Simulation of ν2 Raman band of methane as a function of pressure

The in situ analysis of natural gas is one of the most promising applications of Raman spectroscopy. It is necessary to take into account the pressure effect on the spectrum of methane to improve the accuracy of this technique. This study aimed to develop and verify two methods for simulating the nu(2) Raman band of methane at any spectral resolution and pressure. The first method was based on the use of the spectroscopic parameters of each single line (position, intensity, broadening, and shift coefficient). The second one was based on the use of the spectral profiles, each of which replaces a group of lines. The data required for the implementation of each method are presented in this work. A comparison of the calculated and measured spectra with a resolution of similar to 0.5 and similar to 7 cm(-1) was performed. It was shown that the differences do not exceed 5% for each method in the range of 1-60 atm.

Automated summary

The study developed and verified two methods for simulating the nu(2) Raman band of methane at different spectral resolutions and pressures, showing that the differences between calculated and measured spectra did not exceed 5% for each method in the range of 1-60 atm.