Full dimensional quantum calculations of the CH[sub 4]+H→CH[sub 3]+H[sub 2] reaction rate

2000 ◽  
Vol 113 (13) ◽  
pp. 5115 ◽  
Author(s):  
Fermı́n Huarte-Larrañaga ◽  
Uwe Manthe
Keyword(s):  
Reaction Rate ◽  
Quantum Calculations

scholarly journals The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): Six-dimensional quantum calculations

2005 ◽  
Vol 122 (23) ◽  
pp. 234702 ◽  
Author(s):  
Rob van Harrevelt ◽  
Karoliina Honkala ◽  
Jens K. Nørskov ◽  
Uwe Manthe
Keyword(s):  
Reaction Rate ◽  
Dissociative Adsorption ◽  
Quantum Calculations ◽  
Adsorption Of N2

Locating Al in the DABCO catalyst before and after Al extraction

1990 ◽  
Vol 48 (4) ◽  
pp. 265-267
Author(s):  
Kathleen B. Reuter
Keyword(s):  
Active Site ◽  
Inverse Relationship ◽  
Transverse Direction ◽  
Reaction Rate ◽  
Acid Phosphate ◽  
Fracture Surfaces ◽  
Al Content ◽  
Before And After ◽  
Relationship Of

The reaction rate and efficiency of piperazine to 1,4-diazabicyclo-octane (DABCO) depends on the Si/Al ratio of the MFI topology catalysts. The Al was shown to be the active site, however, in the Si/Al range of 30-200 the reaction rate increases as the Si/Al ratio increases. The objective of this work was to determine the location and concentration of Al to explain this inverse relationship of Al content with reaction rate.Two silicalite catalysts in the form of 1/16 inch SiO2/Al2O3 bonded extrudates were examined: catalyst A with a Si/Al of 83; and catalyst B, the acid/phosphate Al extracted form of catalyst A, with a Si/Al of 175. Five extrudates from each catalyst were fractured in the transverse direction and particles were obtained from the fracture surfaces near the center of the extrudate diameter. Particles were also obtained from the outside surfaces of five extrudates.

Direct observation of Fe-Al-Zn ternary intermetallic compound and its transformation during the early stage of hot-dip galvanizing

1993 ◽  
Vol 51 ◽  
pp. 1116-1117
Author(s):  
C. S. Lin ◽  
W. A. Chiou ◽  
M. Meshii
Keyword(s):  
Intermetallic Compound ◽  
Reaction Rate ◽  
Diffusion Rate ◽  
Early Stage ◽  
Zinc Bath ◽  
Steel Sheets ◽  
Direct Observations ◽  
Solid Iron ◽  
Iron And Zinc ◽  
Ternary Intermetallic Compound

The galvannealed steel sheets have received ever increased attention because of their excellent post-painting corrosion resistance and good weldability. However, its powdering and flaking tendency during press forming processes strongly impairs its performance. In order to optimize the properties of galvanneal coatings, it is critical to control the reaction rate between solid iron and molten zinc.In commercial galvannealing line, aluminum is added to zinc bath to retard the diffusion rate between iron and zinc by the formation of a thin layer of Al intermetallic compound on the surface of steel at initial hot-dip galvanizing. However, the form of this compound and its transformation are still speculated. In this paper, we report the direct observations of this compound and its transformation.The specimens were prepared in a hot-dip simulator in which the steel was galvanized in the zinc bath containing 0.14 wt% of Al at a temperature of 480 °C for 5 seconds and was quenched by liquid nitrogen.

Quantum calculations of inelastic scattering of HCN and HNC by Ar

1996 ◽  
Vol 88 (1) ◽  
pp. 21-32 ◽  
Author(s):  
JOEL BOWMAN ◽  
D.ANNAPURNA PADMAVATHI
Keyword(s):  
Inelastic Scattering ◽  
Quantum Calculations

Understanding the risks and rewards of using 50% vs. 10% strength peroxide in pulp bleach plants

TAPPI Journal ◽  
2018 ◽  
Vol 17 (11) ◽  
pp. 601-607
Author(s):  
Alan Rudie ◽  
Peter Hart
Keyword(s):  
Hydrogen Peroxide ◽  
Reaction Rate ◽  
The Other ◽  
Mechanical Pulp ◽  
Engineering Controls ◽  
Point Of Use ◽  
Process Failure

The use of 50% concentration and 10% concentration hydrogen peroxide were evaluated for chemical and mechanical pulp bleach plants at storage and at point of use. Several dangerous occurrences have been documented when the supply of 50% peroxide going into the pulping process was not stopped during a process failure. Startup conditions and leaking block valves during maintenance outages have also contributed to explosions. Although hazardous events have occurred, 50% peroxide can be stored safely with proper precautions and engineering controls. For point of use in a chemical bleach plant, it is recommended to dilute the peroxide to 10% prior to application, because risk does not outweigh the benefit. For point of use in a mechanical bleach plant, it is recommended to use 50% peroxide going into a bleach liquor mixing system that includes the other chemicals used to maintain the brightening reaction rate. When 50% peroxide is used, it is critical that proper engineering controls are used to mitigate any risks.

STUDYING THE KINETIC CHARACTERISTICS OF THE EXTRACTION OF ANTHOCYANINS FROM THE SQUEEZE OF KRASNOSTOP ZOLOTOVSKY

2020 ◽  
Author(s):  
M.A. Egyan ◽  
Keyword(s):  
Reaction Rate ◽  
Sugar Content ◽  
Extraction Process ◽  
Efficiency Coefficient ◽  
Kinetic Characteristics ◽  
Reaction Rate Constants ◽  
Solids Content ◽  
Kinetics Of ◽  
Process Speed

The article shows studies characterizing the quality of the squeeze: the mechanical composition of the squeeze is determined, the structural moisture of each component is determined, the sugar content in the formed process of sedimentation of the juice and its acidity are determined refractometrically. The kinetics of anthocyanins extraction was determined in two ways, the solids content in the extract was calculated, and the reaction rate constants of the extraction process and the efficiency coefficient of ultrasonic amplification of the extraction process speed were calculated.

Leaching Kinetics of Atrazine and Inorganic Chemicals in Tilled and Orchard Soils

2014 ◽  
Vol 28 (2) ◽  
pp. 231-237 ◽  
Author(s):  
Lech W. Szajdak ◽  
Jerzy Lipiec ◽  
Anna Siczek ◽  
Artur Nosalewicz ◽  
Urszula Majewska
Keyword(s):  
Reaction Rate ◽  
Inorganic Compounds ◽  
Model Performance ◽  
Order Reaction ◽  
First Order Reaction ◽  
Order Kinetic ◽  
Time Data ◽  
First Order ◽  
Concentration Changes ◽  
Reaction Constants

Abstract The aim of this study was to verify first-order kinetic reaction rate model performance in predicting of leaching of atrazine and inorganic compounds (K+1, Fe+3, Mg+2, Mn+2, NH4 +, NO3 - and PO4 -3) from tilled and orchard silty loam soils. This model provided an excellent fit to the experimental concentration changes of the compounds vs. time data during leaching. Calculated values of the first-order reaction rate constants for the changes of all chemicals were from 3.8 to 19.0 times higher in orchard than in tilled soil. Higher first-order reaction constants for orchard than tilled soil correspond with both higher total porosity and contribution of biological pores in the former. The first order reaction constants for the leaching of chemical compounds enables prediction of the actual compound concentration and the interactions between compound and soil as affected by management system. The study demonstrates the effectiveness of simultaneous chemical and physical analyses as a tool for the understanding of leaching in variously managed soils.

Droplet Factories: Synthesis and Assembly of Silver and Palladium Nanoparticles at the Liquid-Liquid Interface

2019 ◽  
Author(s):  
Suchanuch Sachdev ◽  
Rhushabh Maugi ◽  
Sam Davis ◽  
Scott Doak ◽  
Zhaoxia Zhou ◽  
...  
Keyword(s):  
Iron Oxide ◽  
Reaction Rate ◽  
Tertiary Structure ◽  
Flow Reactor ◽  
Pd Nanoparticles ◽  
Subsequent Removal ◽  
Immiscible Liquids ◽  
Flow Reactors ◽  
Droplet Flow ◽  
One Step

<div>The interface between two immiscible liquids represent an ideal substrate for the assembly of nanomaterials. The defect free surface provides a reproducible support for creating densely packed ordered materials. Here a droplet flow reactor is presented for the synthesis and/ or assembly of nanomaterials at the interface of the emulsion. Each droplet acts as microreactor for a reaction between decamethylferrocene (DmFc) within the hexane and metal salts (Ag+/ Pd2+) in the aqueous phase. The hypothesis was that a spontaneous, interfacial reaction would lead to the assembly of nanomaterials creating a Pickering emulsion. The subsequent removal of the solvents showed how the Ag nanoparticles were trapped at the interface and retain the shape of the droplet, however the Pd nanoparticles were dispersed with no tertiary structure. To further exploit this, a one-step process where the particles are synthesised and then assembled into core-shell materials was proposed. The same reactions were performed in the presence of oleic acid stabilise Iron oxide nanoparticles dispersed within the hexane. It was shown that by changing the reaction rate and ratio between palladium and iron oxide a continuous coating of palladium onto iron oxide microspheres can be created. The same reaction with silver, was unsuccessful and resulted in the silver particles being shed into solution, or incorporated within the iron oxide micro particle. These insights offer a new method and chemistry within flow reactors for the creation of palladium and silver nanoparticles. We use the technique to create metal coated iron oxide nanomaterials but the methodology could be easily transferred to the assembly of other materials.</div><div><br></div>

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