Quantitative analysis of remote gas temperatures and concentrations from their infrared emission spectra

Techniques for obtaining quantitative values of the temperatures and concentrations of remote hot gaseous effluents from their measured passive emission spectra have been examined in laboratory experiments and on field trials. These emission spectra were obtained using an adapted FTIR spectrometer with 0.25 cm-1 spectral resolution. The CO2 and H2O vapour content in the plume from a 55 m smoke stack and the temperature of these gases were obtained by comparing the measured emission spectra with those modelled using the HITRAN atmospheric transmission database. The spatial distributions of CO2, CO and unburnt CH4 in a laboratory methane flame were reconstructed tomographically using a matrix inversion technique.

Remote gas detection and quantitative analysis from infrared emission spectra obtained by Fourier transform infrared spectroscopy

Techniques for obtaining quantitative values of the temperatures and concentrations of remote hot gaseous effluents from their measured passive emission spectra have been examined in laboratory experiments. The high sensitivity of the spectrometer in the vicinity of the 2397 cm-1 band head region of CO2 has allowed the gas temperature to be calculated from the relative intensity of the observed rotational lines. The spatial distribution of the CO2 in a methane flame has been reconstructed tomographically using a matrix inversion technique. The spectrometer has been calibrated against a black body source at different temperatures and a self absorption correction has been applied to the data avoiding the need to measure the transmission directly. Reconstruction artifacts have been reduced by applying a smoothing routine to the inversion matrix.

Analysis of incoherent scatter spectra from non-Maxwellian plasma

Incoherent scatter data from non-thermal F-region ionospheric plasma are analysed, using theoretical spectra predicted by Raman et al. It is found that values of the semi-empirical drift parameter D∗, associated with deviations of the ion velocity distribution from a Maxwellian, and the plasma temperatures can be rigorously deduced (the results being independent of the path of iteration) if the angle between the line-of-sight and the geomagnetic field is larger than about 15–20 degrees. For small aspect angles, the deduced value of the average (or 3-D) ion temperature remains ambiguous and the analysis is restricted to the determination of the line-of-sight temperature because the theoretical spectrum is insensitive to non-thermal effects when the plasma is viewed along directions almost parallel to the magnetic field. This limitation is expected to apply to any realistic model of the ion velocity distribution, and its consequences are discussed. Fit strategies which allow for mixed ion composition are also considered. Examples of fits to data from various EISCAT observing programmes are presented.

Application of abrupt cut-off models in the analysis of the capacitance spectra of conjugated polymer devices

In this paper, a detailed study of the capacitance spectra obtained from Au/doped-polyaniline/Al structures in the frequency domain (0.05 Hz-10 MHz), and at different temperatures (150-340 K) is carried out. The capacitance spectra behavior in semiconductors can be appropriately described by using abrupt cut-off models, since they assume that the electronic gap states that can follow the ac modulation have response times varying rapidly with a certain abscissa, which is dependent on both temperature and frequency. Two models based on the abrupt cut-off concept, formerly developed to describe inorganic semiconductor devices, have been used to analyze the capacitance spectra of devices based on doped polyaniline (PANI), which is a well-known polymeric semiconductor with innumerous potential technological applications. The application of these models allowed the determination of significant parameters, such as Debye length (approximate to 20 nm), position of bulk Fermi level (approximate to 320 meV) and associated density of states (approximate to 2x10(18) eV(-1) cm(-3)), width of the space charge region (approximate to 70 nm), built-in potential (approximate to 780 meV), and the gap states` distribution.

Application of abrupt cut-off models in the analysis of the capacitance spectra of conjugated polymer devices

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Prediction of cassava starch edible film properties by chemometric analysis of infrared spectra

Cassava starch has been shown to make transparent and colorless flexible films without any previous chemical treatment. The functional properties of edible films are influenced by starch properties, including chain conformation, molecular bonding, crystallinity, and water content. Fourier-transform infrared (FTIR) spectroscopy in combination with attenuated total reflectance (ATR) has been applied for the elucidation of the structure and conformation of carbohydrates. This technique associated with chemometric data processing could indicate the relationship between the structural parameters and the functional properties of cassava starch-based edible films. Successful prediction of the functional properties values of the starch-based films was achieved by partial least squares regression data. The results showed that presence of the hydroxyl group on carbon 6 of the cyclic part of glucose is directly correlated with the functional properties of cassava starch films.

Thermal Analysis and Raman Spectra of Different Phases of the Ionic Liquid Butyltrimethylammonium Bis(trifluoromethylsulfonyl)imide

The ionic liquid butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [C4C1C1C1N][Tf2N], is a glass-forming liquid that exhibits partial crystallization depending on the cooling rate. Differential scanning calorimetry (DSC) indicates crystallization at T-c = 227 K, melting at T-m = 258 K, glass transition at T-g similar to 191 K, and also cold crystallization at T-cc similar to 219 K. Raman spectroscopy shows that the crystalline structure obtained by slow cooling is formed with [Tf2N](-) in cisoid conformation, whereas [Tf2N](-) in transoid conformation results from fast cooling. No preferred conformation of the butyl chain of the [C4C1C1C1N](+) cation is favored by slow or fast cooling of [C4C1C1C1N][Tf2N]. Low-frequency Raman spectroscopy shows that crystalline domains developing in the supercooled liquid result in a glacial state made of a mixture of crystallites and amorphous phase. However, these crystalline structures obtained by slow cooling or cold crystallization are not the same because anion-cation interactions promote local structures with distinct conformations of the [Tf2N](-) anion.

Pre-edge analysis of X-rays absorption spectra in TiO2 modified films

The thesis is mainly focused on the pre-edge analysis of XAS spectra of Ti HCF sample hexacyanocobaltate and hexacyanoferrate samples doped on a Indium Tin Oxide (ITO) thin film. The work is aimed at the determination of Ti oxidation state, as well as indication of various coordination number in the studied samples. The experiment have been conducted using XAFS (X-ray absorption fine structure)beamline at Elettra synchrotron, Trieste (Italy) under supervision of Professor Marco Giorgetti, Department of Industrial Chemistry, University of Bologna. The Master thesis accreditation to fullfill the ASC Master of Advanced Spectroscopy in Chemistry Degree requirement.

Data analysis and simulations of VIRTIS venus spectra

VIRTIS, a bordo di Venus Express, è uno spettrometro in grado di operare da 0.25 a 5 µm. Nel periodo 2006-2011 ha ricavato un'enorme mole di dati ma a tutt'oggi le osservazioni al lembo sono poco utilizzate per lo studio delle nubi e delle hazes, specialmente di notte. Gli spettri al lembo a quote mesosferiche sono dominati dalla radianza proveniente dalle nubi e scatterata in direzione dello strumento dalle hazes. L'interpretazione degli spettri al lembo non può quindi prescindere dalla caratterizzazione dell'intera colonna atmosferica. L'obiettivo della tesi è di effettuare un’analisi statistica sulle osservazioni al nadir e proporre una metodologia per ricavare una caratterizzazione delle hazes combinando osservazioni al nadir e al lembo. La caratterizzazione delle nubi è avvenuta su un campione di oltre 3700 osservazioni al nadir. È stato creato un ampio dataset di spettri sintetici modificando, in un modello iniziale, vari parametri di nube quali composizione chimica, numero e dimensione delle particelle. Un processo di fit è stato applicato alle osservazioni per stabilire quale modello potesse descrivere gli spettri osservati. Si è poi effettuata una analisi statistica sui risultati del campione. Si è ricavata una concentrazione di acido solforico molto elevata nelle nubi basse, pari al 96% in massa, che si discosta dal valore generalmente utilizzato del 75%. Si sono poi integrati i risultati al nadir con uno studio mirato su poche osservazioni al lembo, selezionate in modo da intercettare nel punto di tangenza la colonna atmosferica osservata al nadir, per ricavare informazioni sulle hazes. I risultati di un modello Monte Carlo indicano che il numero e le dimensioni delle particelle previste dal modello base devono essere ridotte in maniera significativa. In particolare si osserva un abbassamento della quota massima delle hazes rispetto ad osservazioni diurne.

Analysis of Different Uncertainty Activation Cross Section Data Libraries for LWR, ads and demo Neutron Spectra

This work is aimed to present the main differences of nuclear data uncertainties among three different nuclear data libraries: EAF-2007, EAF-2010 and SCALE-6.0, under different neutron spectra: LWR, ADS and DEMO (fusion)

Analysis of different uncertainty activation cross section data libraries for LWR, ADS and DEMO neutron spectra

This work is aimed to present the main differences of nuclear data uncertainties among three different nuclear data libraries: EAF-2007, EAF-2010 and SCALE-6.0, under different neutron spectra: LWR, ADS and DEMO (fusion). To take into account the neutron spectrum, the uncertainty data are collapsed to onegroup. That is a simple way to see the differences among libraries for one application. Also, the neutron spectrum effect on different applications can be observed. These comparisons are presented only for (n,fission), (n,gamma) and (n,p) reactions, for the main transuranic isotopes (234,235,236,238U, 237Np, 238,239,240,241Pu, 241,242m,243Am, 242,243,244,245,246,247,248Cm, 249Bk, 249,250,251,252Cf). But also general comparisons among libraries are presented taking into account all included isotopes. In other works, target accuracies are presented for nuclear data uncertainties; here, these targets are compared with uncertainties on the above libraries. The main results of these comparisons are that EAF-2010 has reduced their uncertainties for many isotopes from EAF-2007 for (n,gamma) and (n,fission) but not for (n,p); SCALE-6.0 gives lower uncertainties for (n,fission) reactions for ADS and PWR applications, but gives higher uncertainties for (n,p) reactions in all applications. For the (n,gamma) reaction, the amount of isotopes which have higher uncertainties is quite similar to the amount of isotopes which have lower uncertainties when SCALE-6.0 and EAF-2010 are compared. When the effect of neutron spectra is analysed, the ADS neutron spectrum obtained the highest uncertainties for (n,gamma) and (n,fission) reactions of all libraries.