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Relevant bibliographies by topics / Chemical kinetics and dynamics

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Academic literature on the topic 'Chemical kinetics and dynamics'

Author: Grafiati

Published: 17 September 2021

Last updated: 30 July 2025

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Journal articles on the topic "Chemical kinetics and dynamics"

1

PRIGOGINE, ILYA. "Chemical Kinetics and Dynamics." Annals of the New York Academy of Sciences 988, no. 1 (2003): 128–32. http://dx.doi.org/10.1111/j.1749-6632.2003.tb06091.x.

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Simon, Cory M. "The SIR dynamic model of infectious disease transmission and its analogy with chemical kinetics." PeerJ Physical Chemistry 2 (September 18, 2020): e14. http://dx.doi.org/10.7717/peerj-pchem.14.

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Mathematical models of the dynamics of infectious disease transmission are used to forecast epidemics and assess mitigation strategies. In this article, we highlight the analogy between the dynamics of disease transmission and chemical reaction kinetics while providing an exposition on the classic Susceptible–Infectious–Removed (SIR) epidemic model. Particularly, the SIR model resembles a dynamic model of a batch reactor carrying out an autocatalytic reaction with catalyst deactivation. This analogy between disease transmission and chemical reaction enables the exchange of ideas between epidem

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Ilyin, Daniil V., William A. Goddard, Julius J. Oppenheim, and Tao Cheng. "First-principles–based reaction kinetics from reactive molecular dynamics simulations: Application to hydrogen peroxide decomposition." Proceedings of the National Academy of Sciences 116, no. 37 (2018): 18202–8. http://dx.doi.org/10.1073/pnas.1701383115.

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This paper presents our vision of how to use in silico approaches to extract the reaction mechanisms and kinetic parameters for complex condensed-phase chemical processes that underlie important technologies ranging from combustion to chemical vapor deposition. The goal is to provide an analytic description of the detailed evolution of a complex chemical system from reactants through various intermediates to products, so that one could optimize the efficiency of the reactive processes to produce the desired products and avoid unwanted side products. We could start with quantum mechanics (QM) t

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Billing, G. D., K. V. Mikkelsen, and Donald G. Truhlar. "Introduction to Molecular Dynamics and Chemical Kinetics." Physics Today 49, no. 10 (1996): 74–76. http://dx.doi.org/10.1063/1.2807812.

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Dykstra, Clifford E. "Introduction to molecular dynamics and chemical kinetics." Journal of Molecular Structure: THEOCHEM 389, no. 1-2 (1997): 200. http://dx.doi.org/10.1016/s0166-1280(97)88311-x.

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Scherzer, K. "Introduction to Molecular Dynamics and Chemical Kinetics." Zeitschrift für Physikalische Chemie 203, Part_1_2 (1998): 247. http://dx.doi.org/10.1524/zpch.1998.203.part_1_2.247.

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Klinman, Judith P., and Amnon Kohen. "Evolutionary Aspects of Enzyme Dynamics." Journal of Biological Chemistry 289, no. 44 (2014): 30205–12. http://dx.doi.org/10.1074/jbc.r114.565515.

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The role of evolutionary pressure on the chemical step catalyzed by enzymes is somewhat enigmatic, in part because chemistry is not rate-limiting for many optimized systems. Herein, we present studies that examine various aspects of the evolutionary relationship between protein dynamics and the chemical step in two paradigmatic enzyme families, dihydrofolate reductases and alcohol dehydrogenases. Molecular details of both convergent and divergent evolution are beginning to emerge. The findings suggest that protein dynamics across an entire enzyme can play a role in adaptation to differing phys

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Krenos, John R. "Chemical Kinetics and Reaction Dynamics (Houston, Paul L.)." Journal of Chemical Education 78, no. 11 (2001): 1466. http://dx.doi.org/10.1021/ed078p1466.

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Tipping, E. "Chemical kinetics and process dynamics in aquatic systems." Environmental Pollution 87, no. 1 (1995): 131–32. http://dx.doi.org/10.1016/s0269-7491(99)80016-5.

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Walter, Lynn M. "Chemical kinetics and process dynamics in aquatic systems." Organic Geochemistry 23, no. 2 (1995): 189. http://dx.doi.org/10.1016/0146-6380(95)90027-6.

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Dissertations / Theses on the topic "Chemical kinetics and dynamics"

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Heard, Dwayne Ellis. "Laser studies of chemical kinetics." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.258025.

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Vaidyaraman, Sundar. "Kinetics of the bosch reaction." Thesis, Georgia Institute of Technology, 1992. http://hdl.handle.net/1853/10277.

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Perrman, Delmar. "Nonlinear effects in chemical dynamics and chemical kinetics: Chaos in physical chemistry." Thesis, University of Ottawa (Canada), 1994. http://hdl.handle.net/10393/9500.

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This work shows that nonlinear dynamic systems are quite different from linear dynamic systems. The usual phase plots of linear and nonlinear dynamical systems are also distinctly different, even before damping or forcing terms are added. It is also shown that the usual phase plot allows for the visualization of unobservable information that is present in the times series. The higher-order phase plots give yet additional information that is not present in the existing methods of plotting the data. Higher-order phase plots were originated and applied for the first time to a dynamical system (Mo

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Calderini, Danilo. "Kinetics and dynamics for chemical reactions in gas phase." Doctoral thesis, Scuola Normale Superiore, 2016. http://hdl.handle.net/11384/85818.

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A deep understanding of molecular reactions is a challenging task since the range of time and energy covered implies a wide and dense grid for the numerical representation of the reactive Hamiltonian. For a computational chemist, the accurate prediction of its value starting from the definition of reactants and products is fascinating and demanding, but can be extremely useful for further investigation and optimization problems. Several methods, all derived by the Transition State Theory, have been developed to avoid the computational cost of the Hamiltonian representation on a large, multid

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Ferreira, Matheus. "The Kinetics and Dynamics of Schizosaccharomyces pombe Riboflavin Kinase." Thesis, Umeå universitet, Kemiska institutionen, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-150544.

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Yan, Jiarui. "Kinetics and Ensemble Dynamics of Colloidal Ellipsoids near an AC Electrode." Cleveland State University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=csu1537378570394163.

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Hall, Charles A. "Kinetics and mass-transfer effects in batch alkoxylations." Thesis, Georgia Institute of Technology, 1987. http://hdl.handle.net/1853/11213.

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Neugebohren, Jannis. "Implementing Ion Imaging to Probe Chemical Kinetics and Dynamics at Surfaces." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://hdl.handle.net/11858/00-1735-0000-002E-E43B-1.

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Reeves, Christopher Thomas. "Kinetics and dynamics of adsorption on single crystal semiconductor and metal surfaces." Access restricted to users with UT Austin EID Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3035962.

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Spangler, Robert S. "The stability of the iodate-arsenous acid reaction front while advected by Poiseuille flow." Morgantown, W. Va. : [West Virginia University Libraries], 2005. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=4285.

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Thesis (Ph. D.)--West Virginia University, 2005.<br>Title from document title page. Document formatted into pages; contains v, 102, [9] p. : ill. Includes abstract. Includes bibliographical references (p. 95-97).

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Books on the topic "Chemical kinetics and dynamics"

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Salvadore, Francisco Joseph, and Hase William L, eds. Chemical kinetics and dynamics. Prentice Hall, 1989.

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Salvadore, Francisco Joseph, and Hase William L, eds. Chemical kinetics and dynamics. 2nd ed. Prentice Hall, 1999.

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3

E, Yurtsever, and NATO Advanced Study Institute on 'Frontiers of Chemical Dynamics' (1994 : Kemer, Kemer Bucağı, Antalya İli, Turkey), eds. Frontiers of chemical dynamics. Kluwer Academic Pubs., 1995.

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V, Mikkelsen Kurt, ed. Advanced molecular dynamics and chemical kinetics. Wiley, 1997.

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5

R, Barker John, ed. Advances in chemical kinetics and dynamics. JAI Press, 1992.

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1957-, Simon John D., ed. Ultrafast dynamics of chemical systems. Kluwer Academic Publishers, 1994.

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7

Billing, Gert D. Introduction to molecular dynamics and chemical kinetics. Wiley, 1996.

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8

A, Wiersma Douwe, ed. Femtosecond reaction dynamics: Proceedings of the colloquium 'Femtosecond Reaction Dynamics', Amsterdam, 17-19 May 1993. North-Holland, 1994.

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Brouard, M. Reaction dynamics. Oxford University Press, 1998.

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Kopin, Liu, and Wagner Albert 1945-, eds. The chemical dynamics and kinetics of small radicals. World Scientific, 1995.

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Book chapters on the topic "Chemical kinetics and dynamics"

1

Zhang, Xuejun Cai. "Fundamentals of Chemical Kinetics." In Structural Dynamics of Membrane Proteins. Springer Nature Singapore, 2025. https://doi.org/10.1007/978-981-96-1321-2_3.

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Friedman, Avner, and Chiu-Yen Kao. "Chemical Kinetics and Enzyme Dynamics." In Lecture Notes on Mathematical Modelling in the Life Sciences. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-08314-8_2.

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Lazman, Mark Z., and Gregory S. Yablonskii. "Kinetic Polynomial: A New Concept of Chemical Kinetics." In Patterns and Dynamics in Reactive Media. Springer New York, 1991. http://dx.doi.org/10.1007/978-1-4612-3206-3_8.

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Amadei, Andrea, and Massimiliano Aschi. "Mechanics and Dynamics of Quantum Systems." In Statistical Mechanics for Chemical Thermodynamics and Kinetics. Springer Nature Switzerland, 2025. https://doi.org/10.1007/978-3-031-77929-9_1.

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Clarke, J. F. "Physico-Chemical Gas Dynamics." In Kinetic Theory and Gas Dynamics. Springer Vienna, 1988. http://dx.doi.org/10.1007/978-3-7091-2762-9_5.

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Doren, Douglas J. "Kinetics and Dynamics of Hydrogen Adsorption and Desorption on Silicon Surfaces." In Advances in Chemical Physics. John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470141540.ch1.

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Walch, Stephen P., and Celeste McMichael Rohlfing. "Computed Potential Energy Surfaces for Chemical Reactions." In Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules. Springer Netherlands, 1989. http://dx.doi.org/10.1007/978-94-009-0945-8_5.

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Varfolomeev, Sergey, Viktor Bykov, and Svetlana Tsybenova. "Kinetic modelling of processes in the cholinergic synapse. Mechanisms of functioning and control methods." In ORGANOPHOSPHORUS NEUROTOXINS. Publishing Center RIOR, 2020. http://dx.doi.org/10.29039/22_127-139.

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The kinetic model describing the dynamics of synaptic “discharge” taking into account the kinetics of the injection of the neurotransmitter into the synaptic cleft, the pH-dependence of catalytic activity of the enzyme and diffusion withdrawal of protons is proposed and studied. In the framework of the kinetic model, the functioning of the cholinergic synapse is considered. The results of mathematical modeling of changes in the level of acetylcholine, induced pH impulse, the influence of the frequency of impulse transfer and inhibition of acetylcholinesterase are presented. Physico-chemical ex

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Varfolomeev, Sergey, Viktor Bykov, and Svetlana Tsybenova. "Kinetic modelling of processes in the cholinergic synapse. Mechanisms of functioning and control methods." In Organophosphorous Neurotoxins. Publishing Center RIOR, 2020. http://dx.doi.org/10.29039/chapter_5e4132b600e1c6.27895580.

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The kinetic model describing the dynamics of synaptic “discharge” taking into account the kinetics of the injection of the neurotransmitter into the synaptic cleft, the pH-dependence of catalytic activity of the enzyme and diffusion withdrawal of protons is proposed and studied. In the framework of the kinetic model, the functioning of the cholinergic synapse is considered. The results of mathematical modeling of changes in the level of acetylcholine, induced pH impulse, the influence of the frequency of impulse transfer and inhibition of acetylcholinesterase are presented. Physico-chemical ex

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Li, Cangsong, Jianfang Ding, Yankai Liao, and Song Lu. "Characteristics of Groundwater Dynamics and Hydrochemical Kinetics of Karst Tunnels." In Groundwater Chemical Kinetics and Fractal Characteristics of Karst Tunnel. Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-13-9953-4_3.

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Conference papers on the topic "Chemical kinetics and dynamics"

1

Cho, Bovinille Anye, George Mbella Teke, Godfrey K. Gakingo, Robert W. M. Pott, and Dongda Zhang. "CFD Simulations of Mixing Dynamics and Photobioreaction Kinetics in Miniature Bioreactors under Transitional Flow Regimes." In The 35th European Symposium on Computer Aided Process Engineering. PSE Press, 2025. https://doi.org/10.69997/sct.197756.

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Miniaturised stirred bioreactors are crucial in high-throughput bioprocesses for their simplicity and cost-effectiveness. To accelerate process optimisation in chemical and bioprocess industries, models that integrate CFD-predicted flow fields with (bio)reaction kinetics are needed. However, conventional two-step coupling methods, which freeze flow fields after solving hydrodynamics and then address (bio)reaction transport, face numerical challenges in miniaturised systems due to unsteady radial flows, recirculation zones, and secondary vortices. These flow fluctuations prevent steady-state hy

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Nešić, S., S. Wang, H. Fang, W. Sun, and J. K.-l. Lee. "A New Updated Model of CO2/H2S Corrosion in Multiphase Flow." In CORROSION 2008. NACE International, 2008. https://doi.org/10.5006/c2008-08535.

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Abstract Following the introduction of an integrated mechanistic model of CO2 corrosion in multiphase flow a few years ago, new advances have been made in understanding internal corrosion of mild steel pipelines. The original model was mechanistic and covered the key underlying processes such as: kinetics of electrochemical reactions at the steel surface, dynamics of coupled transient transport of multiple species between the bulk solution and the steel surface, through the turbulent boundary layer and through a porous surface film, kinetics of chemical reactions including precipitation of iro

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3

Bravo, Leonardo, Camilo Rengifo, Martha Cobo, and Manuel Figueredo. "A 2D Axisymmetric Transient State CFD Modelling of a Fixed-bed Reactor for Ammonia Synthesis." In The 35th European Symposium on Computer Aided Process Engineering. PSE Press, 2025. https://doi.org/10.69997/sct.158817.

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Power-to-Ammonia technology offers sustainable pathways for energy storage and chemical production, with fixed-bed reactors being critical components for efficient synthesis. Understanding reactor dynamics under varying conditions is essential for optimizing these systems, particularly when integrated with intermittent renewable energy sources. This study aims to develop and validate a 2D axisymmetric CFD model for analysing the dynamic response of a ruthenium-catalysed ammonia synthesis reactor to thermal perturbations. The model incorporates detailed reaction kinetics, multicomponent mass tr

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Rodriguez-Gil, Edwin A., and Rakesh Agrawal. "Internally Heated Crackers for Decarbonization and Optimization of Ethylene Production." In Foundations of Computer-Aided Process Design. PSE Press, 2024. http://dx.doi.org/10.69997/sct.168053.

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Ethylene is a crucial precursor for a diverse spectrum of products and services. As global production exceeds 150 million tons annually and is projected to surpass 255 million tons by 2035, the imperative for sustainable and efficient ethylene production becomes increasingly clear. Despite Externally Heated Crackers (EHCs) dominating ethylene production for over a century, they face intrinsic limitations that necessitate transformative solutions, including intense radial thermal gradients, high metal demand, and substantial CO2 emissions. This study employs a robust combination of Computationa

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Losev, Stalli. "Two temperature chemical kinetics in gas dynamics." In Fluid Dynamics Conference. American Institute of Aeronautics and Astronautics, 1996. http://dx.doi.org/10.2514/6.1996-2026.

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Moen, Christopher, and Harry Dwyer. "Numerical simulation of chemical kinetics in a supersonic chemical vapor deposition reactor." In 12th Computational Fluid Dynamics Conference. American Institute of Aeronautics and Astronautics, 1995. http://dx.doi.org/10.2514/6.1995-1676.

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Weiss, Jonathan. "Calculation of reacting flowfields involving stiff chemical kinetics." In 14th Computational Fluid Dynamics Conference. American Institute of Aeronautics and Astronautics, 1999. http://dx.doi.org/10.2514/6.1999-3369.

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Zhu, Xiaoyang. "Laser Probe Of Surface Reaction Dynamics." In Laser Applications to Chemical and Environmental Analysis. Optica Publishing Group, 1998. http://dx.doi.org/10.1364/lacea.1998.ltub.5.

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Understanding surface chemical kinetics is essential to the advancement of the frontiers of many vital technologies, such as semiconductor device fabrication and heterogeneous catalysis. This indisputable driving force, along with the rapid development of a large repertoire of atomic, molecular, and structural sensitive surface probes, has been responsible for the built-up of an immense literature on the chemical pathways and kinetics of a large number of molecules on an equally large number of solid surfaces. A typical example of a surface chemical study may involve the identification of surf

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Kolesnichenko, Evgeniy G., and Yuriy E. Gorbachev. "Chemical gas-dynamics beyond Wang Chang-Uhlenbeck's kinetics." In PROCEEDINGS OF THE 29TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4902647.

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Katta, Viswanath, and William Roquemore. "Calculation of Multi-Dimensional Flames Using Large Chemical Kinetics." In 37th AIAA Fluid Dynamics Conference and Exhibit. American Institute of Aeronautics and Astronautics, 2007. http://dx.doi.org/10.2514/6.2007-4418.

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Reports on the topic "Chemical kinetics and dynamics"

1

Rowland, F. S. Research in chemical kinetics. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/5523915.

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Matthew Johnson, Scott Lucas, and Pavel Tsvetkov. Modeling of Reactor Kinetics and Dynamics. Office of Scientific and Technical Information (OSTI), 2010. http://dx.doi.org/10.2172/989898.

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Redner, Sidney. Kinetics and Dynamics of Reacting Systems. Defense Technical Information Center, 1993. http://dx.doi.org/10.21236/ada264046.

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Kee, R., F. Rupley, and J. Miller. Chemkin-II: A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics. Office of Scientific and Technical Information (OSTI), 1989. http://dx.doi.org/10.2172/5681118.

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Rowland, F. S. Research in chemical kinetics. Annual report. Office of Scientific and Technical Information (OSTI), 1986. http://dx.doi.org/10.2172/453455.

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Law, Chung K. Chemical Kinetics and Aerodynamics of Ignition. Defense Technical Information Center, 2004. http://dx.doi.org/10.21236/ada429385.

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Olsen, Mitchell, and Willson. L52248 Investigation of Formaldehyde Chemical Kinetics. Pipeline Research Council International, Inc. (PRCI), 2004. http://dx.doi.org/10.55274/r0011246.

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The program is divided into two parts, which are (1) chemical kinetic modeling and (2) plug flow reactor tests. The chemical kinetic modeling focuses on the development of a model that can accurately predict formaldehyde formation and destruction. The most recent version of Chemkin is utilized with various kinetic mechanisms, including GRI-Mech. Numerous kinetic mechanisms are examined in order to select the most accurate one for predicting formaldehyde formation and destruction. The plug flow reactor tests consist of a series of steady state experimental investigations aimed at characterizing

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Nesbitt, David J. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals. Office of Scientific and Technical Information (OSTI), 2013. http://dx.doi.org/10.2172/1089512.

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Rabitz, Herschel, and Tak-San Ho. Studies in Chemical Dynamics. Office of Scientific and Technical Information (OSTI), 2003. http://dx.doi.org/10.2172/812018.

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Kee, R. J., F. M. Rupley, E. Meeks, and J. A. Miller. CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics. Office of Scientific and Technical Information (OSTI), 1996. http://dx.doi.org/10.2172/481621.

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