512 resultados para electrochemical calculation
Electrochemical behavior of the self-assembled membrane formed by calmodulin (CaM) on a Au Substrate
Resumo:
We have calculated the Hugoniot properties of shocked nitromethane based on the improved Tsien's equation of state (EOS) that optimized by "exact" numerical molecular dynamic data at high temperatures and pressures. Comparison of the calculated results of the improved Tsien's EOS with the existed experimental data and the direct simulations show that the behavior of the improved Tsien's EOS is very good in many aspects. Because of its simple analytical form, the improved Tsien's EOS can be prospectively used to study the condensed explosive detonation coupling with chemical reaction.