This paper reports the behavior of SiC deposited on inert microspheres and irradiated to fast neutron fluences typical of HTGR fuel at end-of-life.

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Thermodynamics and kinetics of hydriding of the Zr(Ni0.75V0.25)2 laves phase

European Journal of Control ◽

10.3166/acsm.29.2.1-9 ◽

2004 ◽

Vol 29 (2) ◽

pp. 1-9

Author(s):

Mustapha Boulghallat ◽

Ahmed Jouaiti ◽

Norbert Gérard

Keyword(s):

Laves Phase ◽

Thermodynamics And Kinetics ◽

Kinetics Of

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Faculty Opinions recommendation of Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.727407951.793532404 ◽

2017 ◽

Author(s):

Qiang Cui

Keyword(s):

Thermodynamics And Kinetics ◽

Kinetics Of

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THERMODYNAMICS AND KINETICS OF AQUEOUS PIPERAZINE WITH POTASSIUM CARBONATE FOR CARBON DIOXIDE ABSORPTION

10.2172/839556 ◽

2005 ◽

Cited By ~ 14

Author(s):

John T. Cullinane

Keyword(s):

Carbon Dioxide ◽

Potassium Carbonate ◽

Carbon Dioxide Absorption ◽

Thermodynamics And Kinetics ◽

Kinetics Of

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Influence of medium on alkaline hydrolysis of succinic acid monomethyl and monopropyl esters

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19802873 ◽

1980 ◽

Vol 45 (11) ◽

pp. 2873-2882

Author(s):

Vladislav Holba ◽

Ján Benko

Keyword(s):

Succinic Acid ◽

Kinetic Parameters ◽

Alkaline Hydrolysis ◽

Specific Interactions ◽

Nonaqueous Media ◽

The Media ◽

Kinetics Of ◽

Hydrolysis Of

The kinetics of alkaline hydrolysis of succinic acid monomethyl and monopropyl esters were studied in mixed aqueous-nonaqueous media at various temperatures and ionic strengths. The results of measurements are discussed in terms of electrostatic and specific interactions between the reactants and other components of the reaction mixture. The kinetic parameters in the media under study are related to the influence of the cosolvent on the solvation sphere of the reactants.

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Kinetics of temperature-programmed reactivation of a hydrodesulphurization catalyst

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19833340 ◽

1983 ◽

Vol 48 (12) ◽

pp. 3340-3355 ◽

Cited By ~ 2

Author(s):

Pavel Fott ◽

Pavel Šebesta

Keyword(s):

Carbon Dioxide ◽

Thermal Analysis ◽

Differential Thermal Analysis ◽

Thin Layer ◽

Kinetic Parameters ◽

Diffusion Region ◽

Reaction Heat ◽

Gaseous Products ◽

Temperature Programmed ◽

Kinetics Of

The kinetic parameters of reactivation of a carbonized hydrodesulphurization (HDS) catalyst by air were evaluated from combined thermogravimetric (TG) and differential thermal analysis (DTA) data. In addition, the gaseous products leaving a temperature-programmed reactor with a thin layer of catalyst were analyzed chromatographically. Two exothermic processes were found to take part in the reactivation, and their kinetics were described by 1st order equations. In the first process (180-400 °C), sulphur in Co and Mo sulphides is oxidized to sulphur dioxide; in the second process (300-540 °C), in which the essential portion of heat is produced, the deposited carbon is oxidized to give predominantly carbon dioxide. If the reaction heat is not removed efficiently enough, ignition of the catalyst takes place, which is associated with a transition to the diffusion region. The application of the obtained kinetic parameters to modelling a temperature-programmed reactivation is illustrated on the case of a single particle.

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