Multistep Reaction Processes in Epoxide Formation from 1-Chloro-2-methyl-2-propanol on Ag(110) Revealed by TPXPS and TPD Experiments

2003 ◽  
Vol 107 (50) ◽  
pp. 13976-13985 ◽  
Author(s):  
H. Piao ◽  
K. Adib ◽  
Z. Chang ◽  
J. Hrbek ◽  
M. Enever ◽  
...  
Keyword(s):  
Reaction Processes ◽  
Multistep Reaction ◽  
Epoxide Formation

scholarly journals The 12C(p,2p)11B Reaction at 100 MeV

1979 ◽  
Vol 32 (4) ◽  
pp. 323 ◽  
Author(s):  
DW Devins ◽  
DL Friesel ◽  
WP Jones ◽  
AC Attard ◽  
ID Svalbe ◽  
...  
Keyword(s):  
Ground State ◽  
Impulse Approximation ◽  
Intermediate Step ◽  
Distorted Wave ◽  
Giant Resonances ◽  
Angular Correlations ◽  
Spectroscopic Factors ◽  
Distorted Wave Impulse Approximation ◽  
Reaction Processes ◽  
Multistep Reaction

The 12C(p,2p)l1B reaction has been measured at 100 MeV in both symmetric and asymmetric geometries. Distorted wave impulse approximation calculations were used to obtain spectroscopic factors for all states of l1B below 7 MeV excitation. From these spectroscopic factors and the shapes of the measured angular correlations, it is concluded that (i) no large 1f components are present in the wavefunction of the ground state of 12C and (ii) this experiment gives no evidence for the formation of giant resonances as the intermediate step in multistep reaction processes to the 4�44 MeV (5/2-) and 6�74 MeV (7/2-) states of 11B.

Lifetime Prediction of Tires with Regard to Oxidative Aging5

2008 ◽  
Vol 36 (1) ◽  
pp. 63-79 ◽  
Author(s):  
L. Nasdala ◽  
Y. Wei ◽  
H. Rothert ◽  
M. Kaliske
Keyword(s):  
Finite Element Analysis ◽  
Finite Element ◽  
Temperature Distribution ◽  
Superposition Principle ◽  
Accelerated Aging ◽  
Material Model ◽  
Aging Behavior ◽  
Element Analysis ◽  
Material Parameters ◽  
Reaction Processes

Abstract It is a challenging task in the design of automobile tires to predict lifetime and performance on the basis of numerical simulations. Several factors have to be taken into account to correctly estimate the aging behavior. This paper focuses on oxygen reaction processes which, apart from mechanical and thermal aspects, effect the tire durability. The material parameters needed to describe the temperature-dependent oxygen diffusion and reaction processes are derived by means of the time–temperature–superposition principle from modulus profiling tests. These experiments are designed to examine the diffusion-limited oxidation (DLO) effect which occurs when accelerated aging tests are performed. For the cord-reinforced rubber composites, homogenization techniques are adopted to obtain effective material parameters (diffusivities and reaction constants). The selection and arrangement of rubber components influence the temperature distribution and the oxygen penetration depth which impact tire durability. The goal of this paper is to establish a finite element analysis based criterion to predict lifetime with respect to oxidative aging. The finite element analysis is carried out in three stages. First the heat generation rate distribution is calculated using a viscoelastic material model. Then the temperature distribution can be determined. In the third step we evaluate the oxygen distribution or rather the oxygen consumption rate, which is a measure for the tire lifetime. Thus, the aging behavior of different kinds of tires can be compared. Numerical examples show how diffusivities, reaction coefficients, and temperature influence the durability of different tire parts. It is found that due to the DLO effect, some interior parts may age slower even if the temperature is increased.

Effects of Mn2+, Ni2+, and Cu2+ on the Formation and Transformation of Hydrosulfate Green Rust: Reaction Processes and Underlying Mechanisms

2019 ◽  
Vol 3 (4) ◽  
pp. 519-530 ◽  
Author(s):  
Xiaoming Wang ◽  
Jing Peng ◽  
Xiaoliang Liang ◽  
Mengqiang Zhu ◽  
Bruno Lanson ◽  
...  
Keyword(s):  
Green Rust ◽  
Underlying Mechanisms ◽  
Reaction Processes

Synthesis of sandwich type acyclic tetra-nuclear silver(I)-N-heterocyclic carbene complexes for wound healing applications

2020 ◽  
Vol 75 (9-10) ◽  
pp. 369-376
Author(s):  
Ayesha Riaz ◽  
Muhammad Adnan Iqbal ◽  
Haq Nawaz Bhatti ◽  
Muhammad Shahid
Keyword(s):  
Alkyl Halides ◽  
Wound Contraction ◽  
Spectroscopic Techniques ◽  
Open Chain ◽  
Standard Drug ◽  
Sandwich Type ◽  
Benzimidazolium Salts ◽  
Multistep Reaction

AbstractTwo meta-xylyl linked tetrakis-benzimidazolium salts (L1-L2) as multidentate ligands and two respective silver complexes (C1 and C2) were synthesized. A multistep reaction was done at room temperature, starting with simple benzimidazole and alkyl halides, going through precursors and salt formation by reflux and finally in situ deprotonation of tetrabenzimidazolium salts with Ag2O to yield respective tetra-nuclear Ag(I)-N-heterocyclic Carbene (NHC) complexes. Propyl and butyl groups were bonded at the terminal positions of tetra-azolium open chain salts. Characterization of compounds was done by analytical and spectroscopic techniques. On the basis of spectroscopic data, a chemical structure with open chains having four Ag(I) ions sandwiched between NHC layers was established. Potential of synthesized complexes (C1 & C2) for wound contraction was evaluated and compared with standard wound contraction gel. Percentage wound contraction of both complexes was found very close to that of standard drug used in parallel.

scholarly journals Morphology Controlled Synthesis of γ-Al2O3 Nano-Crystallites in Al@Al2O3 Core–Shell Micro-Architectures by Interfacial Hydrothermal Reactions of Al Metal Substrates

Nanomaterials ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 310
Author(s):  
Dohyeon Han ◽  
Doohwan Lee
Keyword(s):  
Electrostatic Interactions ◽  
Heterogeneous Catalysts ◽  
Metal Substrate ◽  
Inorganic Anions ◽  
Core Shell ◽  
Hydroxyl Groups ◽  
Hydrothermal Reactions ◽  
Fine Control ◽  
Reaction Processes

Fine control of morphology and exposed crystal facets of porous γ-Al2O3 is of significant importance in many application areas such as functional nanomaterials and heterogeneous catalysts. Herein, a morphology controlled in situ synthesis of Al@Al2O3 core–shell architecture consisting of an Al metal core and a porous γ-Al2O3 shell is explored based on interfacial hydrothermal reactions of an Al metal substrate in aqueous solutions of inorganic anions. It was found that the morphology and structure of boehmite (γ-AlOOH) nano-crystallites grown at the Al-metal/solution interface exhibit significant dependence on temperature, type of inorganic anions (Cl−, NO3−, and SO42−), and acid–base environment of the synthesis solution. Different extents of the electrostatic interactions between the protonated hydroxyl groups on (010) and (001) facets of γ-AlOOH and the inorganic anions (Cl−, NO3−, SO42−) appear to result in the preferential growth of γ-AlOOH toward specific crystallographic directions due to the selective capping of the facets by adsorption of the anions. It is hypothesized that the unique Al@Al2O3 core–shell architecture with controlled morphology and exposed crystal-facets of the γ-Al2O3 shell can provide significant intrinsic catalytic properties with enhanced heat and mass transport to heterogeneous catalysts for applications in many thermochemical reaction processes. The direct fabrication of γ-Al2O3 nano-crystallites from Al metal substrate with in-situ modulation of their morphologies and structures into 1D, 2D, and 3D nano-architectures explored in this work is unique and can offer significant opportunities over the conventional methods.

scholarly journals Vitamin K-dependent carboxylase. Stoichiometry of carboxylation and vitamin K 2,3-epoxide formation.

1981 ◽  
Vol 256 (21) ◽  
pp. 11032-11035
Author(s):  
A.E. Larson ◽  
P.A. Friedman ◽  
J.W. Suttie
Keyword(s):  
Vitamin K ◽  
Epoxide Formation

Reaction processes between silver or zinc doped Pb–Sn solder and gold

1992 ◽  
Vol 8 (10) ◽  
pp. 930-937 ◽  
Author(s):  
C. R Hall ◽  
EI.-B. Hannech
Keyword(s):  
Reaction Processes

Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme

2015 ◽  
Vol 17 (40) ◽  
pp. 26955-26968 ◽  
Author(s):  
Toshio Asada ◽  
Kanta Ando ◽  
Koji Sakurai ◽  
Shiro Koseki ◽  
Masataka Nagaoka
Keyword(s):  
Free Energy ◽  
Energy Surface ◽  
Free Energy Surface ◽  
Efficient Approach ◽  
Reaction Processes ◽  
Dipole Response

An efficient approach to evaluate free energy gradients within the QM/MM framework has been proposed to clarify reaction processes on the free energy surface.

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