An approach to the spectral simulation of infrared hollow waveguide gas sensors.

Optical simulations enable to model an entire chemical gas sensing platform based on hollow waveguides (HWGs) operating in the mid-infrared spectral regime using a three-dimensional representation of the sensor components and taking the spectral response to virtual analytes into account. Furthermore, a strategy for including the spectral response of dielectrically coated HWGs is demonstrated. Utilizing experimentally obtained spectroscopic data recorded at well-defined conditions, the complex refractive indices of selected target analytes (i.e., methane, butane, and isobutylene) have been derived based on a refined harmonic oscillator model. In turn, these parameters have enabled to directly assign the dielectric functions of these analytes to virtual objects representing the analyte within the modeled sensor setup. In a next step, spectroscopic sensor response functions have been simulated as absorbance spectra across selected wavelength regimes utilizing spectrally resolved ray-tracing techniques and have been compared to experimental data.