We use a Toy Model of chemistry that represents molecules in terms of usual structural formulae to generate large chemical reaction networks. An extremely simplified quantum mechanical energy calculation and a straightforward implementation of reactions as graph rewritings ensure both transparency and closeness to chemical reality, both conditions that are necessary for the analysis of generic ...

in the present study the adiabatic temperature of gaseous fuels were calculated and the influence of effective parameters of flame temperature was discussed. firstly, a new computational program named ftc (flame temperature calculations) was prepared to calculate the adiabatic flame temperature and then the effect of initial temperatures of combustion air and fuel, excess air content and oxygen...

We consider application of neural associative memories to chemical image recognition. Chemical image recognition is identification of substance using chemical sensors' data. The primary advantage of associative memories as compared with feed-forward neural networks is highspeed learning. We have made experiments on odour recognition using hetero-associative and modular autoassociative memories....

this article deals with the issues associated with developing a new design methodology for the nonlinear model-predictive control (mpc) of a chemical plant. a combination of multiple neural networks is selected and used to model a nonlinear multi-input multi-output (mimo) process with time delays.  an optimization procedure for a neural mpc algorithm based on this model is then developed. the p...

The arrangement of molecules in molecular networks determines their physical and chemical properties. Addressing this fundamental issue requires proper structural characterization tools. Due to an overlap, interdigitation, tilting or stacking of molecules revealing the structure of the networks is challenging. Tebi et al (2015 Nanotechnology 27 025704) developed a clever approach that enables a...

Many intermolecular chemical interactions persist across length and timescales and can be considered to form a "network" or "graph." Obvious examples include the hydrogen bond networks formed by polar solvents such as water or alcohols. In fact, there are many similarities between intermolecular chemical networks like those formed by hydrogen bonding and the complex and distributed networks fou...

The dynamics of chemical reaction networks often takes place on widely differing time scales--from the order of nanoseconds to the order of several days. This is particularly true for gene regulatory networks, which are modeled by chemical kinetics. Multiple time scales in mathematical models often lead to serious computational difficulties, such as numerical stiffness in the case of differenti...

Networks of chemical reactions have been given much attention recently. However, dynamical aspects of such networks remain to be elucidated. In this paper, we study a cascade chemical reaction, consisting of a series of downstream-coupled Brusselators. Along the cascade of reaction, small fluctuations naturally existing in the concentration of chemical species are amplified. Such amplification ...

– The large-scale organization of complex networks, both natural and artificial, has shown the existence of highly heterogeneous patterns of organization. Such patterns typically involve scale-free degree distributions and small world, modular architectures. One example is provided by chemical reaction networks, such as the metabolic pathways. The chemical reactions of the Earth’s atmosphere ha...

Effect of chamber pressure on liquid drop impacts on a stationary smooth and dry surface. ii ACKNOWLEDGEMENTS I would like to thank the Graduate College, University of Iowa, for giving me this chance to pursue a Master's degree at this university. Many thanks are due also to Prof. whose constant guidance, support and encouragement were extremely important for the successful completion of this w...