کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5428624 1508685 2013 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Predicting accurate line shape parameters for CO2 transitions
موضوعات مرتبط
مهندسی و علوم پایه شیمی طیف سنجی
پیش نمایش صفحه اول مقاله
Predicting accurate line shape parameters for CO2 transitions
چکیده انگلیسی


- Development of a quantum coordinate model for the half-width and line shift.
- Calculations of γ and δ for N2-, O2-, air-, and CO2-CO2 systems for 24 bands.
- J″=0-160, bands up to Δν1=3, Δν2=5, Δν3=9, 9 temperatures from 200-2000 K.
- γ, n, δ, prediction routines for all ro-vibrational transitions up to J″=200.

The vibrational dependence of CO2 half-widths and line shifts are given by a modification of the model proposed by Gamache and Hartmann [Gamache R, Hartmann J-M. J Quant Spectrosc Radiat Transfer 2004;83:119]. This model allows the half-widths and line shifts for a ro-vibrational transition to be expressed in terms of the number of vibrational quanta exchanged in the transition raised to a power and a reference ro-vibrational transition. Calculations were made for 24 bands for lower rotational quantum numbers from 0 to 160 for N2-, O2-, air-, and self-collisions with CO2. These data were extrapolated to J″=200 to accommodate several databases. Comparison of the CRB calculations with measurement gives very high confidence in the data. In the model a Quantum Coordinate is defined by (c1 |Δν1|+c2 |Δν2|+c3|Δν3|)p. The power p is adjusted and a linear least-squares fit to the data by the model expression is made. The procedure is iterated on the correlation coefficient, R, until [|R|−1] is less than a threshold. The results demonstrate the appropriateness of the model. The model allows the determination of the slope and intercept as a function of rotational transition, broadening gas, and temperature. From the data of the fits, the half-width, line shift, and the temperature dependence of the half-width can be estimated for any ro-vibrational transition, allowing spectroscopic CO2 databases to have complete information for the line shape parameters.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 130, November 2013, Pages 158-171
نویسندگان
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