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A Lagrangian dispersion model with chemical reactions

International Journal of Environment and Pollution, 2011
A 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
openaire   +3 more sources

The stable states picture of chemical reactions. II. Rate constants for condensed and gas phase reaction models

, 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
semanticscholar   +1 more source

Using chemical reactions to model service composition

Proceedings of the second international workshop on Self-organizing architectures, 2010
Internet 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
openaire   +5 more sources

Modeling chemical reactions for drug design

Journal of Computer-Aided Molecular Design, 2007
Chemical 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.
openaire   +3 more sources

Mathematical modelling of chemical clock reactions

Journal of Engineering Mathematics, 1993
A 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
openaire   +2 more sources

Simplification of Mathematical Models of Chemical Reaction Systems.

Chemical Reviews, 1998
Detailed 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
semanticscholar   +1 more source

The Chemical Reaction Model Recent Developments and Prospects

2008
In 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
openaire   +5 more sources

Modeling Chemical Reactions with the Gaussian Gun

Journal of Chemical Education, 2018
In 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
openaire   +3 more sources

Mathematical Formalism of Nonequilibrium Thermodynamics for Nonlinear Chemical Reaction Systems with General Rate Law

, 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
semanticscholar   +1 more source

The Energy Release Characteristics of Shock-Induced Chemical Reaction of Al/Ni Composites

, 2016
In 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
semanticscholar   +1 more source

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