Type of lattice strain alteration, the reducing agent of activation energy of titania loading on the silica matrix than that of pure titania

2013 ◽  
Vol 20 (2) ◽  
pp. 119-130 ◽  
Author(s):  
Shahruz Nasirian ◽  
Hossain Milani Moghaddam
Keyword(s):  
Activation Energy ◽  
Lattice Strain ◽  
Silica Matrix ◽  
Reducing Agent

Effect of concentration on lattice strain, dielectric properties and activation energy of CoFe2O4/BaTiO3 nanocomposites

2021 ◽  
Vol 127 (6) ◽  
Author(s):  
U. K. Dwivedi ◽  
Manisha Kumari ◽  
Meenu Khan ◽  
Hariom Pawar ◽  
Rahul Singhal ◽  
...  
Keyword(s):  
Activation Energy ◽  
Dielectric Properties ◽  
Lattice Strain

scholarly journals Systematic kinetic study of magnesium production using magnesium oxide and carbonic materials at different temperatures

2021 ◽  
Vol 68 (1) ◽  
Author(s):  
Hamid Zahedi ◽  
Nahid Farzi ◽  
Nasser Golestani
Keyword(s):  
Activation Energy ◽  
Kinetic Equation ◽  
Solid State ◽  
Magnesium Oxide ◽  
Chemical Kinetics ◽  
Rate Coefficient ◽  
Reducing Agent ◽  
General Definition ◽  
Mathematical Function ◽  
State Chemical

Abstract The main goal of this study was to determine the industrially best reductant for reduction of magnesium oxide to magnesium with wood charcoal and petroleum coke (petcoke) each in molar ratio 1:1 and 1:2 (oxidant:reductant) at high temperatures. In this study, a new and reliable combination of mathematical modeling and discrete numerical optimization theory by presenting 18 “mathematical filters” not relying only on statistical quantities of fitting (contrary to many similar researches) was introduced. The purpose of these filters was the determination of correct kinetic equation and therefore, the corresponding rate coefficient from among 18 equations most used at present in the challenging field of solid state chemical kinetics. With assistance of a new and fundamental mathematical function and the obtained values of rate coefficients, the function of rate coefficient in temperature was attained. The activation energy was then calculated as a function of temperature using the general definition of activation energy and the determined function for rate coefficient. The comparison between different reducing agents in the different conditions and with relevant previous study was accomplished to determine the best reducing agent from industry standpoint. Also, the areas under experimental data were calculated numerically and utilized for method validation and comparison. It turned out finally that relying only on fitting quantities in the solid state chemical kinetics can readily lead to wrong conclusions about the correct kinetic equation and about the most suitable reducing agent. It is obvious that the erroneous calculations and wrong decisions in the laboratory scale become significant and paramount in industry and this reveals the significance of rigorous mathematical analysis. Graphical abstract

Difference in Secondary Defects between High Energy B+ and Al+ implanted 4H-SiC

2000 ◽  
Vol 640 ◽  
Author(s):  
Toshiyuki Ohno ◽  
Naoto Kobayashi
Keyword(s):  
Activation Energy ◽  
Dislocation Loop ◽  
Lattice Strain ◽  
Volume Concentration ◽  
Defect Formation ◽  
High Energy ◽  
Defect Size ◽  
Ion Density ◽  
Secondary Defect ◽  
Ion Species

ABSTRACTThe differences of secondary defects between B+ and Al+ implanted layers in high-energy implantation were investigated. At the same volume concentration of implanted ion, density of secondary defects in Al+ implanted layer is higher than that in B+ implanted layer. On the contrary, mean defect size in B+ implanted layer is larger than that in Al+ implanted layer. The structure of secondary defect is thought to be a dislocation loop formed by an extra Si-C layer or localized lattice strain correlated to agglomerated interstitials. The amount of interstitials used for secondary defect formation is estimated. It almost coincides the same amount of implanted ions, and this correlation doesn't depend on ion species. B+ and Al+ implanted layers have different activation energy for secondary defect formation. This result means that they have different agglomerating mechanism of interstitials, which cause the differences of defect size and density between them.

scholarly journals Bending-torsional elasticity and energetics of the plus-end microtubule tip

2021 ◽  
Author(s):  
Maxim Igaev ◽  
Helmut Grubmueller
Keyword(s):  
Activation Energy ◽  
Elastic Energy ◽  
Lattice Strain ◽  
Atomistic Simulations ◽  
Lateral Interactions ◽  
Time Resolved ◽  
Ratchet Mechanism ◽  
Torsional Strain ◽  
Spontaneous Relaxation ◽  
Lattice Formation

Microtubules (MTs), mesoscopic cellular filaments, grow primarily by the addition of GTP-bound tubulin dimers at their dynamic flaring plus-end tips. They operate as chemomechanical energy transducers with stochastic transitions to an astounding shortening motion upon hydrolyzing GTP to GDP. Time-resolved dynamics of the MT tip - a key determinant of this behavior - as a function of nucleotide state, internal lattice strain, and stabilizing lateral interactions have not been fully understood. Here, we use atomistic simulations to study the spontaneous relaxation of complete GTP-MT and GDP-MT tip models from unfavorable straight to relaxed splayed conformations and to comprehensively characterize the elasticity of MT tips. Our simulations reveal the dominance of viscoelastic dynamics of MT protofilaments during the relaxation process, driven by the stored bending-torsional strain and counterbalanced by the inter-protofilament interactions. We show that the post-hydrolysis MT tip is exposed to higher activation energy barriers for straight lattice formation, which translates into its inability to elongate. Our study provides an 'information ratchet' mechanism for the elastic energy conversion and release by MT tips and offers new insights into the mechanoenzymatics of MTs.

Dependence of activation energy and lattice strain on TiO2nanoparticles?

2012 ◽  
Vol 1 (1) ◽  
pp. 201-212 ◽  
Author(s):  
Hossain Milani Moghaddam ◽  
Shahruz Nasirian
Keyword(s):  
Activation Energy ◽  
Lattice Strain

Synergistic effect of Au–Ag nano-alloying: intense SEIRA and enhanced catalysis

2017 ◽  
Vol 46 (29) ◽  
pp. 9664-9677 ◽  
Author(s):  
Manoj Verma ◽  
M. Boazbou Newmai ◽  
P. Senthil Kumar
Keyword(s):  
Activation Energy ◽  
Synergistic Effect ◽  
Functional Relationship ◽  
Reducing Agent ◽  
Diffusion Activation Energy ◽  
Structure Property ◽  
Metal Precursors ◽  
Diffusion Activation

The mild reducing agent, PVP, synergistically decreases the diffusion activation energy of the metal precursors, facilitating the formation of homogenous AuAg alloy nanohybrid system; their structure-property functional relationship and enhanced applications are duly established.

Carbon Monoxide Related Reductions

INEOS OPEN ◽  
2020 ◽  
Vol 3 ◽  
Author(s):  
O. I. Afanasyev ◽  
◽  
D. Chusov ◽  
Keyword(s):  
Organic Chemistry ◽  
Carbon Monoxide ◽  
Reducing Agent ◽  
Current Development ◽  
Efficient Route ◽  
Development Prospects

Carbon monoxide is a unique reducing agent that is only gaining popularity in organic chemistry. This review highlights the main approaches to the application of CO as a reducing agent, summarizes and critically analyzes the key trends in this field, and describes the current development prospects. Potentially the most selective and efficient route for the realization of these processes is demonstrated.

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