TGA ( Thermogravimetry ) or DSC ( Differential scanning calorimetry ), with a fast Quadrupole Mass Spectrometer ( QMS ) the detection of gas separation and identification of the separated components are possible in exact time correlation with the other thermal analysis signals.
12.
For calculation of " k f ", the equilibrium MD with Green Kubo relations, which express the transport coefficients in terms of integrals of time correlation functions ( considering fluctuation ), or nonequilibrium MD ( prescribing heat flux or temperature difference in simulated system ) are generally employed.
