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Journal articles on the topic 'Reaction, systemes a'

Author: Grafiati

Published: 4 June 2021

Last updated: 27 July 2025

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1

Bigot, Yves Le, Michel Delmas, and Antoine Gaset. "Reactions en milieu heterogene solide-liquide faiblement hydrate II-la reaction de wittig dans les systemes carbonates alcalins/solvant organique aprotique." Tetrahedron 42, no. 1 (1986): 339–50. http://dx.doi.org/10.1016/s0040-4020(01)87435-4.

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Grenier-Loustalot, Marie-Florence, Marie-Pierre Bente, and Philippe Grenier. "Reactivite du dicyandiamide vis a vis des groupements O- et N-epoxydes. 2-Cinetiques et mecanismes de reaction de systemes mono et difonctionnels en absence et presence de fibre." European Polymer Journal 29, no. 5 (1993): 689–704. http://dx.doi.org/10.1016/0014-3057(93)90130-8.

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Manzoni, Luca, Antonio E. Porreca, and Grzegorz Rozenberg. "Facilitation in reaction systems." Journal of Membrane Computing 2, no. 3 (2020): 149–61. http://dx.doi.org/10.1007/s41965-020-00044-0.

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Abstract Reaction systems is a formal model of computation which originated as a model of interactions between biochemical reactions in the living cell. These interactions are based on two mechanisms, facilitation and inhibition, and this is well reflected in the formulation of reaction systems. In this paper, we investigate the facilitation aspect of reaction systems, where the products of a reaction may facilitate other reactions by providing some of their reactants. This aspect is formalized through positive dependency graphs which depict explicitly such facilitating interactions. The focus

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EHRENFEUCHT, ANDRZEJ, MICHAEL MAIN, and GRZEGORZ ROZENBERG. "FUNCTIONS DEFINED BY REACTION SYSTEMS." International Journal of Foundations of Computer Science 22, no. 01 (2011): 167–78. http://dx.doi.org/10.1142/s0129054111007927.

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Reaction systems are a formal model of interactions between biochemical reactions. They consist of sets of reactions, where each reaction is classified by its set of reactants (needed for the reaction to take place), its set of inhibitors (each of which prevents the reaction from taking place), and its set of products (produced when the reaction takes place) – the set of reactants and inhibitors form the resources of the reaction. Each reaction system defines a (transition) function on its set of states. (States here are subsets of an a priori given set of biochemical entities.) In this paper

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Shang, Zeyi, Sergey Verlan, Jing Lu, Zhe Wei, and Min Zhou. "FPGA Implementation of Reaction Systems." Electronics 13, no. 24 (2024): 4929. https://doi.org/10.3390/electronics13244929.

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Reaction system (RS) belongs to a type of qualitative computing model inspired by biochemical reactions taking place inside biological cells. It concerns more the interactions and causality among reactions rather than concrete concentrations of chemical entities. Many biochemical processes and models can be represented in the form of reaction systems so that complex relations and ultimate products of a variety of reactions can be revealed qualitatively. The reaction system works in parallel mode. Software simulation of this kind of model may suffer from the penalty of inefficient parallelism f

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Sieniutycz, Stanisław. "A Fermat-like Principle for Chemical Reactions in Heterogeneous Systems." Open Systems & Information Dynamics 09, no. 03 (2002): 257–72. http://dx.doi.org/10.1023/a:1019708629128.

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We formulate a variational principle of Fermat type for chemical kinetics in heterogeneous reacting systems. The principle is consistent with the notion of ‘intrinsic reaction coordinate’ (IRC), the idea of ‘chemical resistance’ (CR) and the second law of thermodynamics. The Lagrangian formalism applies a nonlinear functional of entropy production that follows from classical (single-phase) nonequilibrium thermodynamics of chemically reacting systems or its extension for multiphase systems involving interface reactions and transports. For a chemical flux, a “law of bending” is found which impli

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Berkemeier, T., A. J. Huisman, M. Ammann, M. Shiraiwa, T. Koop, and U. Pöschl. "Kinetic regimes and limiting cases of gas uptake and heterogeneous reactions in atmospheric aerosols and clouds: a general classification scheme." Atmospheric Chemistry and Physics Discussions 13, no. 1 (2013): 983–1044. http://dx.doi.org/10.5194/acpd-13-983-2013.

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Abstract. Heterogeneous reactions are important to atmospheric chemistry and are therefore an area of intense research. In multiphase systems such as aerosols and clouds, chemical reactions are usually strongly coupled to a complex sequence of mass transport processes and results are often not easy to interpret. Here we present a systematic classification scheme for gas uptake by aerosol or cloud particles which distinguishes two major regimes: a reaction-diffusion regime and a mass-transfer regime. Each of these regimes includes four distinct limiting cases, characterized by a dominant reacti

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Berkemeier, T., A. J. Huisman, M. Ammann, M. Shiraiwa, T. Koop, and U. Pöschl. "Kinetic regimes and limiting cases of gas uptake and heterogeneous reactions in atmospheric aerosols and clouds: a general classification scheme." Atmospheric Chemistry and Physics 13, no. 14 (2013): 6663–86. http://dx.doi.org/10.5194/acp-13-6663-2013.

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Abstract. Heterogeneous reactions are important to atmospheric chemistry and are therefore an area of intense research. In multiphase systems such as aerosols and clouds, chemical reactions are usually strongly coupled to a complex sequence of mass transport processes and results are often not easy to interpret. Here we present a systematic classification scheme for gas uptake by aerosol or cloud particles which distinguishes two major regimes: a reaction-diffusion regime and a mass transfer regime. Each of these regimes includes four distinct limiting cases, characterised by a dominant reacti

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9

Park, Joon Sik, and Jeong Min Kim. "Interface Reactions and Synthetic Reaction of Composite Systems." Materials 3, no. 1 (2010): 264–95. http://dx.doi.org/10.3390/ma3010264.

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10

Westerlund, Tapio, and Tapio Salmi. "Factorization of reaction systems applied to catalytic reactions." Chemical Engineering Science 45, no. 1 (1990): 237–41. http://dx.doi.org/10.1016/0009-2509(90)87095-a.

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11

BRIJDER, ROBERT, ANDRZEJ EHRENFEUCHT, MICHAEL MAIN, and GRZEGORZ ROZENBERG. "A TOUR OF REACTION SYSTEMS." International Journal of Foundations of Computer Science 22, no. 07 (2011): 1499–517. http://dx.doi.org/10.1142/s0129054111008842.

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Reaction systems are a formal framework for investigating processes carried out by biochemical reactions. This paper is an introduction to reaction systems. It provides basic notions together with the underlying intuition and motivation as well as two examples (a binary counter and transition systems) of "programming" with reaction systems. It also provides a tour of some research themes.

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12

Field, Richard J. "Chaos in the Belousov–Zhabotinsky reaction." Modern Physics Letters B 29, no. 34 (2015): 1530015. http://dx.doi.org/10.1142/s021798491530015x.

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The dynamics of reacting chemical systems is governed by typically polynomial differential equations that may contain nonlinear terms and/or embedded feedback loops. Thus the dynamics of such systems may exhibit features associated with nonlinear dynamical systems, including (among others): temporal oscillations, excitability, multistability, reaction-diffusion-driven formation of spatial patterns, and deterministic chaos. These behaviors are exhibited in the concentrations of intermediate chemical species. Bifurcations occur between particular dynamic behaviors as system parameters are varied

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Abdolhamid, Alizadeh, Karami Changiz, Marvi Omid, Bahrami Behzad, Moradi Anita, and Ali Taher Mohammad. "Modification on the surface of gold nanoparticles with imine formation and cycloaddition reaction." Current Organic Chemistry 27, no. 24 (2017): 2502–8. https://doi.org/10.2174/1385272821666170420180806.

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Background: In recent years, the preparation, characterization, and surface modification of nanostructured materials have become topics of great interest because of their unique properties and possible uses in technological applications. One powerful example is the embracement of “interfacial organic chemistry” by the materials science community. Objective: This study was mainly directed towards incorporating solution phase reaction systems into the structure of self-assembled monolayers on gold nanoparticles to develop strategies to exploit the interfacial reactions of these syste

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14

Puszynski, J., S. Kumar, P. Dimitriou, and V. Hlavacek. "A Numerical and Experimental Study of Reaction Front Propagation in Condensed Phase Systems." Zeitschrift für Naturforschung A 43, no. 12 (1988): 1017–25. http://dx.doi.org/10.1515/zna-1988-1202.

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Certain noncatalytic exothermic chemical reactions of the type solid-solid characterized by high values of activation energy and heat of reaction represent an example of strongly nonlinear chemically reacting systems. In these systems different types of propagating waves can be observed such as constant pattern, planar pulsating, and rotating waves. Numerical simulations in two and three spatial dimensions predict, qualitatively, the same behavior as experimentally observed. For geometrically large systems multihead spinning or erratic waves occur, which bifurcate from a planar pulsating front

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Volpert, V. A., Y. Nec, and A. A. Nepomnyashchy. "Fronts in anomalous diffusion–reaction systems." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 371, no. 1982 (2013): 20120179. http://dx.doi.org/10.1098/rsta.2012.0179.

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A review of recent developments in the field of front dynamics in anomalous diffusion–reaction systems is presented. Both fronts between stable phases and those propagating into an unstable phase are considered. A number of models of anomalous diffusion with reaction are discussed, including models with Lévy flights, truncated Lévy flights, subdiffusion-limited reactions and models with intertwined subdiffusion and reaction operators.

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Duarte, Belmiro P. M., and Maria J. Moura. "Using rheological monitoring to determine the gelation kinetics of chitosan-based systems." Mathematical Biosciences and Engineering 20, no. 1 (2022): 1176–94. http://dx.doi.org/10.3934/mbe.2023054.

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<abstract><p>The modeling of polymeric reactions is a topic of large interest. The gelation reactions that may result from self-crosslinking or hybrid (agent based-) crosslinking are examples with interest specially in biomaterials applications. The composition of polymer entities during the reaction is hard to follow, and their concentration is not a good measure of the system dynamics. One alternative is monitoring the rheological behavior of the reacting mass, and relate the elastic modulus of the mixture with the rheological degree of conversion. In this paper we use rheologica

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17

Salmar, Siim, Jaak Järv, Tiina Tenno, and Ants Tuulmets. "Role of water in determining organic reactivity in aqueous binary solvents." Open Chemistry 10, no. 5 (2012): 1600–1608. http://dx.doi.org/10.2478/s11532-012-0080-8.

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AbstractKinetic data for organic reactions in various binary water-organic solvent mixtures were collected and quantitatively analysed in terms of linear-free-energy relationships by using tert-butyl chloride (2-chloro-2-methylpropane) solvolysis as the reference system. Linear similarity plots for these kinetic data were determined for solvent systems ranging from pure water mixtures up to considerable amount of cosolvent, and 161 similarity coefficients were calculated from slopes of these plots. The existence of these linear plots demonstrated that the solvent effects are of some common nat

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18

MANZONI, LUCA, DIOGO POÇAS, and ANTONIO E. PORRECA. "SIMPLE REACTION SYSTEMS AND THEIR CLASSIFICATION." International Journal of Foundations of Computer Science 25, no. 04 (2014): 441–57. http://dx.doi.org/10.1142/s012905411440005x.

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Reaction systems are a model of computation inspired by biochemical reactions involving reactants, inhibitors and products from a finite background set. We define a notion of multi-step simulation among reaction systems and derive a classification with respect to the amount of resources (reactants and inhibitors) involved in each reaction. We prove that “simple” reaction systems, having at most one reactant and one inhibitor per reaction, suffice in order to simulate arbitrary systems. Finally, we show that the equivalence relation of mutual simulation induces exactly five linearly ordered cla

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19

Gurevich, Pavel, and Sergey Tikhomirov. "Systems of reaction-diffusion equations with spatially distributed hysteresis." Mathematica Bohemica 139, no. 2 (2014): 239–57. http://dx.doi.org/10.21136/mb.2014.143852.

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20

Drábek, Pavel, Milan Kučera, and Marta Míková. "Bifurcation points of reaction-diffusion systems with unilateral conditions." Czechoslovak Mathematical Journal 35, no. 4 (1985): 639–60. http://dx.doi.org/10.21136/cmj.1985.102055.

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21

Khan, Urmee, and Maxwell B. Stinchcombe. "The Virtues of Hesitation: Optimal Timing in a Non-Stationary World." American Economic Review 105, no. 3 (2015): 1147–76. http://dx.doi.org/10.1257/aer.20121282.

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In many economic, political, and social situations, circumstances change at random points in time, reacting is costly, and reactions appropriate to present circumstances may become inappropriate upon future changes, requiring further costly reaction. Waiting is informative if arrival of the next change has non-constant hazard rate. We identify two classes of situations: in the first, delayed reaction is optimal only when the hazard rate of further changes is decreasing; in the second, it is optimal only when the hazard rate of further changes is increasing. These results in semi-Markovian deci

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22

Horno, José, and Carlos F. González-Fernández. "Analysis of chemical reaction systems by means of network thermodynamics." Collection of Czechoslovak Chemical Communications 54, no. 9 (1989): 2335–44. http://dx.doi.org/10.1135/cccc19892335.

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The simple network thermodynamics approach is applied to chemical reaction systems, whereby chemical reactions can be studied avoiding complex mathematical treatment. Steady state reaction rates are obtained for two chemical reaction systems, viz. the decomposition of ozone and the reaction of hydrogen with bromine. The rate equations so obtained agree with those derived from the chemical kinetics concept.

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Grobe, Joseph, Duc Le Van та Thomas Großpietsch. "Reaktive E=C(p-p)π-Systeme, XXVIII / Reactive E=C(p-p)π-Systems, XXVIII". Zeitschrift für Naturforschung B 46, № 8 (1991): 978–84. http://dx.doi.org/10.1515/znb-1991-0802.

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The reaction of perfluoro-2-phosphapropene F3CP=CF2 (1) with tert-butylamine or isopropylamine in a 1:3 molar ratio leads to the novel iminomethylene phosphanes F3CP=C=N(tBu) [(2), 30% yield] and F3CP=C=N(iPr) [(3), 5%], respectively. 2 slowly decomposes at room temperature giving tert-butylisonitrile and the cyclophosphanes (F3CP)n (n = 3, 4, 5). 3 is found to be less stable than 2 and for example is attacked by primary amines. The reaction of 2 with 2,3-dimethyl-1,3-butadiene or trimethylphosphane yields, on the one hand, the cycloaddition product of bis(trifluormethyl)diphosphene (4), and o

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24

Allwardt, Arne, Norbert Stoll, Christian Wendler, and Kerstin Thurow. "New Developments in the Field of Reaction Technology: The Multiparallel Reactor HPMR 50-96." Journal of Automated Methods and Management in Chemistry 2005, no. 1 (2005): 26–30. http://dx.doi.org/10.1155/jammc.2005.26.

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Catalytic high-pressure reactions play an important role in classic bulk chemistry. The optimization of common reactions, the search for new and more effective catalysts, and the increasing use of catalytic pressure reactions in the field of drug development call for high-parallel reaction systems. A crucial task of current developments, apart from the parameters of pressure, temperature, and number of reaction chambers, is, in this respect, the systems' integration into complex laboratory automation environments.

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25

Rahman, Sheikh Tareq, Kyong Yop Rhee, and Soo-Jin Park. "Nanostructured multifunctional electrocatalysts for efficient energy conversion systems: Recent perspectives." Nanotechnology Reviews 10, no. 1 (2021): 137–57. http://dx.doi.org/10.1515/ntrev-2021-0008.

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Abstract Electrocatalysts play a significant performance in renewable energy conversion, supporting several sustainable methods for future technologies. Because of the successful fabrication of distinctive oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) electrocatalysts, bifunctional ORR/OER and HER/OER electrocatalysts have become a hot area of contemporary research. ORR, OER, and HER have gained considerable attention because of their strong performance in different energy conversion and storage devices, including water-splitting device

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26

Incarbone, Sara, and Luca De Gioia. "Computational Analysis of the Kinetic Requirements for Coupled Reaction Systems." Molecules 30, no. 4 (2025): 911. https://doi.org/10.3390/molecules30040911.

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The art of designing coupling systems to drive reactions for endergonic synthesis is a subject of great interest in the scientific community, but it still presents major challenges. The aim of this kinetic study was to run simulations in COPASI 4.39 to test the behavior of hypothetical models for a system that couples two independent reactions, one exergonic and the other endergonic. In our computational study, we unraveled the qualitative and quantitative conditions that allow and benefit coupling, considering all possible reaction pathways within the network. Optimal conditions were reached

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Bagossy, Attila, and György Vaszil. "Simulating reversible computation with reaction systems." Journal of Membrane Computing 2, no. 3 (2020): 179–93. http://dx.doi.org/10.1007/s41965-020-00049-9.

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Abstract Reaction systems are a formal model of computation providing a framework for investigating biochemical reactions inside living cells. We look at the functioning of these systems as a process producing a series of different possible sets of entities representing states which can be changed by the application of reactions, and we study reversibility and its simulation in this framework. Our goal is to establish an Undo-Redo-Do-like semantics of reversibility with environmental control over the direction of the computation following a so-called no-memory approach, that is, without introd

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Perepezko, J. H., S. D. Imhoff, and R. Sakidja. "Analysis and Control of Interface Reactions in Microelectronic Systems." International Symposium on Microelectronics 2011, no. 1 (2011): 000264–74. http://dx.doi.org/10.4071/isom-2011-tp2-paper6.

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Multilayer, multicomponent architectures are ubiquitous in microelectronic systems over size scales ranging from microns to nanometers. During device fabrication and use reactions at component interfaces often occur and lead to both beneficial and deleterious product phases. The analysis of the reactions is an essential component in developing strategies for reaction control. An effective approach for the analysis of interface reactions is presented based upon the interpretation of the interface microstructure evolution in terms of the operative multicomponent diffusion pathway where the influ

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Jiang, Richard, Prashant Singh, Fredrik Wrede, Andreas Hellander, and Linda Petzold. "Identification of dynamic mass-action biochemical reaction networks using sparse Bayesian methods." PLOS Computational Biology 18, no. 1 (2022): e1009830. http://dx.doi.org/10.1371/journal.pcbi.1009830.

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Identifying the reactions that govern a dynamical biological system is a crucial but challenging task in systems biology. In this work, we present a data-driven method to infer the underlying biochemical reaction system governing a set of observed species concentrations over time. We formulate the problem as a regression over a large, but limited, mass-action constrained reaction space and utilize sparse Bayesian inference via the regularized horseshoe prior to produce robust, interpretable biochemical reaction networks, along with uncertainty estimates of parameters. The resulting systems of

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Bliss, James P., Laticia Bowens, Rebecca Krefting, Ashley Byler, and Anastasia Gibson. "Collective Mistrust of Alarms." Proceedings of the Human Factors and Ergonomics Society Annual Meeting 46, no. 17 (2002): 1584–88. http://dx.doi.org/10.1177/154193120204601712.

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Recently, alarm systems have become more sensitive and ubiquitous. Unfortunately, sensitive alarm systems may produce greater numbers of false alarms, lowering an operator's level of trust and degrading task performance. In the past, researchers have considered only situations where individuals react to alarms. Because of the frequency and variability of teamed alarm reaction scenarios, we investigated the reactions of independent and dependent teams to marginally reliable alarms. Based on prior literature, we expected dependent teams to show slower but more appropriate alarm reactions and poo

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Renbaum, L. H., and G. D. Smith. "Artifacts in measuring aerosol uptake kinetics: the roles of time, concentration and adsorption." Atmospheric Chemistry and Physics Discussions 11, no. 3 (2011): 7971–8002. http://dx.doi.org/10.5194/acpd-11-7971-2011.

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Abstract. In laboratory studies of organic aerosol particles reacting with gas-phase oxidants, high concentrations of radicals are often used to study on the timescale of seconds reactions which may be occurring over days or weeks in the troposphere. Implicit in this approach is the assumption that radical concentration and time are interchangeable parameters, though this has not been established. Here, the kinetics of OH- and Cl-initiated oxidation reactions of model single-component liquid organic aerosols (squalane, brassidic acid and 2-octyldodecanoic acid) are studied by varying separatel

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Renbaum, L. H., and G. D. Smith. "Artifacts in measuring aerosol uptake kinetics: the roles of time, concentration and adsorption." Atmospheric Chemistry and Physics 11, no. 14 (2011): 6881–93. http://dx.doi.org/10.5194/acp-11-6881-2011.

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Abstract. In laboratory studies of organic aerosol particles reacting with gas-phase oxidants, high concentrations of radicals are often used to study on the timescale of seconds reactions which may be occurring over days or weeks in the troposphere. Implicit in this approach is the assumption that radical concentration and time are interchangeable parameters, though this has not been established. Here, the kinetics of OH- and Cl-initiated oxidation reactions of model single-component liquid (squalane) and supercooled (brassidic acid and 2-octyldodecanoic acid) organic aerosols are studied by

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Fuchs, Sonja, Arumugam Jayaraman, Ivo Krummenacher, et al. "Diboramacrocycles: reversible borole dimerisation–dissociation systems." Chemical Science 13, no. 10 (2022): 2932–38. http://dx.doi.org/10.1039/d1sc06908j.

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Diboramacrocycles are a new form of borole dimers, participating in various addition reactions as “masked” boroles. The reaction of a less crowded diboramacrocycle with organic azides affords unprecedented complex heteropropellanes.

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Woolschlager, J., B. Rittmann, P. Piriou, L. Kiene, and B. Schwartz. "Using a comprehensive model to identify the major mechanisms of chloramine decay in distribution systems." Water Supply 1, no. 4 (2001): 103–10. http://dx.doi.org/10.2166/ws.2001.0073.

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The principle mechanisms of chloramine residual decay in drinking water distribution systems is examined using a comprehensive model of chloramine reactions calibrated to distribution system data. The results reveal that four principle chloramine decay mechanisms must be considered, including: reactions with hypochlorous acid/ion (HOCl/OCl-); an auto- catalytic reaction in which chloramines spontaneously decay in the absence of other reactants; oxidation reactions with reduced forms of organics and iron; and biologically-catalyzed reactions, such as the reactions with nitrite produced by nitri

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Merk, Bruno, Markus Fath, Hans Pritzkow та Hans Peter Latscha. "Synthese und Untersuchung neuer 1λ5, 4λ5-Diphosphapentalen- und 1λ5,4λ5 - sowie 1λ5,5λ5-Diphosphaazulen-Systeme / Synthesis of New 1λ5,4λ5-Diphosphapentalene- and 1λ5,5λ5-Diphosphaazulene Systems". Zeitschrift für Naturforschung B 52, № 1 (1997): 1–8. http://dx.doi.org/10.1515/znb-1997-0102.

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Bis[bis(dimethylamino)phosphino]acetylene (2a) and two molecules of dimethyl- and diethyl-acetylenedicarboxylate (1a /1b ) react in a criss-cross-cycloaddition to yield 1λ5 ,4λ5- diphosphapentalenes (3), which react further with 1 to yield a 1λ5 ,4λ5-diphosphaazulenes (5). A mechanism of both reactions is proposed. The reaction of 1λ5,4λ5-diphosphaazulene with 1a at high pressure yields 1,1,4,4-tetrakis(dimethylamino)-3,5,6,7,8 -pentakis(methoxycarbonyl)- 2-[1,2,2tris(methoxycarbonyl)ethenyl]-1λ5,4λ5 -diphosphaazulene (7). The reaction of bis(diphenylphosphino) acetylene (2c) with 1a yields 1,

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Takahashi, Jun-ichi, Yuichi Utsumi, Teruo Hosokawa, Jun Ushiki, and Toshiaki Tadano. "A beamline for photochemical processes at atmospheric pressure." Journal of Synchrotron Radiation 5, no. 3 (1998): 548–50. http://dx.doi.org/10.1107/s0909049597017585.

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A beamline especially designed for atmospheric photochemical reactions has been constructed at the NTT synchrotron radiation facility. By inserting a buffer helium chamber with Be and Si3N4 partition windows between the beamline and the reaction chamber, studies can be performed without the differential pumping systems normally used in existing photochemistry beamlines. The reaction chamber is equipped with a gas supply system and analysis systems to investigate gas-phase and surface reactions. Purging using dry purified gases in combination with water-bubbling gives effective control of water

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Blajer, W. "A Projection Method Approach to Constrained Dynamic Analysis." Journal of Applied Mechanics 59, no. 3 (1992): 643–49. http://dx.doi.org/10.1115/1.2893772.

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The paper presents a unified approach to the dynamic analysis of mechanical systems subject to (ideal) holonomic and/or nonholonomic constraints. The approach is based on the projection of the initial (constraint reaction-containing) dynamical equations into the orthogonal and tangent subspaces; the orthogonal subspace which is spanned by the constraint vectors, and the tangent subspace which complements the orthogonal subspace in the system’s configuration space. The tangential projection gives the reaction-free (or purely kinetic) equations of motion, whereas the orthogonal projection determ

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Pekař, Miloslav. "Reaction-Diffusion Systems: Self-Balancing Diffusion and the Use of the Extent of Reaction as a Descriptor of Reaction Kinetics." International Journal of Molecular Sciences 23, no. 18 (2022): 10511. http://dx.doi.org/10.3390/ijms231810511.

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Self-balancing diffusion is a theoretical concept that restricts the introduction of extents of reactions. This concept is analyzed in detail for general mass- and molar-based balances of reaction-diffusion mixtures, in relation to non-self-balancing cases, and with respect to its practical consequences. Self-balancing is a mathematical restriction on the divergences of diffusion fluxes. Fulfilling this condition enables the proper introduction of the extents of (independent) reactions that reduce the number of independent variables in thermodynamic descriptions. A note on a recent generalizat

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Eisner, Jan. "Reaction-diffusion systems: Destabilizing effect of conditions given by inclusions." Mathematica Bohemica 125, no. 4 (2000): 385–420. http://dx.doi.org/10.21136/mb.2000.126272.

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40

Friedly, John C. "Extent of reaction in open systems with multiple heterogeneous reactions." AIChE Journal 37, no. 5 (1991): 687–93. http://dx.doi.org/10.1002/aic.690370507.

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Glitzky, Annegret, and Rolf Hünlich. "Electro-Reaction-Diffusion Systems Including Cluster Reactions of Higher Order." Mathematische Nachrichten 216, no. 1 (2000): 95–118. http://dx.doi.org/10.1002/1522-2616(200008)216:1<95::aid-mana95>3.0.co;2-h.

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Upadhyay, Shrish Nath, and Srimanta Pakhira. "Mechanism of electrochemical oxygen reduction reaction at two-dimensional Pt-doped MoSe2 material: an efficient electrocatalyst." Journal of Materials Chemistry C 9, no. 34 (2021): 11331–42. http://dx.doi.org/10.1039/d1tc02193a.

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EHRENFEUCHT, ANDRZEJ, MICHAEL MAIN, and GRZEGORZ ROZENBERG. "COMBINATORICS OF LIFE AND DEATH FOR REACTION SYSTEMS." International Journal of Foundations of Computer Science 21, no. 03 (2010): 345–56. http://dx.doi.org/10.1142/s0129054110007295.

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Reaction systems are a functional model of interactions between biochemical reactions. They define functions on finite sets (over a common finite domain). In this paper, we investigate combinatorial properties of functions defined by reaction systems. In particular, we provide analytical approximations of combinatorial properties of random reaction systems, with a focus on the probability of whether a system lives or dies. Based on these results, we can create parameterized random reaction systems that rarely die. We also empirically analyze the length of time before such a system enters cycli

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Cassani, Andrea, Alessandro Monteverde, and Marco Piumetti. "Belousov-Zhabotinsky type reactions: the non-linear behavior of chemical systems." Journal of Mathematical Chemistry 59, no. 3 (2021): 792–826. http://dx.doi.org/10.1007/s10910-021-01223-9.

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AbstractChemical oscillators are open systems characterized by periodic variations of some reaction species concentration due to complex physico-chemical phenomena that may cause bistability, rise of limit cycle attractors, birth of spiral waves and Turing patterns and finally deterministic chaos. Specifically, the Belousov-Zhabotinsky reaction is a noteworthy example of non-linear behavior of chemical systems occurring in homogenous media. This reaction can take place in several variants and may offer an overview on chemical oscillators, owing to its simplicity of mathematical handling and se

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Carneiro de Oliveira, Jamerson, Marie-Pierre Laborie, and Vincent Roucoules. "Thermodynamic and Kinetic Study of Diels–Alder Reaction between Furfuryl Alcohol and N-Hydroxymaleimides—An Assessment for Materials Application." Molecules 25, no. 2 (2020): 243. http://dx.doi.org/10.3390/molecules25020243.

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The study of Diels–Alder reactions in materials science is of increasing interest. The main reason for that is the potential thermoreversibility of the reaction. Aiming to predict the behavior of a material modified with maleimido and furyl moieties, 1H NMR and UV-Vis solution studies of the Diels–Alder reaction between furfuryl alcohol and two N-hydroxymaleimides are explored in the present study. Rate constants, activation energy, entropy, and enthalpy of formation were determined from each technique for both reacting systems. Endo and exo isomers were distinguished in 1H NMR, and the transi

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Yu Filimonov, V., and K. B. Koshelev. "Critical autoignition conditions for arbitrary reaction order." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 475, no. 2227 (2019): 20180601. http://dx.doi.org/10.1098/rspa.2018.0601.

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In this paper, the theoretical analysis of the critical autoignition conditions for exothermically reacting systems at any value of the reaction order was conducted. The calculated and approximate analytical dependencies for the relationship between the parameters at the ignition limit were obtained. On the basis of the obtained diagrams of critical parameters, the conditions of thermal explosion (TE) degeneration for reactions of arbitrary order were determined. It was established that the existing theory of TE gives the correct estimates of ignition temperatures for a given condition of exot

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Korakianitis, T., R. Dyer, and N. Subramanian. "Pre-integrated Nonequilibrium Combustion-Response Mapping for Gas Turbine Emissions." Journal of Engineering for Gas Turbines and Power 126, no. 2 (2004): 300–305. http://dx.doi.org/10.1115/1.1688769.

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In gas turbine combustion the gas dynamic and chemical energy release mechanisms have comparable time scales, so that equilibrium chemistry is inadequate for predicting species formation (emissions). In current practice either equilibrium chemical reactions are coupled with experimentally derived empirical equations, or time-consuming computations are used. Coupling nonequilibrium chemistry, fluid dynamic, and initial and boundary condition equations results in large sets of numerically stiff equations; and their time integration demands enormous computational resources. The response modeling

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Tian, Junying, Xiaowei Cheng, Yingying Fan, et al. "Progress of Reactions between Furfural and Aliphatic Alcohols via Catalytic Oxidation Processes: Reaction Routes, Catalysts, and Perspectives." Processes 11, no. 2 (2023): 640. http://dx.doi.org/10.3390/pr11020640.

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Furfural is one of the most important biomass platform compounds and can be used to prepare various high-value-added chemicals. The reactions of furfural with aliphatic alcohols via an oxidative esterification reaction or oxidative condensation reaction can bond two carbon molecules together and produce longer hydrocarbon chains chemicals, including methylfuroate and some low-volatility liquid biomass fuels. Thus, these reactions are considered significant utilization routes of furfural, and many inspiring catalytic systems have been designed to promoted these reactions. In this work, the repo

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Kaldre, Dainis, Fabrice Gallou, Christof Sparr, and Michael Parmentier. "Interface-rich Aqueous Systems for Sustainable Chemical Synthesis." CHIMIA International Journal for Chemistry 73, no. 9 (2019): 714–19. http://dx.doi.org/10.2533/chimia.2019.714.

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Mimicking an enzyme's exquisite activity and selectivity is a long-standing goal for sustainable chemical method development in aqueous media. The use of interface-rich aqueous systems, such as single-chain polymers, micelles and vesicle membranes recently emerged as strategy to emulate the compartmentalization of natural systems. In aqueous solution, aggregates such as micelles or microemulsion droplets are formed, providing reaction environments different from bulk solutions that frequently improve selectivity and accelerate reaction rates for a wide array of chemical transformations. We pre

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Suárez-Pantiga, Samuel, and José M. González. "Electrophilic activation of unsaturated systems: Applications to selective organic synthesis." Pure and Applied Chemistry 85, no. 4 (2013): 721–39. http://dx.doi.org/10.1351/pac-con-12-10-24.

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Selected examples from previous work on iodonium-triggered approaches for the functionalization of unsaturated systems, which summarize innovative transformations, are presented. This section is mostly focused on C–C bond-forming processes from alkynes that are directly bonded to relevant heteroatoms, such as iodine, silicon, or sulfur. Besides, recent advances related to iodonium-promoted C–H functionalization reactions are briefly outlined. A second section shows representative examples of our current research activity on electrophilic reactions aimed at the activation of unsaturated systems

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