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A Lagrangian dispersion model with chemical reactions
International Journal of Environment and Pollution, 2011A Lagrangian stochastic (single particle) model is modified in order to account for simple chemistry reactions and tested against measured wind tunnel data. These data refers to a reactive plume generated by a single point source of NO inside a turbulent grid flow doped with ozone.
Alessandrini S, Ferrero E, Belfiore G
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, 1980
The time correlation function (tcf) formulas for rate constants κ derived via the stable states picture (SSP) of chemical reactions are applied to a wide variety (a–d) of gas and solution phase reaction models. (a) For gas phase bimolecular reactions, we
R. F. Grote, J. Hynes
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The time correlation function (tcf) formulas for rate constants κ derived via the stable states picture (SSP) of chemical reactions are applied to a wide variety (a–d) of gas and solution phase reaction models. (a) For gas phase bimolecular reactions, we
R. F. Grote, J. Hynes
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Using chemical reactions to model service composition
Proceedings of the second international workshop on Self-organizing architectures, 2010Internet is evolving from a network of computers and information into a network of services allowing applications to be built by selecting services and composing them in a loosely coupled manner. These Service Based Applications (SBA) are composed of a number of possibly independent services that are provided by many actors under different conditions ...
Di Napoli C +3 more
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Modeling chemical reactions for drug design
Journal of Computer-Aided Molecular Design, 2007Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity.
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Mathematical modelling of chemical clock reactions
Journal of Engineering Mathematics, 1993A clock reaction is a chemical reaction which gives rise to an initial induction period before a significant concentration of one of the chemical species involved is produced. We study four closely related isothermal model reactions schemes which can exhibit clock reaction behaviour in a well-stirred situation.
John Billingham, David Needham
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Simplification of Mathematical Models of Chemical Reaction Systems.
Chemical Reviews, 1998Detailed modeling of complex reaction systems is becoming increasingly important in the development, analysis, design, and control of chemical reaction processes.
Miles S. Okino, M. Mavrovouniotis
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The Chemical Reaction Model Recent Developments and Prospects
2008In 2001, we gave a survey of more than fifteen years of research on the chemical paradigm which had been a source of inspiration in many different research areas. The present article presents a digest of recent advances concerning the chemical reaction model.
Fradet, Pascal +2 more
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Modeling Chemical Reactions with the Gaussian Gun
Journal of Chemical Education, 2018In this article, we describe how the Gaussian Gun, a simple configuration of magnets and ball bearings, can be leveraged to connect ideas from physics to representations and ideas that are central to chemistry and challenging for students to learn. In particular, we show how the Gaussian Gun, an arrangement of ball bearings and magnets, models much of ...
Leslie Atkins Elliott +2 more
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, 2016
This paper studies a mathematical formalism of nonequilibrium thermodynamics for chemical reaction models with N species, M reactions, and general rate law. We establish a mathematical basis for J. W. Gibbs’ macroscopic chemical thermodynamics under G. N.
Hao Ge, H. Qian
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This paper studies a mathematical formalism of nonequilibrium thermodynamics for chemical reaction models with N species, M reactions, and general rate law. We establish a mathematical basis for J. W. Gibbs’ macroscopic chemical thermodynamics under G. N.
Hao Ge, H. Qian
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The Energy Release Characteristics of Shock-Induced Chemical Reaction of Al/Ni Composites
, 2016In this paper, the energy release mechanism of shock-induced chemical reaction (SICR) of Al/Ni composites was investigated. The Al/Ni composites with two additives, namely Teflon (PTFE) and copper (Cu), were considered in both theoretical calculations ...
W. Xiong +4 more
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