A Simple Method for Estimating Velocity Distributions in Swirling Flows

1994 ◽  
Vol 116 (4) ◽  
pp. 694-701
Author(s):  
D. Kinnear ◽  
P. A. Davidson
Keyword(s):  
Scaling Laws ◽  
Numerical Approach ◽  
Structural Features ◽  
Integral Approach ◽  
Simple Method ◽  
Numerical Solution Methods ◽  
Wide Range ◽  
Solution Methods ◽  
High Reynolds ◽  
Momentum Integral

We describe the important structural features of swirling recirculating flows induced by a rotating boundary. A knowledge of this structure has allowed us to match the core flow to the boundary layer using a momentum-integral technique. In particular, we derive a single integral-differential equation, valid for any shape of container, which predicts the distribution of swirl, secondary recirculation, and wall shear stress. This momentum-integral approach has been applied to three cases: flow between parallel disks; flow in a cone; and flow in a hemisphere. The results compare favorably with published experimental data, and with computed numerical results. Our momentum-integral approach complements numerical solution methods. For simple geometries all the important information can, in principle, be derived using the momentum-integral approach, and this is particularly useful for establishing the scaling laws. In more complex geometries a numerical approach may be more appropriate. However, even in such cases, the scaling laws derived using the momentum-integral analysis are still useful as they allow extrapolation of a single computation to a wide range of high Reynolds number flows.

pH-Dependent Thermal Stability of Vibrio cholerae L-asparaginase

2019 ◽  
Vol 26 (10) ◽  
pp. 743-750 ◽  
Author(s):  
Remya Radha ◽  
Sathyanarayana N. Gummadi
Keyword(s):  
Vibrio Cholerae ◽  
Conformational Changes ◽  
Kinetic Studies ◽  
Structural Features ◽  
Structure Stability ◽  
Kcal Mole ◽  
Scanning Calorimetry ◽  
Wide Range ◽  
Ph Dependent ◽  
Ph Range

Background:pH is one of the decisive macromolecular properties of proteins that significantly affects enzyme structure, stability and reaction rate. Change in pH may protonate or deprotonate the side group of aminoacid residues in the protein, thereby resulting in changes in chemical and structural features. Hence studies on the kinetics of enzyme deactivation by pH are important for assessing the bio-functionality of industrial enzymes. L-asparaginase is one such important enzyme that has potent applications in cancer therapy and food industry.Objective:The objective of the study is to understand and analyze the influence of pH on deactivation and stability of Vibrio cholerae L-asparaginase.Methods:Kinetic studies were conducted to analyze the effect of pH on stability and deactivation of Vibrio cholerae L-asparaginase. Circular Dichroism (CD) and Differential Scanning Calorimetry (DSC) studies have been carried out to understand the pH-dependent conformational changes in the secondary structure of V. cholerae L-asparaginase.Results:The enzyme was found to be least stable at extreme acidic conditions (pH< 4.5) and exhibited a gradual increase in melting temperature from 40 to 81 °C within pH range of 4.0 to 7.0. Thermodynamic properties of protein were estimated and at pH 7.0 the protein exhibited ΔG37of 26.31 kcal mole-1, ΔH of 204.27 kcal mole-1 and ΔS of 574.06 cal mole-1 K-1.Conclusion:The stability and thermodynamic analysis revealed that V. cholerae L-asparaginase was highly stable over a wide range of pH, with the highest stability in the pH range of 5.0–7.0.

Application of Nitrogen Heterocyclic Carbenes in Organocatalysis

2020 ◽  
Vol 09 ◽  
Author(s):  
Minita Ojha ◽  
R. K. Bansal
Keyword(s):  
Asymmetric Catalysis ◽  
Building Blocks ◽  
Structural Features ◽  
Heterocyclic Carbenes ◽  
Stetter Reaction ◽  
Metal Pollutants ◽  
Synthetic Strategy ◽  
Wide Range ◽  
Benzoin Condensation ◽  
Nitrogen Heterocyclic

Background: During the last two decades, horizon of research in the field of Nitrogen Heterocyclic Carbenes (NHC) has widened remarkably. NHCs have emerged as ubiquitous species having applications in a broad range of fields, including organocatalysis and organometallic chemistry. The NHC-induced non-asymmetric catalysis has turned out to be a really fruitful area of research in recent years. Methods: By manipulating structural features and selecting appropriate substituent groups, it has been possible to control the kinetic and thermodynamic stability of a wide range of NHCs, which can be tolerant to a variety of functional groups and can be used under mild conditions. NHCs are produced by different methods, such as deprotonation of Nalkylhetrocyclic salt, transmetallation, decarboxylation and electrochemical reduction. Results: The NHCs have been used successfully as catalysts for a wide range of reactions making a large number of building blocks and other useful compounds accessible. Some of these reactions are: benzoin condensation, Stetter reaction, Michael reaction, esterification, activation of esters, activation of isocyanides, polymerization, different cycloaddition reactions, isomerization, etc. The present review includes all these examples published during the last 10 years, i.e. from 2010 till date. Conclusion: The NHCs have emerged as versatile and powerful organocatalysts in synthetic organic chemistry. They provide the synthetic strategy which does not burden the environment with metal pollutants and thus fit in the Green Chemistry.

scholarly journals Ring-Forming Polymerization toward Perfluorocyclobutyl and Ortho-Diynylarene-Derived Materials: From Synthesis to Practical Applications

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1486
Author(s):  
Eugene B. Caldona ◽  
Ernesto I. Borrego ◽  
Ketki E. Shelar ◽  
Karl M. Mukeba ◽  
Dennis W. Smith
Keyword(s):  
Chemical Resistance ◽  
Structural Features ◽  
Review Article ◽  
Aryl Ether ◽  
Aromatic Rings ◽  
Practical Applications ◽  
Repeat Units ◽  
Wide Range ◽  
Synthetic Routes ◽  
The Cost

Many desirable characteristics of polymers arise from the method of polymerization and structural features of their repeat units, which typically are responsible for the polymer’s performance at the cost of processability. While linear alternatives are popular, polymers composed of cyclic repeat units across their backbones have generally been shown to exhibit higher optical transparency, lower water absorption, and higher glass transition temperatures. These specifically include polymers built with either substituted alicyclic structures or aromatic rings, or both. In this review article, we highlight two useful ring-forming polymer groups, perfluorocyclobutyl (PFCB) aryl ether polymers and ortho-diynylarene- (ODA) based thermosets, both demonstrating outstanding thermal stability, chemical resistance, mechanical integrity, and improved processability. Different synthetic routes (with emphasis on ring-forming polymerization) and properties for these polymers are discussed, followed by their relevant applications in a wide range of aspects.

scholarly journals Predicting specific impulse distributions for spherical explosives in the extreme near-field using a Gaussian function

2021 ◽  
pp. 204141962199349
Author(s):  
Jordan J Pannell ◽  
George Panoutsos ◽  
Sam B Cooke ◽  
Dan J Pope ◽  
Sam E Rigby
Keyword(s):  
Scaling Laws ◽  
Near Field ◽  
Specific Impulse ◽  
Gaussian Function ◽  
Data Driven ◽  
Blast Load ◽  
Structural Deformation ◽  
Load Prediction ◽  
Validation Data ◽  
Wide Range

Accurate quantification of the blast load arising from detonation of a high explosive has applications in transport security, infrastructure assessment and defence. In order to design efficient and safe protective systems in such aggressive environments, it is of critical importance to understand the magnitude and distribution of loading on a structural component located close to an explosive charge. In particular, peak specific impulse is the primary parameter that governs structural deformation under short-duration loading. Within this so-called extreme near-field region, existing semi-empirical methods are known to be inaccurate, and high-fidelity numerical schemes are generally hampered by a lack of available experimental validation data. As such, the blast protection community is not currently equipped with a satisfactory fast-running tool for load prediction in the near-field. In this article, a validated computational model is used to develop a suite of numerical near-field blast load distributions, which are shown to follow a similar normalised shape. This forms the basis of the data-driven predictive model developed herein: a Gaussian function is fit to the normalised loading distributions, and a power law is used to calculate the magnitude of the curve according to established scaling laws. The predictive method is rigorously assessed against the existing numerical dataset, and is validated against new test models and available experimental data. High levels of agreement are demonstrated throughout, with typical variations of <5% between experiment/model and prediction. The new approach presented in this article allows the analyst to rapidly compute the distribution of specific impulse across the loaded face of a wide range of target sizes and near-field scaled distances and provides a benchmark for data-driven modelling approaches to capture blast loading phenomena in more complex scenarios.

Path Integral Calculations of Particle Self-Energy and Effective Mass in Coulomb Systems

1997 ◽  
Vol 11 (04) ◽  
pp. 129-138 ◽  
Author(s):  
V. Sa-Yakanit ◽  
V. D. Lakhno ◽  
Klaus Haß
Keyword(s):  
Effective Mass ◽  
Path Integral ◽  
State Energy ◽  
Coulomb Systems ◽  
Integral Approach ◽  
Coupling Region ◽  
Self Energy ◽  
Consistent Approximation ◽  
A Value ◽  
Wide Range

The generalized path integral approach is applied to calculate the ground state energy and the effective mass of an electron-plasmon interacting system for a wide range of densities. It is shown that in the self-consistent approximation an abrupt transition between the weak coupling and the strong coupling region of interaction exists. The transition occurs at low electron densities according to a value of 418 for rs, when Wigner crystallization is possible. For densities of real metals, the electron bandwidth is calculated and a comparison with experimental results is given.

Nonlinear solution of the reaction–diffusion equation using a two-step third–fourth-derivative block method

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Oluwaseun Adeyeye ◽  
Ali Aldalbahi ◽  
Jawad Raza ◽  
Zurni Omar ◽  
Mostafizur Rahaman ◽  
...  
Keyword(s):  
Diffusion Equation ◽  
Reaction Diffusion ◽  
Numerical Approach ◽  
Reaction Diffusion Equations ◽  
Reaction Diffusion Equation ◽  
Block Method ◽  
Wide Range ◽  
Higher Derivatives ◽  
Fourth Derivative ◽  
Improved Accuracy

AbstractThe processes of diffusion and reaction play essential roles in numerous system dynamics. Consequently, the solutions of reaction–diffusion equations have gained much attention because of not only their occurrence in many fields of science but also the existence of important properties and information in the solutions. However, despite the wide range of numerical methods explored for approximating solutions, the adoption of block methods is yet to be investigated. Hence, this article introduces a new two-step third–fourth-derivative block method as a numerical approach to solve the reaction–diffusion equation. In order to ensure improved accuracy, the method introduces the concept of nonlinearity in the solution of the linear model through the presence of higher derivatives. The method obtained accurate solutions for the model at varying values of the dimensionless diffusion parameter and saturation parameter. Furthermore, the solutions are also in good agreement with previous solutions by existing authors.

Zeolates: A Coordination Chemistry View of Metal-Ligand Bonding in Intrazeolite MOCVD Type Precursors and Semiconductor Nanoclusters

1992 ◽  
Vol 277 ◽  
Author(s):  
Geoffrey A. Ozin ◽  
Carol L. Bowes ◽  
Mark R. Steele
Keyword(s):  
Self Assembly ◽  
Materials Science ◽  
Zeolite Y ◽  
Chemical Vapour ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Organic Chemical ◽  
Wide Range ◽  
Shape Selective

ABSTRACTVarious MOCVD (metal-organic chemical vapour deposition) type precursors and their self-assembled semiconductor nanocluster products [1] have been investigated in zeolite Y hosts. From analysis of in situ observations (FTIR, UV-vis reflectance, Mössbauer, MAS-NMR) of the reaction sequences and structural features of the precursors and products (EXAFS and Rietveld refinement of powder XRD data) the zeolite is viewed as providing a macrospheroidal, multidendate coordination environment towards encapsulated guests. By thinking about the α- and β-cages of the zeolite Y host effectively as a zeolate ligand composed of interconnected aluminosilicate “crown ether-like” building blocks, the materials chemist is able to better understand and exploit the reactivity and coordination properties of the zeolite internal surface for the anchoring and self-assembly of a wide range of encapsulated guests. This approach helps with the design of synthetic strategies for creating novel guest-host inclusion compounds having possible applications in areas of materials science such as nonlinear optics, quantum electronics, and size/shape selective catalysis.

An Investigation Into the Compliance of SCARA Robots. Part II: Experimental and Numerical Validation

1988 ◽  
Vol 110 (1) ◽  
pp. 23-30 ◽  
Author(s):  
H. A. ElMaraghy ◽  
B. Johns
Keyword(s):  
Elastic Compliance ◽  
Servo Control ◽  
Compliance Matrix ◽  
End Effector ◽  
Prismatic Parts ◽  
Numerical Solution Methods ◽  
Solution Methods ◽  
Using Data ◽  
Assembly Performance ◽  
Robot Configurations

A model of inherent elastic compliance was developed for general position-controlled SCARA, with conventional joint feedback control, for both rotational and prismatic part insertion (Part I). The developed model was applied to the SKILAM and ADEPT I robots for validation. Experimental procedures and numerical solution methods are described. It was found that the ADEPT I robot employs a coupled control strategy between joints one and two which produces a constant, decoupled end effector compliance. The applicable compliance matrix, in this case, is presented and the experimental results are discussed. The model may be used to develop compliance maps that define the amount of end effector compliance, as a function of the joints compliance, as well as its variation for different robot configurations. This is illustrated using data for the SKILAM SCARA robot. Results are plotted and discussed. The most appropriate robot postures for assembly were found for both rotational and prismatic parts. The conditions necessary to achieve compliance or semicompliance centers with the SKILAM robot were examined. The results and methods demonstrated in these examples may be used to select appropriate robots for given applications. They can also guide robot designers in selecting joint servo-control gains to obtain the desired joints compliance ratio and improve assembly performance.

scholarly journals Dispersive evaluation and surface chemistry of advanced, multifunctional silica/lignin hybrid biomaterials

2013 ◽  
Vol 11 (11) ◽  
pp. 1860-1873 ◽  
Author(s):  
Magdalena Nowacka ◽  
Łukasz Klapiszewski ◽  
Małgorzata Norman ◽  
Teofil Jesionowski
Keyword(s):  
Zeta Potential ◽  
Surface Charge ◽  
Electrochemical Sensors ◽  
Relevant Information ◽  
Structural Features ◽  
Kraft Lignin ◽  
Morphological Properties ◽  
Wide Range ◽  
Hybrid Biomaterials

AbstractAdvanced silica/lignin hybrid biomaterials were obtained using hydrated or fumed silicas (Aerosil®200) and Kraft lignin as precursors, which is a cheap and biodegradable natural polymer. To extend the possible range of applications, the silicas were first modified with N-2-(aminoethyl)-3-aminopropyltrimethoxsysilane, and then with Kraft lignin, which had been oxidized with sodium periodate. The SiO2/lignin hybrids and precursors were characterised by means of determination of their physicochemical and dispersive-morphological properties. The effectiveness of silica binding to lignin was verified by FT-IR spectroscopy. The zeta potential value provides relevant information regarding interactions between colloid particles. Measurement of the zeta potential values enabled an indirect assessment of stability for the studied hybrid systems. Determination of zeta potential and density of surface charge also permitted the quantitative analysis of changes in surface charge, and indirectly confirmed the effectiveness of the proposed method for synthesis of SiO2/lignin hybrid materials. A particularly attractive feature for practical use is their stability, especially electrokinetic stability. It is expected that silica/lignin hybrids will find a wide range of applications (polymer fillers, biosorbents, electrochemical sensors), as they combine the unique properties of silica with the specific structural features of lignin. This makes these hybrids biomaterials advanced and multifunctional.

Engineering the shape of Zinc Oxide crystals via sonochemical or hydrothermal solution-based methods

2008 ◽  
Vol 1087 ◽  
Author(s):  
Marco Palumbo ◽  
Simon J. Henley ◽  
Thierry Lutz ◽  
Vlad Stolojan ◽  
David Cox ◽  
...  
Keyword(s):  
Zinc Oxide ◽  
Self Assembly ◽  
Hydrothermal Solution ◽  
Good Control ◽  
Transparent Conductors ◽  
Zno Nanostructures ◽  
Large Area ◽  
Light Emitting Devices ◽  
Wide Range ◽  
Solution Methods

AbstractRecent results in the use of Zinc Oxide (ZnO) nano/submicron crystals in fields as diverse as sensors, UV lasers, solar cells, piezoelectric nanogenerators and light emitting devices have reinvigorated the interest of the scientific community in this material. To fully exploit the wide range of properties offered by ZnO, a good understanding of the crystal growth mechanism and related defects chemistry is necessary. However, a full picture of the interrelation between defects, processing and properties has not yet been completed, especially for the ZnO nanostructures that are now being synthesized. Furthermore, achieving good control in the shape of the crystal is also a very desirable feature based on the strong correlation there is between shape and properties in nanoscale materials. In this paper, the synthesis of ZnO nanostructures via two alternative aqueous solution methods - sonochemical and hydrothermal - will be presented, together with the influence that the addition of citric anions or variations in the concentration of the initial reactants have on the ZnO crystals shape. Foreseen applications might be in the field of sensors, transparent conductors and large area electronics possibly via ink-jet printing techniques or self-assembly methods.

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