SpecTool
The Gas Phase Spectroscopic Instrument Design and Evaluation Tool
Overview
SpecTool provides a combination of an extensive gas-phase chemical absorption database and a flexible tool that facilitates detailed modelling of instrument response to selected gases. The database comprises both calculated (HITRAN line data) and high resolution laboratory measurements. Analysis features allow complete characterisation and assessment of NDIR instruments including responses to particular gases, cross sensitivity, manufacturing tolerance and many others.
User Interface
Flexible Graphical Presentation allows full Pan and Zoom, clearly identifies selected species and allows precise wavelength / wave-number identification. Multiple species can be presented simultaneously and may be presented in wave-number or wavelength format.
Mixtures
Mixtures can be easily created and manipulated in the same way as individual species.
Instrument Simulation
The instrument simulation facilities allow simple but accurate simulation of the performance of NDIR type gas analysis and also of instruments relying on spectroscopic analysis. Normally difficult analysis tasks such as cross sensitivity, linearity, sensitivity, filter wavelength dependence and many others are supported. ‘Calibration’ and comparisons support working in Lower Explosive Limit (LEL) values to allow simple evaluation of safety related instruments.
Gas Database
Compatible with the HITRAN database (copy of 2004 version supplied) and allows transmission or absorption spectrum generation of any species or mixture for user specified environmental conditions of temperature, pressure and path length. Also supplied is the PNNL database of high resolution gas phase measurement of over 400 species along with full details of physical properties and experimental measurement conditions. Most species measured at 3 separate temperatures.
HITRAN Selection
A simple user interface facilitates easy selection of any required species or combination of species. Environmental conditions are simply selected as are generation resolution, wavelength or wave-number range, gas concentration and path length.
PNNL Selection
The whole database can be searched for chemical name or partial name and also for CAS number. Key environmental details are presented for the selected species and simple selection of the selection at the required temperature and over the specified wavelength range is facilitated.



