Bibliografías temáticas / Silicone compounds

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Literatura académica sobre el tema "Silicone compounds"

Autor: Grafiati
Publicado: 4 de junio de 2021
Última modificación: 9 de febrero de 2022

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Artículos de revistas sobre el tema "Silicone compounds"

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Taptim, Kulnida y Narongrit Sombatsompop. "UV Weathering Effect on Antibacterial Performance in Silicone Rubber Compounds". Advanced Materials Research 410 (noviembre de 2011): 325–28. http://dx.doi.org/10.4028/www.scientific.net/amr.410.325.

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Silicone rubber compounded with three different types of antibacterial agents: namely; nanoAg colloids, Silver substituted Zeolite compound (SSZ) and 2-Hydroxypropyl-3-Piperazinyl-Quinoline Carboxylic Acid Methacrylate (HPQM) were prepared and changes in antibacterial performance were assessed before and after exposure to UV light at different aging times. Drop plate and halo tests were performed to study the antibacterial performance of silicone rubber compounds. The results indicated that antibacterial activity of silicone compound changed when the UV aging time was increased. The antibacterial activity of the rubber added with HPQM extremely decreased considered by the inhibition zone and %reductions of Staphylococcus aureus and Escherichia coli bacteria for any given contact times. On the other hand, the UV light did not affect the antibacterial activity of silicone rubber compounds added with nanoAg colloids and SSZ agents.
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Smith, Tony. "Silicone paints and compounds". Pigment & Resin Technology 14, n.º 4 (abril de 1985): 11. http://dx.doi.org/10.1108/eb042123.

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Kopylov, V. M., A. V. Tsareva, A. Yu Fedorov y E. I. Kostyleva. "Ceramic-Forming Silicone Compounds". International Polymer Science and Technology 41, n.º 10 (octubre de 2014): 13–18. http://dx.doi.org/10.1177/0307174x1404101003.

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Speck-Hernandez, Cesar A. y Gladis Montoya-Ortiz. "Silicon, a Possible Link between Environmental Exposure and Autoimmune Diseases: The Case of Rheumatoid Arthritis". Arthritis 2012 (18 de octubre de 2012): 1–11. http://dx.doi.org/10.1155/2012/604187.

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Silicon is one of the most common chemicals on earth. Several compounds such as silica, asbestos, silicone or, nanoparticles are built from tetrahedral units with silicon as the central atom. Despite these, structural similarities, they have rarely been analyzed as a group. These compounds generate significant biological alterations that include immune hyperactivation, production of the reactive species of oxygen and tissue injury. These pathological processes may trigger autoimmune responses and lead to the development of rheumatoid arthritis. Populations at risk include those that constantly work in industrial process, mining, and agriculture as well as those that undergo silicone implants. Herein a review on the main features of these compounds and how they may induce autoimmune responses is presented.
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Kafi, Mohammad, Jafar Nabati, Bijan Saadatian, Armin Oskoueian y Javad Shabahang. "Potato response to silicone compounds (micro and nanoparticles) and potassium as affected by salinity stress". Italian Journal of Agronomy 14, n.º 3 (5 de agosto de 2019): 162–69. http://dx.doi.org/10.4081/ija.2019.1182.

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Salinity of irrigation water is an important limitation factor in crop production such as potato worldwide. Foliar application of anti-stress compounds containing mineral nutrients is one of the possible solutions for salinity mitigation. In this field experiment the effects of silicone compounds on potato (cv. Agria) performance was studied as a split plot based on randomised complete block design with three replications at Ferdowsi University of Mashhad, Iran, during 2016 cropping season. Treatments included irrigation salinity [0.3 (non-stress), 5, 8 and 12 dS.m–1] and foliar application of potassium sulphate (1000 ppm), sodium silicate nanoparticles (400 ppm) and silica (1000 ppm). Results indicated that salinity decreased transpiration rate, stomatal conductance, quantum yield of PSΙΙ, membrane stability index, carotenoids, tuber number per plant and tuber yield while it improved water use efficiency and tuber dry matter percentage. Foliar application of anti-stress compounds positively affected quantum yield of PSΙΙ, carotenoids content, DPPH radical scavenging activity, tuber number per plant, tuber yield and tuber dry matter percentage. Although, application of all compounds improved most biochemical and photosynthetic traits, but ameliorative effect of the two silicon compounds, especially sodium silicate nanoparticles was more evident. It seems that silicon application could be an effective strategy in reducing salinity effects and its efficiency will be increased when is used as nanoparticles.
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Zielecka, Maria, Anna Rabajczyk, Łukasz Pastuszka y Leszek Jurecki. "Flame Resistant Silicone-Containing Coating Materials". Coatings 10, n.º 5 (15 de mayo de 2020): 479. http://dx.doi.org/10.3390/coatings10050479.

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The flame resistance of applied coating materials affects the safety of innovative technological solutions. Silicone-containing polymeric materials are one of the most economical solutions in the field of coatings due to the effect of the unique combination of very good thermal, resistance, and surface properties. The rich chemistry of silicon compounds, which results in their very good thermal stability, allows their use as flame-resistant coating materials or as flame retardants in polymer composites. In this review, the flame resistance of PDMS systems based on their thermal degradation data, as well as possible paths of thermal degradation depending on external conditions including the effect of additives, flame resistance of hybrid silicone-containing coating materials and most important innovative applications of these materials, are reviewed. Very good results from the use of organic silicon compounds as fire retardants in polymers obtained by many research teams are one of the promising ways of overcoming the health, safety, and availability concerns of traditional halogenated fire retardants.
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Princy, K. G., Rani Joseph y C. Sudha Kartha. "Studies on conductive silicone rubber compounds". Journal of Applied Polymer Science 69, n.º 5 (1 de agosto de 1998): 1043–50. http://dx.doi.org/10.1002/(sici)1097-4628(19980801)69:5<1043::aid-app24>3.0.co;2-0.

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Lambrecht, Jens y Markus Winterer. "New Silicone-Resin-Compounds for Casting and Molding Applications". Key Engineering Materials 809 (junio de 2019): 15–22. http://dx.doi.org/10.4028/www.scientific.net/kem.809.15.

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Silicone resins are manufactured and supply in various delivery forms since decades. The impregnation of large electrical machines demonstrates a main application in the field of electrical insulation technology at the moment. Silicone resins are characterized by outstanding resistance to heat stress at high temperatures in general. Experience has shown that they are also very stable against exposure to UV radiation. Based on the expected very good property profile, Wacker Chemie AG developed a solvent-free, low-viscosity silicone resin for use as a binder for castable and moldable products. The article presents the chemical composition of silicone resins, the resulting properties of the resin and selected results of the extensive work for the evaluation of possible fillers and filler mixtures as well as first experience with the processing.
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Chiu, Hsien-Tang, Yung-Lung Liu, Chih-Wei Lin, Zhi-Jian Shong y Peir-An Tsai. "Thermal conductivity and electrical conductivity of silicone rubber filled with aluminum nitride and aluminum powder". Journal of Polymer Engineering 33, n.º 6 (1 de septiembre de 2013): 545–49. http://dx.doi.org/10.1515/polyeng-2013-0025.

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Abstract The effects of aluminum nitride (AlN) and aluminum powder (Al) on thermal conductivity and electrical conductivity of silicone rubber compounds were investigated and it was found that the thermal conductivity increased with increased fillers content. Silicone rubber filled with Al powder of 45 μm over 50 phr, exhibits higher thermal conductivity as compared to that filled with AlN powder of 4 μm at the same filler content. The results indicate that the particle size effect played a significant role on thermal conductivity. In addition, it was found that electrical conductivity and thermal conductivity increased proportionally when the Al powder content increased. In contrast, only the thermal conductivity kept increasing proportionally, but the electrical conductivity almost remained unchanged for the rubber with AlN. Furthermore, a new type of silicone rubber compound with a combination of the two fillers, comprising 100 phr of AlN powder and 50 phr of Al powder, was developed, which lead to synergistic enhancement of the thermal conductivity. The improvement in thermal stability of the new type of silicone rubber compounds enables use in high temperature environments.
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Wels, Sebastian, Johann Bauer, Jens Lambrecht y Albert Claudi. "Silicone Gel Compounds for Non-Linear Stress Grading Applications". Proceedings of the Nordic Insulation Symposium, n.º 26 (8 de agosto de 2019): 113–17. http://dx.doi.org/10.5324/nordis.v0i26.3289.

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The paper deals with a field-grading insulation usingsilicone gel as main material/binder. Additives, which providethe nonlinearity of the compounds, consist of a support materialwith metal oxide coating. The nonlinear electrical propertieswere adjusted by the addition of different dopants. In thisinvestigation the fundamental properties of new non-linearconductivematerials (NLCM) were examined. One aim of theinvestigation is to attribute the macroscopic electrical behaviorto the respective doping. For a typical compound, fieldcalculations for a cable joint model are presented and comparedto a conventional design without NLCM.
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Tesis sobre el tema "Silicone compounds"

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Parr, J. A. "Antimicrobial properties of silicone quaternary ammonium compounds". Thesis, Bucks New University, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.375600.

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Weigenand, Oliver. "Wood modification with different types of silicon compounds /". Göttingen : Sierke, 2006. http://d-nb.info/98270948X/04.

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Al-Juhni, Abdulhadi A. "INCORPORATION OF LESS TOXIC ANTIFOULING COMPOUNDS INTO SILICONE COATINGS TO STUDY THEIR RELEASE BEHAVIORS". University of Akron / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=akron1154974014.

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Boissezon, Rémi. "Amélioration du comportement au feu des élastomères silicones pour des applications en câblerie". Thesis, Montpellier 2, 2014. http://www.theses.fr/2014MON20186.

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Les silicones possèdent naturellement d'excellentes propriétés au feu. Ils dégagent peu de chaleur et ne produisent pas de composés toxiques en brulant. Cependant, pour leur utilisation en câblerie de sécurité, il est nécessaire d'améliorer la cohésion des cendres et diminuer l'opacité des fumées produites par leur combustion. Aussi, dans le cadre de ce travail, plusieurs additifs phosphorés ont été incorporés dans une formulation silicone modèle pour générer du charbonnement. Quel que soit le composé phosphoré introduit, le comportement au feu a été dégradé du fait d'une diminution de la stabilité thermique du silicone. De plus, la cohésion des résidus n'a pas été améliorée par ces composés. C'est pourquoi des verres de bas point de ramollissement et des borates ont été testés dans un second temps. Sur l'ensemble de ces nouveaux essais, seul un verre en particulier a permis d'augmenter la cohésion des cendres mais celui-ci a également dégradé le comportement au feu en déstabilisant thermiquement le silicone. L'objectif de la réduction de la quantité de fumées dégagée a été atteint en générant un effet barrière grâce à la dispersion d'un talc de haut facteur de forme. Cet effet barrière a également permis de diminuer le débit calorifique et d'augmenter la quantité de résidus finaux sans cependant augmenter la cohésion des cendres. La combinaison de ce même talc avec le cyanurate de mélamine nous a permis d'obtenir la classification V-0 au test UL-94. L'effet barrière du talc a été conservé mais est légèrement perturbé par le dégagement gazeux de l'additif azoté. Une optimisation de la formulation serait intéressante à mener pour conserver la classification V-0 et un effet barrière optimum
Silicones exhibit excellent fire properties. They do not release toxic products and release a low rate of heat when they burn. However, to be used as wires for safety devices, they need greater ashes cohesion and they have to release less smoke during combustion. To that end, many phosphorus compounds have been introduced in a model silicone formulation to generate a charring layer. Whatever the phosphorous compound introduced in formulations, the fire behavior was deteriorated and the silicone thermal stability decreased. Moreover, the residue cohesion was not improved by these compounds. Hence, glass frits with low melting points and borates based compounds were tested in a second step. Just one particular glass frit was able to improve the ashes cohesion but the fire behavior was impaired by a decrease of the silicone thermal stability.The objective in term of decrease of smoke release was achieved by the dispersion of a high aspect ratio talc able to generate a barrier effect. This barrier effect also permitted to decrease the total heat release and mass loss. Unfortunately, ashes cohesion was not improved by this talc. In combination with melamine cyanurate, this talc succeeded to reach the V-0 classification according to the UL-94 test. The talc still imparts a barrier effect but it was slightly disturbed by the gaseous release of nitrogen compound. An optimization of the formula could be interesting to preserve the V-0 classification and an optimum barrier effect
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Bratton, G. J. "Silicate/silicon hybrid materials". Thesis, University of Greenwich, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234283.

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Batra, Ashish. "Stress relieving technique for plastic packages in a high volume manufacturing environment". Diss., Online access via UMI:, 2009.

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Thesis (Ph. D.)--State University of New York at Binghamton, Thomas J. Watson School of Engineering and Applied Science, Department of Systems Science and Industrial Engineering, 2009.
Includes bibliographical references.
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Rozell, James M. (James Morris). "Silenes and Silenoids in the Chemistry of Cyclopentadienylsilanes". Thesis, North Texas State University, 1986. https://digital.library.unt.edu/ark:/67531/metadc331302/.

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Evidence is presented that apparent silene products obtained from the metalation of cyclopentadienyldimethyl - chlorosilane either with tert-butyl1ithium or with methylenetriphenylphosphorane actually arise from the metalated starting material, a silenoid, rather than from a silafulvene intermediate. Trimethylmethoxysi1ane is shown to be an effective trap for dimethylsilafulvene. A new dimethylsilafulvene precursor, bis(dimethylmethoxysi1yl) cyclopentadiene, which gives high yields of dimethyldimethoxysi1ane and the silafulvene at temperatures as low as 240°C is reported.
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Nieder, Anian. "Energetic organo-silicon compounds". Diss., Ludwig-Maximilians-Universität München, 2013. http://nbn-resolving.de/urn:nbn:de:bvb:19-162183.

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Grant, Guy Hamilton. "Molecular modelling of silicon compounds". Thesis, University of Liverpool, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.329403.

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Maiti, Pranab. "1,5-stereocontrol using silicon-containing compounds". Thesis, University of Cambridge, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.619545.

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Libros sobre el tema "Silicone compounds"

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Walton, D. R. M., ed. Organometallic Compounds of Silicon. Boston, MA: Springer US, 1985. http://dx.doi.org/10.1007/978-1-4899-7166-1.

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O'Lenick, Anthony J. Silicones for personal care. Carol Stream, Ill: Allured Pub., 2003.

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O'Lenick, Anthony J. Silicones for personal care. 2a ed. Carol Stream, Ill: Allured Pub., 2008.

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International Symposium on Organosilicon Chemistry (8th 1987 Saint Louis, Mo.). Silicon chemistry. Editado por Corey E. R, Corey J. Y, Gaspar Peter P. 1935- y International Union of Pure and Applied Chemistry. Chichester: E. Horwood, 1988.

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Scheschkewitz, David, ed. Functional Molecular Silicon Compounds I. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-03620-5.

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Scheschkewitz, David, ed. Functional Molecular Silicon Compounds II. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-03734-9.

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Silicon reagents in organic synthesis. London: Academic Press, 1988.

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Colvin, Ernest W. Silicon in organic synthesis. Malabar, Fla: R.E. Krieger Pub. Co., 1985.

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Rappoport, Zvi y Yitzhak Apeloig, eds. The Chemistry of Organic Silicon Compounds. Chichester, UK: John Wiley & Sons, Ltd, 1998. http://dx.doi.org/10.1002/0470857250.

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Rappoport, Zvi y Yitzhak Apeloig, eds. The Chemistry of Organic Silicon Compounds. Chichester, UK: John Wiley & Sons, Ltd, 2001. http://dx.doi.org/10.1002/0470857269.

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Capítulos de libros sobre el tema "Silicone compounds"

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Wels, S., J. Bauer, J. Lambrecht y A. Claudi. "Silicone Gel Compounds with Non-linear Stress Grading for Medium Voltage Applications". En Lecture Notes in Electrical Engineering, 450–58. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-31680-8_46.

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Jurisch, M., H. Jacob y T. Flade. "Supplementing Silicon: the Compound Semiconductors". En Silicon, 423–61. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-662-09897-4_21.

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Eigen, Peter, Hannelore Keller-Rudek, Wolfgang Kurtz, Peter Merlet, Hans Schäfer y Friedrich Schröder. "N-Substituted Silicon-Nitrogen-(Hydrogen) Compounds". En Si Silicon, 145–351. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-662-06997-4_4.

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Breydo, Leonid. "Silicon, Biologically Active Compounds". En Encyclopedia of Metalloproteins, 1996–98. New York, NY: Springer New York, 2013. http://dx.doi.org/10.1007/978-1-4614-1533-6_486.

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Walton, D. R. M. "Si Silicon". En Organometallic Compounds of Silicon, 1–241. Boston, MA: Springer US, 1985. http://dx.doi.org/10.1007/978-1-4899-7166-1_1.

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Macintyre, J. E., F. M. Daniel, D. J. Cardin, S. A. Cotton, R. J. Cross, A. G. Davies, R. S. Edmundson et al. "Si Silicon". En Dictionary of Organometallic Compounds, 190–202. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4757-4966-3_51.

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MacIntyre, Jane E. "Si Silicon". En Dictionary of Organometallic Compounds, 242–63. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4899-6848-7_50.

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Macintyre, J. E. "Si Silicon". En Dictionary of Organometallic Compounds, 318–37. Boston, MA: Springer US, 1986. http://dx.doi.org/10.1007/978-1-4615-6847-6_47.

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Nagy, Zoltán. "Si—Silicon". En Electrochemical Synthesis of Inorganic Compounds, 415–19. Boston, MA: Springer US, 1985. http://dx.doi.org/10.1007/978-1-4899-0545-1_60.

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Krimmel, Eberhard F., Rudolf Hezel, Uwe Nohl y Rainer Bohrer. "Silicon Nitride in Compound Semiconductor Integrated Circuits (ICs)". En Si Silicon, 284. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-662-09901-8_25.

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Actas de conferencias sobre el tema "Silicone compounds"

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Ferreira, Maira Silva, Watson Loh y Rogério Magalhaes Paniago. "Self-Assembly in Systems Containing Silicone Compounds". En SYNCHROTRON RADIATION IN MATERIALS SCIENCE: Proceedings of the 6th International Conference on Synchrotron Radiation in Materials Science. AIP, 2009. http://dx.doi.org/10.1063/1.3086217.

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Haring, Dominik y Frank Jenau. "Apparent DC conductivity of silicone rubber compounds". En 2020 IEEE 3rd International Conference on Dielectrics (ICD). IEEE, 2020. http://dx.doi.org/10.1109/icd46958.2020.9341914.

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Carr, John J., Geri Schleicher y Mary Walker. "Development of Custom Silicone Compounds for Automotive Applications". En International Congress & Exposition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 1990. http://dx.doi.org/10.4271/900574.

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Nyulászi, László, Tamás Kárpáti y Tamás Veszprémi. "Silylene the most stable form of silicone in aromatic compounds". En The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47669.

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Lakatos, I., J. Tóth, J. Lakatos-Szabó y K. Bauer. "Potential of Silicone Compounds in Restriction of Water Production in Gas Wells". En IOR 2003 - 12th European Symposium on Improved Oil Recovery. European Association of Geoscientists & Engineers, 2003. http://dx.doi.org/10.3997/2214-4609-pdb.7.p035.

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Zeng, Yibing, Ruilin Zuo, Zhengping Luo, Bean Tan y Jacob I. Kleiman. "Removal of Low Molecular Compounds from Silicone Binder Used for Space Applications". En PROTECTION OF MATERIALS AND STRUCTURES FROM SPACE ENVIRONMENT: Proceedings of the 9th International Conference: Protection of Materials and Structures From Space Environment. AIP, 2009. http://dx.doi.org/10.1063/1.3076856.

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Lakatos, I., J. Toth, K. Bauer, J. Lakatos-Szabo, Gy Palasthy y H. Wöltje. "Comparative Study of Different Silicone Compounds as Candidates for Restriction of Water Production in Gas Wells". En International Symposium on Oilfield Chemistry. Society of Petroleum Engineers, 2003. http://dx.doi.org/10.2118/80204-ms.

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Daniels, Christopher, Janice Wasowski, Marta Panickar y Ian Smith. "Leak rate performance of three silicone elastomer compounds after ground-simulated and on-orbit environment exposures". En 3rd AIAA Atmospheric Space Environments Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 2011. http://dx.doi.org/10.2514/6.2011-3823.

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Nakano, Mitsuyuki, Haruko Sasaki y Harumi Ono. "Radiation Resistance of Rubber Compound for Gasket". En ASME 2011 Small Modular Reactors Symposium. ASMEDC, 2011. http://dx.doi.org/10.1115/smr2011-6567.

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Seals of small and medium modular reactors are considered as not important components compared with seals for the large modular reactors which are current-generation plants. Leakage of seals has been a safety concern, however seal maintenance and replacement are costly and time consuming for the current-generation plants. Therefore, integral designs of small and medium modular reactors eliminate the need for seals. However it is impossible to eliminate seals completely from the detail design and equipments. Seals consisting of organic materials are estimated as serious damaged components at design basis accident (DBA). Especially it is no exaggeration to say that rubber gaskets are weakest gasket at DBA. In the point of view we must know about behavior of rubber deterioration under condition at DBA. It is very important to select rubber compound from a viewpoint of not only adequate rubber that has characteristic required for each specification but also consideration about rubber deterioration under condition at normal plant operation and DBA. However rubber for gasket has not been selected based on precise studies with enough data concerned about the rubber deterioration because there have been less studies in the world. From compression set test, swelling test, and Fourier transform infrared spectroscopy (FT-IR) analysis, it has been indicated that chemical structure of both Ethylene propylene diene monomer rubber (EPDM) and Silicone rubber might be broken by radiation, and crosslinking of elastomer by radiation might progress at the same time. In fact, EPDM compounds have good results of compression set after radiation exposure and Silicone rubber does not have good results. It had been predicted that breakage and crosslinking of elastomer chemical structure caused by radiation would have been more serious on Silicone rubber. On the other hand, it has been estimated that breakage of chemical structure of Fluoro-rubber is more influenced by crosslinking of elastomer by radiation, than influence by low molecular elastomer caused by deterioration have been generated. From these results it is considered that Fluoro-rubber is weak against radiation compared to another elastomer. If Fluoro-rubber must be chosen because of its high thermal resistance for example, a radiation condition of environment should be considered seriously. Unfortunately we could not find significant correlation between compression set and general properties. However results of elongation at breakage indicates possibility of relationship to compression set.
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Stellrecht, Eric, Bongtae Han y Michael Pecht. "Measurement of Hygroscopic Swelling in Mold Compounds and Its Effect on PEM Reliability". En ASME 2003 International Electronic Packaging Technical Conference and Exhibition. ASMEDC, 2003. http://dx.doi.org/10.1115/ipack2003-35252.

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Hygroscopic stresses arise in a plastic encapsulated microcircuit (PEM) when the mold compound swells upon absorbing moisture and the lead frame, die paddle, and silicon die, do not experience swelling. Similar to the thermal stress produced by the mismatch of coefficients of thermal expansion between adjacent materials, the hygroscopic stress increases as the hygroscopic swelling coefficient of the mold compound increases. Accurate measurement of hygroscopic swelling is essential in assessing the effect of hygroscopic stresses on package reliability. In this paper, a whole-field experimental method to characterize the hygroscopic swelling of mold compounds is proposed. The method is implemented to determine the hygroscopic swelling and the corresponding coefficient of hygroscopic contraction of five commercial molding compounds. A comparison between the hygroscopic and thermally induced mismatch strains in PEMs is presented and its implication on PEMs reliability is discussed.
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Informes sobre el tema "Silicone compounds"

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Brumbach, Michael T., Alex James Mirabal, Michael Kalan, Ana B. Trujillo y Kevin Hale. Materials Chemistry and Performance of Silicone-Based Replicating Compounds. Office of Scientific and Technical Information (OSTI), noviembre de 2014. http://dx.doi.org/10.2172/1164595.

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Seyferth, Dietmar. Organosilicon Compounds and Polymers and Silicon Ceramics. Fort Belvoir, VA: Defense Technical Information Center, marzo de 1989. http://dx.doi.org/10.21236/ada206589.

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Weaver, John H. Studies of Metal-Silicon, Silicon-Metal, and Silicide Based Interfaces: Synchrotron Radiation Photoemission and Inverse Photoemission Investigations of Interface Formation and Compound Nucleation. Fort Belvoir, VA: Defense Technical Information Center, enero de 1988. http://dx.doi.org/10.21236/ada191808.

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Seyferth, Dietmar. Applications of Transition Metal Compounds in the Preparation of Useful Silicon-Containing Ceramics. Fort Belvoir, VA: Defense Technical Information Center, abril de 1993. http://dx.doi.org/10.21236/ada264028.

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Leon-Escamilla, E. A. Polar intermetallic compounds of the silicon and arsenic family elements and their ternary hydrides and fluorides. Office of Scientific and Technical Information (OSTI), octubre de 1996. http://dx.doi.org/10.2172/432959.

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Idakwo, Gabriel, Sundar Thangapandian, Joseph Luttrell, Zhaoxian Zhou, Chaoyang Zhang y Ping Gong. Deep learning-based structure-activity relationship modeling for multi-category toxicity classification : a case study of 10K Tox21 chemicals with high-throughput cell-based androgen receptor bioassay data. Engineer Research and Development Center (U.S.), julio de 2021. http://dx.doi.org/10.21079/11681/41302.

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Deep learning (DL) has attracted the attention of computational toxicologists as it offers a potentially greater power for in silico predictive toxicology than existing shallow learning algorithms. However, contradicting reports have been documented. To further explore the advantages of DL over shallow learning, we conducted this case study using two cell-based androgen receptor (AR) activity datasets with 10K chemicals generated from the Tox21 program. A nested double-loop cross-validation approach was adopted along with a stratified sampling strategy for partitioning chemicals of multiple AR activity classes (i.e., agonist, antagonist, inactive, and inconclusive) at the same distribution rates amongst the training, validation and test subsets. Deep neural networks (DNN) and random forest (RF), representing deep and shallow learning algorithms, respectively, were chosen to carry out structure-activity relationship-based chemical toxicity prediction. Results suggest that DNN significantly outperformed RF (p < 0.001, ANOVA) by 22–27% for four metrics (precision, recall, F-measure, and AUPRC) and by 11% for another (AUROC). Further in-depth analyses of chemical scaffolding shed insights on structural alerts for AR agonists/antagonists and inactive/inconclusive compounds, which may aid in future drug discovery and improvement of toxicity prediction modeling.
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