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111.
Present study involves the investigation of the esterification kinetics between butyric acid and n-butanol. This reaction was conducted in a batch reactor, utilizing homogeneous methanesulfonic acid (MSA) catalyst. Response surface methodology (RSM) was conducted prior to the kinetic study using “Design Expert; version-11.0” for finding the causal factors influencing the conversion of butyric acid. Most important factors identified with their limits against conversions (during optimization of the process using RSM) were taken up to critically analyze the effect of them on butyric acid conversion. Concentration and activity-based model of the process were proposed assuming second order reversible reaction scheme using homogeneous MSA catalyst. During the study of non-ideal behavior of the system, UNIFAC model was adapted for assessing the activity coefficients of species present in equilibrated liquid phase. Experimental data were used to evaluate kinetic and thermodynamic parameters such as rate constants, activation energy, enthalpy, and entropy of the system. The endothermic nature of esterification was confirmed by positive value of enthalpy obtained. The effect of various levels of causal variables like temperature (60–90°C), catalyst concentration (0.5–1.5 wt.%), and molar ratio of n-butanol to butyric acid (1–3) on conversion kinetics of butyric acid was investigated during transient and equilibrium phase of the reaction. It has been observed that molar ratio of butanol to butyric acid has the highest influence on the conversion. The rate equation derived offered a kinetic and thermodynamic framework to the generated data. It also exhibits a notable degree of conformity of predicted data to the experimental ones and effectively characterizes the system across different reaction temperatures, reactant molar ratio, and catalyst concentration. 相似文献
112.
Numerical modelling of the ultrasonic wave propagation is important for Structural Heath Monitoring and System Prognosis problems. In order to develop intelligent and adaptive structures with embedded damage detector and classifier mechanisms, detailed understanding of scattered wave fields due to anomaly in the structure is inevitably required. A detailed understanding of the problem demands a good modelling of the wave propagation in the problem geometry in virtual form. Therefore, efficient analytical, semi-analytical or numerical modelling techniques are required. In recent years a semi-analytical mesh-free technique called Distributed Point Source Method (DPSM) is being used for modelling various ultrasonic, electrostatic and electromagnetic wave field problems. In the conventional DPSM approach point sources are placed along the transducer faces, problem boundaries and interfaces to model incident and scattered fields. Every point source emits energy in all directions uniformly. Source strengths of these 360° radiation sources are obtained by satisfying interface and boundary conditions of the problem. In conventional DPSM modelling approach it is assumed that the shadow zone does not require any special consideration. 360° Radiation point sources should be capable of properly modelling shadow zones because all boundary and interface conditions are satisfied. In this paper it is investigated how good this assumption is by introducing the ‘shadow zone’ concept at the point source level and comparing the results generated by the conventional DPSM and by this modified approach where the conventional 360° radiation point sources are replaced by the Controlled Space Radiation (CSR) sources. 相似文献
113.
Combination of CuI and Catechol violet (CuI-CV) was employed as catalyst for the first time in the C-S coupling reaction of a wide variety of aromatic halides, such as aryl iodides, bromo pyridines, activated aryl chlorides, and vinyl iodide with thiols to afford the corresponding thioethers in good to excellent yields. Broad range of functional group tolerance present in both the coupling partners has been observed in this reaction protocol. 相似文献
114.
Manab Kundu Sourindra Mahanty Rajendra Nath Basu 《Electrochemistry communications》2009,11(7):1389-1392
LiSbO3 has been synthesized by chemical mixing followed by thermal treatment at 800 °C. Field emission scanning electron microscopy revealed bar shaped multifaceted grains, 0.5–4 μm long and 0.5–1 μm wide, that cluster together as soft agglomeration. 2032 type coin cell vs Li/Li+ shows a flat charge–discharge plateau together with low Li intercalation/de-intercalation potential (0.2/0.5 V). A high discharge capacity of 580 mA h g?1 has been obtained in the 1st cycle with 100% Coulombic efficiency. About 96% of the Coulombic efficiency is retained up to the 12th cycle, but at the 15th cycle, the Coulombic efficiency drops down to 88%. AC impedance spectroscopy shows an increase in electrolyte resistance (Rs) from 4.43 Ohm after the initial cycle to 12.4 Ohm after the 15th cycle indicating a probable dissolution of Sb into the electrolyte causing the capacity fading observed. 相似文献
115.
Kamlesh Kumari K. K. Raina P. P. Kundu 《Journal of Thermal Analysis and Calorimetry》2009,98(2):469-476
The curing of chitosan–alanine with glutaraldehyde as curing agent in the presence of Chlorpheniramine Maleate (CPM) is carried out with the help of differential scanning calorimeter (DSC). The effect of concentration of chitosan and percentage of crosslinker on the curing is studied at a rate of 5 °C/min. Cure kinetics are measured from 30 to 200 °C at four different heating rates (3, 5, 7 and 10 °C/min). It is observed that the crosslinking of chitosan–alanine is an exothermic process which results in a positive peak in the curves. An increase in activation energy (E α) is observed with extent of conversion. 相似文献
116.
The present study aims to derive an analytical model on bed-load layer thickness in an open channel turbulent flow carrying sediments. Determination of the thickness of the bed-load layer is of utmost importance in the study of bed-load transport as it is required to determine the bed-load transport rate, as well as in the study of suspended load transport as it acts as reference level for the particles in suspension. Apart from the several deterministic approaches available in the literature, the work adopts probabilistic approach based on entropy theory to determine the bed-load layer thickness. The concept of entropy theory developed by Shannon is used and the method of Lagrange multipliers is employed for the maximization of entropy function to find the least biased probability distribution. To calculate the Lagrange multipliers, present in the probabilistic model of dimensionless bed-load layer thickness, two different methodologies are presented. The model of bed-load layer thickness is a function of dimensionless shear stress and also depends on three other parameters which are found to be functions of specific gravity of sediment particle and dimensionless particle diameter from a non-linear regression analysis. The proposed model is validated with wide sets of experimental data available in literature and a good agreement is achieved. Apart from comparison with data, the model is also compared with existing deterministic model and computation of relative percentage error proves the better efficiency of the present model. 相似文献
117.
Debolina Misra Tarun Kumar Kundu 《The European Physical Journal B - Condensed Matter and Complex Systems》2017,90(7):135
A density functional theory + Hubbard U (DFT+U) method is implemented to investigate the catalytic activity of lanthanum nickelate (LaNiO3) for oxygen reduction reaction. Comparison of the surface energies of different LaNiO3 surfaces shows that {001} surface has the lowest surface energy and hence maximum stability. Two possible terminations of the {001} surface namely LaO and NiO2 are considered to carry out all our DFT calculations. Calculation of bond lengths of the atoms near the surface and adsorption energies for the reaction intermediates revealed that LaO terminated {001} surface is unstable for the process of OOH adsorption and hence not preferred for the oxygen reduction reaction. However, NiO2 terminated {001} surface shows excellent catalytic activity for adsorption of all the reaction intermediates and hence is a favourable surface for reactions to occur. Superiority of the NiO2 terminated {001} surface as catalyst over the LaO terminated one, is also confirmed from the total and partial density of states of the surfaces in presence of the adsorbates, which also shows that the desorption rate of the reaction intermediates is low in case of LaO terminated {001} surface compared to the NiO2 terminated one. 相似文献
118.
Acoustic source localization 总被引:1,自引:0,他引:1
In this article different techniques for localizing acoustic sources are described and the advantages/disadvantages of these techniques are discussed. Some source localization techniques are restricted to isotropic structures while other methods can be applied to anisotropic structures as well. Some techniques require precise knowledge of the direction dependent velocity profiles in the anisotropic body while other techniques do not require that knowledge. Some methods require accurate values of the time of arrival of the acoustic waves at the receivers while other techniques can function without that information. Published papers introducing various techniques emphasize the advantages of the introduced techniques while ignoring and often not mentioning the limitations and weaknesses of the new techniques. What is lacking in the literature is a comprehensive review and comparison of the available techniques; this article attempts to do that. After reviewing various techniques the paper concludes which source localization technique should be most effective for what type of structure and what the current research needs are. 相似文献
119.
Aravind Kumar Rengan Gopal Kundu Rinti Banerjee Rohit Srivastava 《Particle & Particle Systems Characterization》2014,31(3):398-405
Numerous gold nanostructures have the potential for photothermal therapy in cancers. Here, gold nanocages and gold nanoshells are synthesized, the sizes of which are fine‐tuned for a response at 750 nm wavelength. Their photothermal therapeutic efficiency is compared at gold concentration of 100 lg mL?1 using a near‐infrared laser (750 nm). The biocompatibility for varying concentrations of gold (1 to 100 lg mL?1) is performed in a normal cell line and laser‐mediated cell cytotoxicity for varying time intervals (7.5 and 10 min) is carried out in breast cancer cells. This study shows that when analyzed under similar conditions, the gold nanocages show better biocompatibility and are more efficient in near‐infrared absorption and photothermal conversion in comparison with conventional gold nanoshells. When subjected to photothermal laser ablation of breast cancer cell line for 7.5 min and 10 min, the nanocages are able to induce 62.92 ± 3.25% and 96.41 ± 3.04% reduction in cell viability, respectively, in comparison to nanoshells, in which a 43.35 ± 1.91% and 79.89 ± 4.74% reduction in cell viability is observed. The current study shows that the gold nanocages can outperform gold nanoshells and effectively kill cancer cells without any significant cytotoxic effect on normal cells. 相似文献
120.