Concvar: A computer program for simulating concentration variation of complex chemical reactions

Concentration variation of chemical substances in complex reactions is of great chemical interest, because many valuable information about reaction, such as half-life time, dependency of reaction rate on barriers, main product of competitive reactions, the order of appearance of various substances, can be directly studied by examining time-dependent concentrations. In this article, we introduce the concvar program recently developed by us, which aims at studying variation of concentrations of various chemical substances in complex reactions over reaction time by numerically solving chemical kinetics equations, only linking relationship and free energies of all minima and transition states in energy profile of the studied reaction are needed as input. Concvar is easy to use, flexible, and significant for both practical research and physical chemistry teaching. We hope concvar will provide help for chemists in better understanding chemical reactions from the perspective of concentration change. Executable files and a detailed manual of concvar can be freely downloaded at http://sobereva.com/soft/concvar.