Relevant bibliographies by topics / Chemical reactions

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Chemical reactions'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 August 2024

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Journal articles on the topic "Chemical reactions"

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DE LACY COSTELLO, B. P. J., I. JAHAN, A. ADAMATZKY, and N. M. RATCLIFFE. "CHEMICAL TESSELLATIONS." International Journal of Bifurcation and Chaos 19, no. 02 (February 2009): 619–22. http://dx.doi.org/10.1142/s0218127409023238.

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We report a simple set of chemical reactions based on the reaction of a range of metal salts with potassium ferricyanide loaded gels that spontaneously produce complex and colorful tessellations of the plane. These reactions provide a great resource for scientific demonstrations, whilst also constituting an important class of nonlinear pattern forming reaction.
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Von Korff, Modest, and Thomas Sander. "Molecular Complexity for Chemical Reactions." CHIMIA 77, no. 4 (April 26, 2023): 258. http://dx.doi.org/10.2533/chimia.2023.258.

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A new method is presented on how to calculate molecular complexity for chemical reactions by the fractal dimension of educts and products. Two pathways for the total synthesis of strychnine were compared. Significant differences in the two synthesis pathways were reflected by reaction complexity. These results demonstrate that reaction complexity is a powerful measure to group chemical reactions beyond substructural changes.
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Lee, Hyuk-Kou. "Dissolution with Chemical Reactions: Reversible versus Irreversible Chemical Reactions." Journal of Pharmaceutical Sciences 79, no. 11 (November 1990): 1038–39. http://dx.doi.org/10.1002/jps.2600791120.

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Misra, Manavendra. "Chemical Reactions and Their Impact on Industrial Applications." International Journal of Science and Research (IJSR) 12, no. 12 (December 5, 2023): 768–76. http://dx.doi.org/10.21275/sr231204223053.

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Schwaller, Philippe, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, and Teodoro Laino. "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions." Science Advances 7, no. 15 (April 2021): eabe4166. http://dx.doi.org/10.1126/sciadv.abe4166.

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Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language of chemical synthesis inferring a series of “reaction rules” from knowing how atoms rearrange during a chemical transformation, a process called atom-mapping. Atom-mapping is a laborious experimental task and, when tackled with computational methods, requires continuous annotation of chemical reactions and the extension of logically consistent directives. Here, we demonstrate that Transformer Neural Networks learn atom-mapping information between products and reactants without supervision or human labeling. Using the Transformer attention weights, we build a chemically agnostic, attention-guided reaction mapper and extract coherent chemical grammar from unannotated sets of reactions. Our method shows remarkable performance in terms of accuracy and speed, even for strongly imbalanced and chemically complex reactions with nontrivial atom-mapping. It provides the missing link between data-driven and rule-based approaches for numerous chemical reaction tasks.
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Guo, Jeff, Bojana Ranković, and Philippe Schwaller. "Bayesian Optimization for Chemical Reactions." CHIMIA 77, no. 1/2 (February 22, 2023): 31. http://dx.doi.org/10.2533/chimia.2023.31.

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Reaction optimization is challenging and traditionally delegated to domain experts who iteratively propose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach convergence, representing an enormous resource sink. Bayesian optimization (BO) is an optimization algorithm that recommends the next experiment based on previous observations and has recently gained considerable interest in the general chemistry community. The application of BO for chemical reactions has been demonstrated to increase efficiency in optimization campaigns and can recommend favorable reaction conditions amidst many possibilities. Moreover, its ability to jointly optimize desired objectives such as yield and stereoselectivity makes it an attractive alternative or at least complementary to domain expert-guided optimization. With the democratization of BO software, the barrier of entry to applying BO for chemical reactions has drastically lowered. The intersection between the paradigms will see advancements at an ever-rapid pace. In this review, we discuss how chemical reactions can be transformed into machine-readable formats which can be learned by machine learning (ML) models. We present a foundation for BO and how it has already been applied to optimize chemical reaction outcomes. The important message we convey is that realizing the full potential of ML-augmented reaction optimization will require close collaboration between experimentalists and computational scientists.
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ODA, Akinori. "Plasma Chemical Reactions." Journal of The Institute of Electrical Engineers of Japan 141, no. 3 (March 1, 2021): 151–54. http://dx.doi.org/10.1541/ieejjournal.141.151.

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TAKAHASHI, Katsuyuki, and Nobuya HAYASHI. "Plasma Chemical Reactions." Journal of The Institute of Electrical Engineers of Japan 141, no. 3 (March 1, 2021): 155–58. http://dx.doi.org/10.1541/ieejjournal.141.155.

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SENDELE, DEBORAH D. "Chemical Hypersensitivity Reactions." International Ophthalmology Clinics 26, no. 1 (1986): 25–34. http://dx.doi.org/10.1097/00004397-198602610-00006.

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Ben-Nun, M., M. Brouard, J. P. Simons, and R. D. Levine. "Peripheral chemical reactions." Chemical Physics Letters 210, no. 4-6 (July 1993): 423–31. http://dx.doi.org/10.1016/0009-2614(93)87048-8.

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Dissertations / Theses on the topic "Chemical reactions"

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Wickham, Andrew. "Fast chemical reactions." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.309276.

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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.

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Thesis (Ph. D.)--West Virginia University, 2007.
Title 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.
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Ginovska, Bojana. "Computational study of chemical reactions." Online access for everyone, 2007. http://www.dissertations.wsu.edu/Thesis/Fall2007/B_Ginovska_112607.pdf.

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Parsons, R. W. "Mathematical models of chemical reactions." Thesis, Bucks New University, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371228.

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Miners, Scott A. "Chemical reactions inside carbon nanotubes." Thesis, University of Nottingham, 2016. http://eprints.nottingham.ac.uk/33062/.

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The work presented in this thesis describes the development and application of strategies to evaluate the influence of extreme confinement within narrow single-walled carbon nanotubes (SWNT) on the pathways of preparative chemical reactions. Methodologies to reduce carbon nanotube length were critically assessed in order to aid the access and egress of reactants and products to and from the SWNT internal channel during confined reactions. A reliable procedure for the encapsulation of organic molecules within carbon nanotubes was developed utilising a novel fractional distillation procedure which exploits the effect of nanoscale confinement on the phase behaviour of liquids. Confinement of the halogenation of N-phenylacetamide within SWNT demonstrated, for the first time, that narrow SWNT are effective hosts for chemical reactions on a preparative scale in the absence of metallic catalysts. The selective formation of the para-brominated regioisomer improved from 68 to 97% as a direct result of confinement. Furthermore, the confinement of a range of azide-alkyne 1,3-dipolar cycloaddition reactions within SWNT showed a consistent increase in selectivity for the 1,4-triazole (up to a 55% increase). The magnitude of this effect can be tuned by varying the SWNT diameter or the steric bulk of the reactant substituents. In addition to the dominant steric factors, the results herein suggest that the electronic properties of carbon nanotubes induce an additional, more subtle influence on selectivity. Investigating the autocatalytic Soai reaction in the presence of carbon nanotubes demonstrated, on a fundamental level, that the helicity of SWNT induces an effect on the formation of chiral molecules. Since carbon nanotubes exist as a racemic mixture of P and M enantiomers, their presence has a symmetrising effect whereby an enantioselective Soai reaction affording 90% ee becomes racemic upon the addition of (6,5)-SWNT. These results clearly demonstrate the ability of carbon nanotubes to influence the properties of preparative chemical reactions.
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Denuault, Guy. "Microelectrode studies of chemical reactions." Thesis, University of Southampton, 1989. https://eprints.soton.ac.uk/179323/.

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Neumann's integral theorem has been used to establish exact analytical solutions for chronoamperometric experiments and for the steady state limiting current for CE and catalytic EC mechanisms. To convert these solutions into a useful form, FORTRAN programs have been written for the necessary numerical calculations. The analytical response of microdiscs, for chronoamperometry as well as the steady state for CE and EC' reactions is presented. A different theoretical approach, as well as digital simulations, are used for the interpretation of steady state limiting currents for EC' reactions, in particular, silver(II)-substrate coupled reactions. The radius dependence of the ratio between the kinetically and the diffusion controlled currents has been calculated for various kinetic schemes. The anodic oxidations of Cr(III), water and of Mn(II) in the presence of catalytic quantities of Ag(I), were investigated using Pt microdiscs with radii between 0.3 and 62.5 m. Because of the enhanced rate of diffusion to microelectrodes, kinetic currents are observed for the Ag(I) mediated oxidation of Cr(III). It is shown that there is good agreement between the experimental i_k/i_d= f(a) plots and those computed assuming a mechanism where the rate determining step is electron transfer from Cr(III) to Ag(II). The rate constant was determined as 9x10^6 mol^-1 cm^3 s^-1. The Ag(II)-Mn(II) reaction must be substantially faster since in most conditions the measured current is determined by the diffusion of Mn(II) to the surface. As expected but in complete contrast, the Ag(II) water reaction is too slow to observe kinetic currents at microelectrodes.
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Larsson, Per-Erik. "Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions." Doctoral thesis, Uppsala University, Department of Quantum Chemistry, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3475.

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Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. The present thesis deals with calculations of transition states in radical cation rearrangements, and a principle of least motion study of the rearrangements in the barbaralyl cation.

In particular, alternative quadricyclane radical cation (Q∙+) rearrangements are extensively studied. The rearrangement of Q∙+ to norbornadiene is extremely facile and is often used as a prototype for one-electron oxidations. However, electron spin resonance (ESR) experiments show that there are additional cations formed from Q∙+. Two plausible paths for the rearrangement of Q∙+ to the 1,3,5-cycloheptatriene radical cation are located. The most favourable one is a multistep rearrangement with two shallow intermediates, which has a rate-limiting step of 16.5 kcal/mol. In addition, a special structure, the bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation, is identified on these alternative paths; and its computed ESR parameters agree excellently with the experimental spectrum assigned to another intermediate on this path. Moreover, this cation show a homoconjugative stabilization, which is uncommon for radical cations.

The bicyclopropylidene (BCP) radical cation undergoes ring opening to the tetramethyleneethane radical cation upon γ-irradiation of the neutral BCP. This rearrangement proceeds through a stepwise mechanism for the first ring opening with a 7.3 kcal/mol activation energy, while the second ring opening has no activation energy. The dominating reaction coordinate during each ring opening is an olefinic carbon rehybridization.

The principle of least motion is based on the idea that, on passing from reactant to product, the reaction path with the least nuclear change is the most likely. By using hyperspherical coordinates to define a distance measure between conformations on a potential energy surface, a possibility to interpret reaction paths in terms of distance arises. In applying this measure to the complex rearrangements of the barbaralyl cation, a correct ordering of the conformations on this surface is found.

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Liu, Z. "Insight into chemical reactions : from heterogeneous to enzymatic reactions." Thesis, Queen's University Belfast, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.398116.

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Reding, Derek James. "Shock induced chemical reactions in energetic structural materials." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/28174.

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Thesis (M. S.)--Aerospace Engineering, Georgia Institute of Technology, 2009.
Committee Chair: Hanagud, Sathya; Committee Member: Kardomateas, George; Committee Member: McDowell, David; Committee Member: Ruzzene, Massimo; Committee Member: Thadhani, Naresh.
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Beta, Carsten. "Controlling chemical turbulence in surface reactions." [S.l. : s.n.], 2005. http://www.diss.fu-berlin.de/2005/14/index.html.

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Books on the topic "Chemical reactions"

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A, Mashelkar R., Kumar R, and Indian Academy of Sciences, eds. Reactions and reaction engineering. Bangalore: Indian Academy of Sciences, 1987.

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Lew, Kristi. Chemical reactions. New York: Chelsea House Publishers, 2008.

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Laganà, Antonio, and Gregory A. Parker. Chemical Reactions. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-62356-6.

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), Bellingham School District No 501 (Wash. Chemical reactions. Bellingham, Wash: The Schools, 1990.

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Walker, Denise. Chemical reactions. North Mankato, MN: Smart Apple Media, 2007.

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Wendy, Meshbesher, ed. Chemical reactions. Chicago, Illinios: Raintree, 2008.

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Wilshaw, Chris. Chemical reactions. Harlow: Longman, 1995.

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Yatsui, Takashi. Nanophotonic Chemical Reactions. Cham: Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-42843-3.

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Tundo, Pietro, and Vittorio Esposito, eds. Green Chemical Reactions. Dordrecht: Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-8457-7.

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Day, M. C. Understanding chemical reactions. Boston: Allyn & Bacon, 1986.

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Book chapters on the topic "Chemical reactions"

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Schmidt, Achim. "Chemical Reactions." In Technical Thermodynamics for Engineers, 733–69. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-20397-9_24.

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Gooch, Jan W. "Chemical Reactions." In Encyclopedic Dictionary of Polymers, 137. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-6247-8_2253.

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Eriksson, Kenneth, Claes Johnson, and Donald Estep. "Chemical Reactions." In Applied Mathematics: Body and Soul, 1025–30. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-662-05800-8_21.

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Loughran, John, Amanda Berry, and Pamela Mulhall. "Chemical Reactions." In Understanding and Developing Science Teachers’ Pedagogical Content Knowledge, 47–83. Rotterdam: SensePublishers, 2012. http://dx.doi.org/10.1007/978-94-6091-821-6_5.

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Lindholm, E., and L. Åsbrink. "Chemical reactions." In Lecture Notes in Chemistry, 280–88. Berlin, Heidelberg: Springer Berlin Heidelberg, 1985. http://dx.doi.org/10.1007/978-3-642-45595-7_15.

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Battaglia, Franco, and Thomas F. George. "Chemical Reactions." In Fundamentals in Chemical Physics, 275–305. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-017-1636-9_7.

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Vieira, Ernest R. "Chemical Reactions." In Elementary Food Science, 130–36. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4757-5112-3_9.

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Koeber, Karl, Irmingard Kreuzbichler, Peter Kuhn, Ingeborg Hinz, Arnulf Seidel, Hans Karl Kugler, and Joachim Wagner. "Chemical Reactions." In Be Beryllium, 185–291. Berlin, Heidelberg: Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-662-10317-3_7.

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Veszprémi, Tamás, and Miklós Fehér. "Chemical Reactions." In Quantum Chemistry, 259–87. Boston, MA: Springer US, 1999. http://dx.doi.org/10.1007/978-1-4615-4189-9_14.

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Wagner, Günther A. "Chemical Reactions." In Natural Science in Archaeology, 295–355. Berlin, Heidelberg: Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-662-03676-1_8.

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Conference papers on the topic "Chemical reactions"

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"Chemical reactions." In Proceedings of the 43rd Course of the International School of Solid State Physics. WORLD SCIENTIFIC, 2010. http://dx.doi.org/10.1142/9789814322409_0007.

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Mehendale, Ninad Dileep, and Snehal Ajit Shah. "Programmable chemical reactions." In 2015 International Conference on Communication, Information & Computing Technology (ICCICT). IEEE, 2015. http://dx.doi.org/10.1109/iccict.2015.7045682.

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Gilman, John J. "Strain-induced chemical reactions." In High-pressure science and technology—1993. AIP, 1994. http://dx.doi.org/10.1063/1.46461.

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Bird, G. A. "Chemical Reactions in DSMC." In 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS. AIP, 2011. http://dx.doi.org/10.1063/1.3562806.

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Casey, Abigail, and Gregory E. Triplett. "Microfluidic reaction design for real time chemical reactions monitoring." In Frontiers in Biological Detection: From Nanosensors to Systems XIII, edited by Benjamin L. Miller, Sharon M. Weiss, and Amos Danielli. SPIE, 2021. http://dx.doi.org/10.1117/12.2575995.

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A. Onazi, Sagheer. "Modelling of Enzymatic Surface Reactions." In Annual International Conference on Chemistry, Chemical Engineering and Chemical Process. Global Science & Technology Forum (GSTF), 2015. http://dx.doi.org/10.5176/2301-3761_ccecp15.12.

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Trimper, Steffen. "Feedback Coupling and Chemical Reactions." In SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems. AIP, 2004. http://dx.doi.org/10.1063/1.1764187.

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Kumar, Ashutosh, and Robin Marlar Rajendran. "Expediting Chemical Enhanced Oil Recovery Processes with Prediction of Chemical Reaction Yield Using Machine Learning." In ADIPEC. SPE, 2022. http://dx.doi.org/10.2118/211832-ms.

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Abstract Chemical enhanced oil recovery involves enormous combinations of chemicals, surfactants, etc. The reservoir properties such as temperature, capillary pressure, permeability keeps changing, making the process of identification of suitable chemicals even more challenging. Data driven modelling holds solutions for the complexity involved in identification of most suitable parameters for chemical enhanced oil recovery. Over the last decade, Artificial Intelligence has found its numerous applications in different branches of chemistry. From the selection of chemicals to the operating conditions during synthesis all can be estimated by the use of deep learning models. This paper presents yield prediction which is of high economic significance for chemical enhanced oil recovery, because they enable calculation of investment versus return. These models give us the conversion of reaction into products before performing the lab experiment. This will help chemists in selecting high performance chemicals for specific reservoirs without spending time on costly iterative chemical processes. These models require application of deep learning architectures like transformers and natural language processing techniques like tokenization for the prediction task. Encoder models like BERT are used for receiving the information on chemical reactions in text-based form for a reaction which is then combined with a regression extension layer to give us the desired reaction yield. We demonstrate our model on a HTE dataset with an excellent prediction score. Efforts are also made on the USPTO patent dataset which covers a wide variety of chemical reaction space. The USPTO patent dataset consists of almost every chemical reaction published since late 1970s till 2006. Diverse techniques starting with Multi Layer Perceptrons, Sequence to sequence modelling, Long short term memory models and finally transformers are employed for the improvement of accuracy of patent reactions. The paper presents detailed comparative results of predicting chemical reaction yield, and the enhancements that it will bring to Chemical Enhanced Oil Recovery. Reaction yield prediction models receive very little attention in spite of their enormous potential of determining the reaction conversion rates and its contribution to chemical enhanced oil recovery processes . The paper introduces a novel approach of modelling chemical reaction yield with deep learning models to the petroleum community. Unprecedented result of accuracy beyond 90% in predicting chemical reactions yield and its significance in chemical enhanced oil recovery has been proposed in the paper.
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Freidin, Alexander B. "Chemical Affinity Tensor and Stress-Assist Chemical Reactions Front Propagation in Solids." In ASME 2013 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/imece2013-64957.

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We consider a stress-assist chemical reaction front propagation in a deformable solid undergoing a localized chemical reaction between solid and gas constituents. The reaction is sustained by the diffusion of the gas constituent through the transformed solid material. We introduce a chemical transformations strain tensor that relates two reference configurations of solid constituents. Then mass, momentum and energy balances are written down for the open system considered and the expression of the entropy production due to the reaction front propagation in a solid with arbitrary constitutive equations is derived. As a result, the expression of the chemical affinity tensor is obtained. Kinetic equation for the chemical reactions front propagation is formulated in a form of the dependence of the front velocity on normal components of the chemical affinity tensor. The locking effect — blocking the reaction by stresses is demonstrated. Finally the kinetic equation for the bulk chemical reaction is derived in a form of the dependence of the reaction rate on the first invariant of the chemical affinity tensor.
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GENTILE, M., and A. TATARANNI. "ON NONLINEAR STABILITY FOR A REACTION-DIFFUSION SYSTEM CONCERNING CHEMICAL REACTIONS." In Proceedings of the 14th Conference on WASCOM 2007. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812772350_0044.

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Reports on the topic "Chemical reactions"

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Flynn, G. (Laser enhanced chemical reactions). Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/7257638.

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Zewail, Ahmed H. Femtosecond Dynamics of Chemical Reactions. Fort Belvoir, VA: Defense Technical Information Center, March 2004. http://dx.doi.org/10.21236/ada422033.

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Zewail, Ahmed H. Ultrafast Dynamics of Chemical Reactions. Fort Belvoir, VA: Defense Technical Information Center, March 1998. http://dx.doi.org/10.21236/ada339208.

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Brumer, Paul W. Coherent Control of Chemical Reactions. Fort Belvoir, VA: Defense Technical Information Center, October 2001. http://dx.doi.org/10.21236/ada390499.

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Light, John C. Quantum Theory of Fast Chemical Reactions. Office of Scientific and Technical Information (OSTI), July 2007. http://dx.doi.org/10.2172/910303.

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Sarofim, Adel, JoAnn Lighty, Philip Smith, Kevin Whitty, Edward Eyring, Asad Sahir, Milo Alvarez, et al. Chemical Looping Combustion Reactions and Systems. Office of Scientific and Technical Information (OSTI), March 2014. http://dx.doi.org/10.2172/1126722.

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Tsui, Jeffrey. Extracting Chemical Reactions from Biological Literature. Fort Belvoir, VA: Defense Technical Information Center, May 2014. http://dx.doi.org/10.21236/ada605115.

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Liu, Kopin. Steric Control of Complex Chemical Reactions. Fort Belvoir, VA: Defense Technical Information Center, May 2014. http://dx.doi.org/10.21236/ada608820.

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Pelizzetti, E. Colloidal Assemblies Effect on Chemical Reactions. Fort Belvoir, VA: Defense Technical Information Center, September 1985. http://dx.doi.org/10.21236/ada193570.

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Sarofim, Adel, JoAnn Lighty, Philip Smith, Kevin Whitty, Edward Eyring, Asad Sahir, Milo Alvarez, et al. Chemical Looping Combustion Reactions and Systems. Office of Scientific and Technical Information (OSTI), July 2011. http://dx.doi.org/10.2172/1158545.

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