Solving complex chemical equation root based on improved evolution strategy

Guo De-long, Nan Yang, Zhou Yong-quan · 2011

In chemistry, such complicated questions about equation roots that need to be solved by using the approximate method (including nonlinear equation, transcendental equation and so on) are frequently confronted. There are some traditional methods such as graphic method and Newton iteration method and so on, but they cannot solve all problems, because in working out some complicated chemical equations' roots, traditional methods have some shortcomings such as being easily affected by initial value and not being able to get a high precision. Therefore, as a more advanced method, the improved evolution strategy can be applied to solve the problems of complicated chemical equations' roots by transforming them into the function optimization ones, making full use of such characteristics of the evolution strategy as being self-adaptive and robust to gradually approach the optimal solution through optimized selection, recombination, and mutation, and at the same time, to manifest the parallel algorithm characteristics. Finally, through simulating examples, this paper proves that this new method has such merits as being quick to restrain and being able to realize a higher precision.

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