Literatura académica sobre el tema "Chemical reaction"
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Artículos de revistas sobre el tema "Chemical reaction"
DE LACY COSTELLO, B. P. J., I. JAHAN, A. ADAMATZKY y N. M. RATCLIFFE. "CHEMICAL TESSELLATIONS". International Journal of Bifurcation and Chaos 19, n.º 02 (febrero de 2009): 619–22. http://dx.doi.org/10.1142/s0218127409023238.
Texto completoKikuchi, Shin, Hiroyuki Ohshima y Kenro Hashimoto. "ICONE19-43782 Reaction Path Analysis of Sodium-Water Reaction Phenomena in support of Chemical Reaction Model Development". Proceedings of the International Conference on Nuclear Engineering (ICONE) 2011.19 (2011): _ICONE1943. http://dx.doi.org/10.1299/jsmeicone.2011.19._icone1943_304.
Texto completoBlurock, Edward S. "Reaction: System for Modeling Chemical Reactions". Journal of Chemical Information and Modeling 35, n.º 3 (1 de mayo de 1995): 607–16. http://dx.doi.org/10.1021/ci00025a032.
Texto completoMarris, Emma. "Chemical reaction". Nature 437, n.º 7060 (octubre de 2005): 807–9. http://dx.doi.org/10.1038/437807a.
Texto completoChallen, John. "Chemical Reaction". Electric and Hybrid Vehicle Technology International 2021, n.º 3 (noviembre de 2021): 46–50. http://dx.doi.org/10.12968/s1467-5560(22)60257-4.
Texto completoSieniutycz, Stanisław. "A Fermat-like Principle for Chemical Reactions in Heterogeneous Systems". Open Systems & Information Dynamics 09, n.º 03 (septiembre de 2002): 257–72. http://dx.doi.org/10.1023/a:1019708629128.
Texto completoSchwaller, Philippe, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt y Teodoro Laino. "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions". Science Advances 7, n.º 15 (abril de 2021): eabe4166. http://dx.doi.org/10.1126/sciadv.abe4166.
Texto completoDunning, Thom H., Elfi Kraka y Robert A. Eades. "Insights into the mechanisms of chemical reactions. Reaction paths for chemical reactions". Faraday Discussions of the Chemical Society 84 (1987): 427. http://dx.doi.org/10.1039/dc9878400427.
Texto completoWu, Jun-Lin, Zhi-Hui Li, Ao-Ping Peng, Xing-Cai Pi y Xin-Yu Jiang. "Utility computable modeling of a Boltzmann model equation for bimolecular chemical reactions and numerical application". Physics of Fluids 34, n.º 4 (abril de 2022): 046111. http://dx.doi.org/10.1063/5.0088440.
Texto completoLazaridis, Filippos, Aditya Savara y Panos Argyrakis. "Reaction efficiency effects on binary chemical reactions". Journal of Chemical Physics 141, n.º 10 (14 de septiembre de 2014): 104103. http://dx.doi.org/10.1063/1.4894791.
Texto completoTesis sobre el tema "Chemical reaction"
Steele, Aaron J. "Collective behavior in chemical systems". Morgantown, W. Va. : [West Virginia University Libraries], 2007. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=5386.
Texto completoTitle from document title page. Document formatted into pages; contains vii, 126 p. : ill. (some col.) + video files. Includes supplementary video files in a zip file. Includes abstract. Includes bibliographical references.
Degrand, Elisabeth. "Evolving Chemical Reaction Networks". Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-257491.
Texto completoEtt mål med syntetisk biologi är att genomföra användbara funktioner med biokemiska reaktioner, antingen genom omprogrammering av levande celler eller programmering av artificiella vesiklar. I detta perspektiv anser vi Chemical Reaction Networks (CRNs) som ett programmeringsspråk. Det senaste arbetet har visat att kontinuerliga CRNs med dynamik som beskrivs av vanliga differentialekvationer är Turingkompletta. Det betyder att en funktion över de realla talen som kan beräknas av en Turing-maskin i godtycklig precision, kan beräknas av en CRN över en ändlig uppsättning molekylära arter. Beviset använder en algoritm som, givet en beräkningsbar funktion som presenteras som lösningen av ett PIVP (Polynomial Initial Values Problem), genererar en ändlig CRN för att implementera den. I de genererade CRN:erna spelar molekylkoncentrationerna rollen som informationsbärare, på samma sätt som proteiner i celler. I detta examensarbete undersöker vi ett tillvägagångssätt baserat på en evolutionär algoritm för att bygga en kontinuerlig CRN som approximerar en verklig funktion med en ändlig uppsättning av värden för funktionen. Tanken är att använda parallell genetisk algoritm i två nivåer. En första algoritm används för att utveckla nätets struktur, medan den andra möjliggör att optimera parametrarna för CRN:erna vid varje steg. Vi jämför de CRN som genereras av vår metod på olika funktioner. De CRN som hittas av evolutionen ger ofta bra resultat med ganska oväntade lösningar.
Knight, Daniel William. "Reactor behavior and its relation to chemical reaction network structure". The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1438274630.
Texto completoDu, Yimian. "Bifurcation analysis in chemical reaction network". Thesis, Imperial College London, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.511282.
Texto completoHayes, Michael Y. "Theoretical studies of chemical reaction dynamics". Connect to online resource, 2007. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3273678.
Texto completoRitchie, Grant A. D. "Laser studies of chemical reaction dynamics". Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325785.
Texto completoEnglish, Philip J. "Automated discovery of chemical reaction networks". Thesis, University of Newcastle Upon Tyne, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.500929.
Texto completoDomijan, Mirela. "Mathematical aspects of chemical reaction networks". Thesis, University of Warwick, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.495019.
Texto completoXu, Jin y 徐进. "A study of chemical reaction optimization". Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2012. http://hub.hku.hk/bib/B48199242.
Texto completopublished_or_final_version
Electrical and Electronic Engineering
Doctoral
Doctor of Philosophy
Galagali, Nikhil. "Bayesian inference of chemical reaction networks". Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104253.
Texto completoCataloged from PDF version of thesis.
Includes bibliographical references (pages 189-198).
The development of chemical reaction models aids system design and optimization, along with fundamental understanding, in areas including combustion, catalysis, electrochemistry, and biology. A systematic approach to building reaction network models uses available data not only to estimate unknown parameters, but to also learn the model structure. Bayesian inference provides a natural approach for this data-driven construction of models. Traditional Bayesian model inference methodology is based on evaluating a multidimensional integral for each model. This approach is often infeasible for reaction network inference, as the number of plausible models can be very large. An alternative approach based on model-space sampling can enable large-scale network inference, but its efficient implementation presents many challenges. In this thesis, we present new computational methods that make large-scale nonlinear network inference tractable. Firstly, we exploit the network-based interactions of species to design improved "between-model" proposals for Markov chain Monte Carlo (MCMC). We then introduce a sensitivity-based determination of move types which, when combined with the network-aware proposals, yields further sampling efficiency. These algorithms are tested on example problems with up to 1000 plausible models. We find that our new algorithms yield significant gains in sampling performance, with almost two orders of magnitude reduction in the variance of posterior estimates. We also show that by casting network inference as a fixed-dimensional problem with point-mass priors, we can adapt existing adaptive MCMC methods for network inference. We apply this novel framework to the inference of reaction models for catalytic reforming of methane from a set of ~/~ 32000 possible models and real experimental data. We find that the use of adaptive MCMC makes large-scale inference of reaction networks feasible without the often extensive manual tuning that is required with conventional approaches. Finally, we present an approximation-based method that allows sampling over very large model spaces whose exploration remains prohibitively expensive with ex-act sampling methods. We run an MCMC algorithm over model indicators and for each visited model approximate the model evidence via Laplace's method. Limited and sparse available data tend to produce multi-modal posteriors over the model indicators. To perform inference in this setting, we develop a population-based approximate model inference MCMC algorithm. Numerical tests on problems with around 109 models demonstrate the superiority of our population-based algorithm over single-chain MCMC approaches.
by Nikhil Galagali.
Ph. D.
Libros sobre el tema "Chemical reaction"
A, Mashelkar R., Kumar R y Indian Academy of Sciences, eds. Reactions and reaction engineering. Bangalore: Indian Academy of Sciences, 1987.
Buscar texto completoBaxter, Roberta. Chemical reaction. Detroit, MI: Kidhaven Press, 2005.
Buscar texto completoCaroline, Anderson. Chemical Reaction. Toronto: Harlequin, 2003.
Buscar texto completo1931-, Tominaga Hiroo y Tamaki Masakazu, eds. Chemical reaction and reactor design. Chichester, England: J. Wiley, 1997.
Buscar texto completoJyri-Pekka, Mikkola y Warna P, eds. Chemical reaction engineering and reactor technology. Boca Raton: Taylor & Francis, 2009.
Buscar texto completoTapio, Salmi, Mikkola Jyri-Pekka y Wärnå Johan. Chemical Reaction Engineering and Reactor Technology. Boca Raton, FL : CRC Press, Taylor & Francis Group, 2019.: Chapman and Hall/CRC, 2019. http://dx.doi.org/10.1201/9781315200118.
Texto completoReaction kinetics and reactor design. 2a ed. New York: M. Dekker, 2000.
Buscar texto completoChemical reaction technology. Berlin: De Gruyter, 2015.
Buscar texto completoAncheyta, Jorge. Chemical Reaction Kinetics. Chichester, UK: John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781119226666.
Texto completoChemical reaction engineering. 3a ed. New Delhi: Wiley India, 2007.
Buscar texto completoCapítulos de libros sobre el tema "Chemical reaction"
Liu, Zhen. "Chemico: Chemical Reaction". En Multiphysics in Porous Materials, 173–80. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-93028-2_16.
Texto completoNilsson, Lars-Olof, Miguel-Ángel Climent y Oliver Weichold. "Chemical Reaction". En Methods of Measuring Moisture in Building Materials and Structures, 43–47. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-74231-1_6.
Texto completoDiersch, Hans-Jörg G. "Chemical Reaction". En FEFLOW, 167–91. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-38739-5_5.
Texto completoTapio, Salmi, Mikkola Jyri-Pekka y Wärnå Johan. "Chemical Reaction Engineering". En Chemical Reaction Engineering and Reactor Technology, 402–10. Boca Raton, FL : CRC Press, Taylor & Francis Group, 2019.: Chapman and Hall/CRC, 2019. http://dx.doi.org/10.1201/9781315200118-11.
Texto completoHerges, Rainer. "Reaction Planning (Computer Aided Reaction Design)". En Chemical Structures, 385–98. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_40.
Texto completoHimadri, Roy Giratali. "Chemical Kinetics". En Reaction Engineering Principles, 25–94. Boca Raton : Taylor & Francis, 2016. | “A CRC title.”: CRC Press, 2018. http://dx.doi.org/10.1201/9781315367781-3.
Texto completoSchmal, Martin y José Carlos Pinto. "Chemical equilibrium". En Chemical Reaction Engineering, 27–36. 2a ed. London: CRC Press, 2021. http://dx.doi.org/10.1201/9781003046608-2.
Texto completoRamaswamy, Ramakrishna. "Chaos in Chemical Dynamics". En Reaction Dynamics, 101–20. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-662-09683-3_4.
Texto completoWincek, John C. "Chemical Reaction Safety". En Handbook of Loss Prevention Engineering, 637–79. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527650644.ch24.
Texto completoCarreón-Calderón, Bernardo, Verónica Uribe-Vargas y Juan Pablo Aguayo. "Chemical Reaction Equilibrium". En Thermophysical Properties of Heavy Petroleum Fluids, 273–306. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-58831-1_7.
Texto completoActas de conferencias sobre el tema "Chemical reaction"
Kao, W., J. P. Singh, F. Y. Yueh y R. L. Cook. "Study of the High Temperature Multiplex HCℓ CARS Spectrum". En Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.wc5.
Texto completoCho, Yong Ju, Naren Ramakrishnan y Yang Cao. "Reconstructing chemical reaction networks". En the 14th ACM SIGKDD international conference. New York, New York, USA: ACM Press, 2008. http://dx.doi.org/10.1145/1401890.1401912.
Texto completoCardelli, Luca, Mirco Tribastone, Max Tschaikowski y Andrea Vandin. "Comparing Chemical Reaction Networks". En LICS '16: 31st Annual ACM/IEEE Symposium on Logic in Computer Science. New York, NY, USA: ACM, 2016. http://dx.doi.org/10.1145/2933575.2935318.
Texto completoZhong, Ming, Siru Ouyang, Minhao Jiang, Vivian Hu, Yizhu Jiao, Xuan Wang y Jiawei Han. "ReactIE: Enhancing Chemical Reaction Extraction with Weak Supervision". En Findings of the Association for Computational Linguistics: ACL 2023. Stroudsburg, PA, USA: Association for Computational Linguistics, 2023. http://dx.doi.org/10.18653/v1/2023.findings-acl.767.
Texto completoCasey, Abigail y Gregory E. Triplett. "Microfluidic reaction design for real time chemical reactions monitoring". En Frontiers in Biological Detection: From Nanosensors to Systems XIII, editado por Benjamin L. Miller, Sharon M. Weiss y Amos Danielli. SPIE, 2021. http://dx.doi.org/10.1117/12.2575995.
Texto completoKumar, Ashutosh y Robin Marlar Rajendran. "Expediting Chemical Enhanced Oil Recovery Processes with Prediction of Chemical Reaction Yield Using Machine Learning". En ADIPEC. SPE, 2022. http://dx.doi.org/10.2118/211832-ms.
Texto completoSierra Murillo, Jose Daniel. "Chemical laser based on polyatomic chemical reaction dynamics". En XXIII International Symposium on High Power Laser Systems and Applications, editado por Tomáš Mocek. SPIE, 2022. http://dx.doi.org/10.1117/12.2653041.
Texto completoDoty, David. "Timing in chemical reaction networks". En Proceedings of the Twenty-Fifth Annual ACM-SIAM Symposium on Discrete Algorithms. Philadelphia, PA: Society for Industrial and Applied Mathematics, 2013. http://dx.doi.org/10.1137/1.9781611973402.57.
Texto completoKama Huang, Tao Hong, Xingpeng Liu y Huacheng Zhu. "Microwave propagation in chemical reaction". En 2016 IEEE International Conference on Microwave and Millimeter Wave Technology (ICMMT). IEEE, 2016. http://dx.doi.org/10.1109/icmmt.2016.7761757.
Texto completoChaves, M. y E. D. Sontag. "Observers for chemical reaction networks". En 2001 European Control Conference (ECC). IEEE, 2001. http://dx.doi.org/10.23919/ecc.2001.7076512.
Texto completoInformes sobre el tema "Chemical reaction"
Aris, R. y R. W. Carr. Continuous chemical reaction chromatography. Office of Scientific and Technical Information (OSTI), enero de 1992. http://dx.doi.org/10.2172/7070042.
Texto completoPowers, T. B. Chemical reaction in a DCRT. Office of Scientific and Technical Information (OSTI), septiembre de 1996. http://dx.doi.org/10.2172/663145.
Texto completoEvelyn M. Goldfield. Chemical Reaction Dynamics in Nanoscle Environments. Office of Scientific and Technical Information (OSTI), septiembre de 2006. http://dx.doi.org/10.2172/891931.
Texto completoCarr, R. W. Continuous chemical reaction chromatography. Final report. Office of Scientific and Technical Information (OSTI), agosto de 1997. http://dx.doi.org/10.2172/510307.
Texto completoKeshavamurthy, Srihari. Semiclassical methods in chemical reaction dynamics. Office of Scientific and Technical Information (OSTI), diciembre de 1994. http://dx.doi.org/10.2172/91884.
Texto completoLager, Daniel, Lia Kouchachvili y Xavier Daguenet. TCM measuring procedures and testing under application conditions. IEA SHC Task 58, mayo de 2021. http://dx.doi.org/10.18777/ieashc-task58-2021-0004.
Texto completoNelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), septiembre de 2006. http://dx.doi.org/10.2172/902508.
Texto completoNelson Butuk. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), diciembre de 2004. http://dx.doi.org/10.2172/881862.
Texto completoFlynn, G. Laser enhanced chemical reaction studies. Technical progress report. Office of Scientific and Technical Information (OSTI), diciembre de 1993. http://dx.doi.org/10.2172/10159752.
Texto completoZiaul Huque. Mathematically Reduced Chemical Reaction Mechanism Using Neural Networks. Office of Scientific and Technical Information (OSTI), agosto de 2007. http://dx.doi.org/10.2172/947008.
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