Chain computer vibration analysis

While amorphous polymers constitute a significant fraction of the polymer sector, they are much less studied by vibrational spectroscopy. It is often easier to obtain the spectra than for crystalline systems but the interpretation is much more difficult. This is because the lack of local and long range order means that the group theoretical tools that are the backbone of vibrational analysis are largely inapplicable. Computational study is also difficult because the flexible nature of the polymer chains means that there are often many conformations with similar energy. In... 

A great deal of more or less detailed computer modelling has been done to predict operational features of chemical lasers since the first studies of this type by Comeil et al. 144>, Cohen et al. m> and Airey It is beyond the scope of this review to account for all the computational approaches that have been made. One paper of this kind was reviewed in Section 7 in connection with power predictions for an H2/F2 laser oscillator. Here the comprehensive work of Igoshin and Oraevskii 109> on the kinetic processes in an HC1 laser may serve as a reference to show the relevant features. The analysis proceeds from the simultaneous solution of chemical kinetics, vibrational relaxation, and radiational processes. The chain reaction model used here is the following... 

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