Numerical Simulation and Chemical Kinetics

We introduce this topic by quoting once again from the article by Atkins. 2 

Traditional physical chemistry deals largely with linear systems, ot at least linearises systems that are not already linear—we effectively linearise kinetic rate equations by imposing a steady state assumption. However, many real systems are nonlinear, and cannot be linearised. An obvious example is an oscillating reaction. With numerical integration techniques, linearisation becomes a thing of the past, and kinetic schemes can be explored fully and fruitfully. 

Perhaps the best way to describe what MSIMPC does is to quote the abstract that comes with the program. This abstract is part of a 34 page manual that also includes an additional six pages of sample output from the program. 

The features which enhance its utility arises partly because the authors have made the interface flexible and interactive. But another reason is that 

MSIMPC v2.0 has the capability of being an electronic reaction vessel which students explore using standard experimental approaches. To use this option, the 

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