Combining HITRAN line-by-line, UV cross section and PNNL databases for Modeling of LIBS and Raman LIDAR Denis Plutov, Dennis K. Killinger Laboratory for Laser Remote Sensing Department of Physics University of South Florida Tampa, FL

Outline Improved Hitran-PC (4.0) Combined spectra HITRAN Line-by-line UV Cross Sections (HITRAN) PNNL (Pacific Northwest National Lab) IR Database Spectra for modeling LIBS and Raman LIDAR Summary

New capabilities of Hitran-PC 4.0 HITRAN 2004 database usage Addition of aerosols (BACKSCAT 4.0 model) Addition of HITRAN cross sections into calculations Introduction of PNNL IR database into calculations Ability to carry out calculations for individual isotopes New operational features

Hitran-PC line-by-line calculation overview

Additional spectral features

Hitran-PC Interface Overview New “Info Panel”

5 Tabs of the “Info Panel” Calculation parameters HITRAN line-by-line PNNL IR HITRAN Cross Sections Manual input spectra

Displayed spectrum: Zoom-in / Zoom-out Magnification of a selected region – Spectra stored in RAM after the calculation Ability to zoom out

Slant Path Layer Editor Geometry of the slant path Slant path layer list

Slant path calculation

Adding PNNL and UV cross sections to HITRAN line-by-line (Path 1000 m) NO2 (Cross sections) Trimethylamine (PNNL) Ozone (Cross sections) 0.245 4.00 Wavelength, micrometers Combined line-by-line, PNNL IR and Cross Sectional spectra obtained with the Hitran-PC (4.0) program. (Path: 1000 m. Total pressure: 1 Atm.) Cross sections: NO2 (2.13∙10-2 ppm) , NO3 (5∙10-5) ppm, O3 (0.15 ppm). PNNL: Trimethylamine (0.5 ppm).

Example: comparison of HITRAN line-by-line, cross sectional and PNNL spectra: SF6 100 HITRAN line-by-line Cross section PNNL IR Path length: 1000 m Temperature: 296 K SF6, 1∙10-7 Atm partial pressure 925.00 955.00 Wavenumber, cm-1 HITRAN Line-by-line spectrum of SF6 (No hot bands) HITRAN Cross sectional spectrum of SF6 PNNL IR spectrum of SF6

Example: comparison of HITRAN line-by-line and PNNL spectra: CH4 4.54 Obtained with Hitran-PC 4.0 for 296K and 1000m path Methane (CH4), 5∙10-7 Atm partial pressure PNNL IR 2.3 2.35 Wavelength, micrometers HITRAN line-by-line HITRAN line-by-line spectrum of Methane (CH4) PNNL IR database spectrum of Methane (CH4)

Initial Use of HITRAN / PNNL / Cross_Sections for LIBS / Raman Lidar Calculations

Combined transmission spectrum of the atmosphere in the UV-VIS region obtained with Hitran-PC 4.0 100 0.245 0.8 Wavelength, micrometers Transmission spectrum of the atmosphere generated with Hitran-PC (4.0) for a (1000 m path and a total pressure of 1 Atm.) Line-by-line (ppmv): H2O (7.75∙103), O2 (2.66∙10-2). Cross sections (ppmv): NO2 (2.13∙10-2), NO3 (5∙10-5), O3 (0.15).

Combining the atmospheric transmission spectrum with the LIDAR equation

Calculated Raman Lidar S/N versus range for Naphtalene spectrum Pt = 25 MW (10-10 Raman efficiency), telescope area A = 0.01 m2

Summary Added PNNL and Cross-section to line-by-line Initial application to LIBS and Raman LIDAR spectral signatures Future: LIBS and Raman LIDAR and spectral component analysis vs. Range