14 resultados para 3D QSAR, heat of formation, LUMO, antibacterial agent, aryloxazolidinone
em Cochin University of Science
Resumo:
The cure characteristics and mechanical properties of short nylon fiber- styrene /whole tyre reclaim (SBR/WTR) composites with and without an interfacial bonding agent based on 4,4 diphenyl methane diisocyanate and polyethylene glycol (MDI/PEG) have been studied. An 80:40 blend of SBR/ WTR reinforced with 20 phr of short nylon fiber has been selected and the MDI/ PEG ratio has been changed from 0.67:1 to 2:1. The minimum and maximum torques increased with isocyanate concentration. The scorch time and cure time showed an initial reduction. The cure rate showed an initial improvement. Tensile strength, tear strength and abrasion resistance increased with MDI/PEG ratio, these values were higher in longitudinal direction. Resilience and compression set increased with isocyanate concentration.
Resumo:
ZnO thin films were coated on amorphous glass substrate at various temperatures in the range 160-500 0C by spray pyrolysis method. The as deposited films were characterised by using XRD and SEM. Wurtzite phase of ZnO was formed at a substrate temperature of 400 0C, highly oriented (002) phase was developed with respect to increase of substrate temperature from 450 to 500 0C. Morphological and growth mode of these films were analyzed with respect to structural orientation of films from wurtzite to highly (002) oriented phase. Present study reveals that substrate temperature was one of the important parameters which determine the crystalline quality, population of defects, grain size, orientation and morphology of the films
Resumo:
The rheological characteristics of short Nylon-6 fiber-reinforced Styrene Butadiene rubber (SBR) in the presence of epoxy resin-based bonding agent were studied with respect to the effect of shear rate, fiber concentration , and temperature on shear viscosity and die swell using a capillary rheonzeter. All the composites containing bonding agent showed a pseudoplastic nature, which decreased with increasing temperature. Shear viscosity was increased in the presence of fibers. The temperature sensitivity of the SBR matrices was reduced on introduction of fibers. The temperature sensitivity of the melts was found to be lower at higher shear rates. Die swell was reduced in the presence of fibers. Relative viscosity of the composites increased with shear rate. In the presence of epoxy resin bonding agent the temperature sensitivity of the mixes increased. Die swell was larger in the presence of bonding agent.
Resumo:
The thesis describes utilisation of reclaimed rubber, Whole Tyre Reclaim (WTR) produced from bio non- degradable solid pollutant scrap and used tyres. In this study an attempt has made to optimize the substitution of virgin rubber with WTR in both natural and synthetic rubber compounds without seriously compromising the important mechanical properties. The WTR is used as potent source of rubber hydrocarbon and carbon black filler. Apart from natural rubber (NR), Butadiene rubber (BR), Styrene butadiene rubber (SBR), Acrylonitrile butadiene rubber (NBR) and Chloroprene rubber (CR) were selected for study, being the most widely used general purpose and specialty rubbers. The compatibility problem was addressed by functionalisation of WTR with maleic anhydride and by using a coupling agent Si69.The blends were systematically evaluated with respect to various mechanical properties. The thermogravimetric analyses were also carried out to evaluate the thermal stability of the blends.Mechanical properties of the blends were property and matrix dependant. Presence of reinforcing carbon black filler and curatives in the reclaimed rubber improved the mechanical properties with the exception of some of the elastic properties like heat build up, resilience, compression set. When WTR was blended with natural rubber and synthetic rubbers, as the concentration of the low molecular weight, depolymerised WfR was increased above 46-weight percent, the properties deteriorates.When WTR was blended with crystallizing rubbers such as natural rubber and chloroprene rubber, properties like tensile strength, ultimate elongation were decreased in presence of WTR. Where as in the case of blends of WTR with non-crystallizing rubbers reinforcement effect was more prominent.The effect of functionalisation and coupling agent was studied in three matrices having different levels of polarity(NBR, CR and SBR).The grafting of maleic anhydride on to WTR definitely improved the properties of its blends with NBR, CR and SBR, the effect being prominent in Chloroprene rubber.Improvement in properties of these blends could also achieved by using a coupling agent Si69. With this there is apparent plasticizing effect at higher loading of the coupling agent. The optimum concentration of Si69 was 1 phr for improved properties, though the improvements are not as significant as in the case of maleic anhydride grafting.Thermal stability of the blend was increased by using silane-coupling agent.
Resumo:
Natural rubber/isora fibre composites were cured at various temperatures. The solvent swelling characteristics of natural rubber composites containing both untreated and alkali treated fibres were investigated in aromatic and aliphatic solvents like toluene, and n-hexane. The diffusion experiments were conducted by the sorption gravimetric method. The restrictions on elastomer swelling exerted by isora fibre as well as the anisotropy of swelling of the composite have been confirmed by this study. Composite cured at 100°C shows the lowest percentage swelling. The uptake of aromatic solvent is higher than that of aliphatic solvent for the composites cured at all temperatures. The effect of fibre loading on the swelling behaviour of the composite was also investigated in oils like petrol, diesel, lubricating oil etc. The % swelling index and swelling coefficient of the composite were found to decrease with increase in fibre loading. This is due to the increased hindrance exerted by the fibres at higher fibre loadings and also due to the good fibre-rubber interactions. Maximum uptake of solvent was observed with petrol followed by diesel and then lubricating oil. The presence of bonding agent in the composites restrict the swelling considerably due to the strong interfacial adhesion. At a fixed fibre loading, the alkali treated fibre composite showed lower percentage swelling compared to the untreated one.
Resumo:
The thermal properties of short Nylon-6 fiber-reinforced Styrene butadiene rubber (SBR) composites were studied by Thermogravimetric Analysis (TGA). The effect of epoxy-based bonding agent on thermal degradation of the gum and the composites was also studied. The thermal stability of the SBR was enhanced in the presence of Nylon-6 fibers and the stability of the composites increased in the presence of bonding agent. The epoxy resin did not significantly change the thermal stability of SBR gum vulcanizate. Results of kinetic studies showed that the degradation of SBR and the short nylon fiber-reinforced composites with and without bonding agents followed first-order kinetics.
Resumo:
The present research is aimed at studying the charnockites and associated rocks of the Madurai Granulite Block (MGB), especially in terms of their field settings, texture, mineralogy, and mineral chemistry analyzing their petrogenesis with the help of thermobarometrical studies and geochronological constraints. The mechanism of charnockitization by the influx of CO2 rich fluids and its relation to the graphite mineralization is actually a matter of discussion and study. The objectives of the present study are, to delineate petrological and structural relationship of charnockites and associated gneissic rocks, to study the field and petrogenetic aspects of graphite mineralization in the MGB, to establish and re-evaluate the P-T conditions of formation of the rocks with the aid of thermbarometric computations and to compare with the earlier studies, characterization of graphite with XRD, Raman spectroscopy and isotope studies together with a search in to its genesis and its relation to the high-grade metamorphism of the terrain, to evaluate the role of CO2 bearing fluids in the processes of charnockitization as well as in the genesis of graphite within the high-grade terrain and to delineate the metamorphic geochronology of selected rocks using ‘monazite dating’ technique with EPMA.
Resumo:
The enthalpies of formation of charge-transfer complexes of benzene, chlorobenzene, and 1,3-dichlorobenzene as donors with 7,7,8,8-tetracyanoquinodimethane as acceptor were determined. The thermochemical data show an increased stability of charge-transfer complexes of donors with permanent dipole moment. The results confirm the importance of electrostatic forces in bonding and stabilizing weak complexes. The approximate formation constants of the complexes are also reported.
Resumo:
The density of states and the low temperature specific heat of higb-Tc superconductors are calculated in a functional integral formalism using the slave boson technique. The manybody calculation in a saddle point approximation shows that the Iow energy sector is dominated by 3 single band. The calculated values of density of states are in good agreement with experimental results.
Resumo:
A detailed survey of the present knowledge on the physical aspects of the mud banks has been presented in chapter 1.The physical geographical and geological aspects of the kerala coast, the shore-line and the sea bed and the various views on the formation,movements and dissipation of the mud banks have been discussed.The scope of the present work and a description of the area of study have also been given in this chapter. The horizontal and vertical distribution and the seasonal variations of the concentration of suspended matter in the mud bank region are discussed in chapter 3.it is seen that the mud bank reses above the bottom in the form of a ridged ,irregular,solid come with a flat top. Chapter vi deals with waves and currents in the region of the mud bank. The orientation of the breakers on either side of the mud bank suggests the possibility of formation of opposing alongshore currents and convergence of energy caused by wave refraction.The distribution of currents during the formative nature and dissipating stages of the mud bank show that the converging alongshore currents give rise to offshore flows
Resumo:
There is no baseline data available at present on the nature of various diseases that occur in a orchid population, under cultivation, in any commercial orchid farm maintained by small scale entrepreneurs who invest considerable amount of money, effort and time. The available data on type of disease symptoms, causative agent, , nature of pathogens, as to bacteria or ftmgi or any other biological agents, and their source, appropriate and effective control measures could not be devised, for large scale implementation and effective management, although arbitrary methods are being practiced by very few farms. Further influence of seasonal variations and environmental factors on disease outbreak is also not scientifically documented and statistically verified as to their authenticity. In this context, the primary objective of the present study was to create a data bank on the following aspects 1. Occurrence of different disease symptoms in Dendrobium hybrid over a period of one year covering all seasons 2. Variations in the environmental parameters at the orchid farms 3. Variations in the characteristics of water used for irrigation in the selected orchid farm 4. Microbial population associated with the various disease symptoms 5. Isolation and identification of bacteria isolated from diseased plants 6. Statistical treatment of the quantitative data and evolving statistical model
Resumo:
An alkaline protease gene (Eap) was isolated for the first time from a marine fungus, Engyodontium album. Eap consists of an open reading frame of 1,161 bp encoding a prepropeptide consisting of 387 amino acids with a calculated molecular mass of 40.923 kDa. Homology comparison of the deduced amino acid sequence of Eap with other known proteins indicated that Eap encode an extracellular protease that belongs to the subtilase family of serine protease (Family S8). A comparative homology model of the Engyodontium album protease (EAP) was developed using the crystal structure of proteinase K. The model revealed that EAP has broad substrate specificity similar to Proteinase K with preference for bulky hydrophobic residues at P1 and P4. Also, EAP is suggested to have two disulfide bonds and more than two Ca2? binding sites in its 3D structure; both of which are assumed to contribute to the thermostable nature of the protein.
Resumo:
An alkaline protease gene (Eap) was isolated for the first time from a marine fungus, Engyodontium album. Eap consists of an open reading frame of 1,161 bp encoding a prepropeptide consisting of 387 amino acids with a calculated molecular mass of 40.923 kDa. Homology comparison of the deduced amino acid sequence of Eap with other known proteins indicated that Eap encode an extracellular protease that belongs to the subtilase family of serine protease (Family S8). A comparative homology model of the Engyodontium album protease (EAP) was developed using the crystal structure of proteinase K. The model revealed that EAP has broad substrate specificity similar to Proteinase K with preference for bulky hydrophobic residues at P1 and P4. Also, EAP is suggested to have two disulfide bonds and more than two Ca2? binding sites in its 3D structure; both of which are assumed to contribute to the thermostable nature of the protein.
Resumo:
The creation of three-dimensionally engineered nanoporous architectures via covalently interconnected nanoscale building blocks remains one of the fundamental challenges in nanotechnology. Here we report the synthesis of ordered, stacked macroscopic three-dimensional (3D) solid scaffolds of graphene oxide (GO) fabricated via chemical cross-linking of two-dimensional GO building blocks. The resulting 3D GO network solids form highly porous interconnected structures, and the controlled reduction of these structures leads to formation of 3D conductive graphene scaffolds. These 3D architectures show promise for potential applications such as gas storage; CO2 gas adsorption measurements carried out under ambient conditions show high sorption capacity, demonstrating the possibility of creating new functional carbon solids starting with two-dimensional carbon layers