Thermochemical stability: A comparison between experimental and predicted data

The first step to be performed during the development of a new industrial process should be the assessment of all hazards associated to the involved compounds. Particularly, the knowledge of all substances thermochemical parameters is a primary feature for such a hazard evaluation. CHETAH (CHEmical Thermodynamic And Hazard evaluation) is a prediction software suitable for calculating potential hazards of chemicals, mixtures or a single reaction that, using only the structure of the involved molecules and Benson's group contribution method, is able to calculate heats of formation, entropies, Gibbs free energies and reaction enthalpies. Because of its ability to predict the potential hazards of a material or mixture, CHETAH is part of the so-called \u201cdesktop methods\u201d for early stage chemical safety analysis. In this work, CHETAH software has been used to compile a complete risk database reporting heats of decomposition and Energy Release Potential (ERP) for 342 common use chemicals. These compounds have been gathered into classes depending on their functional groups and similarities in their thermal behavior. Calculated decomposition enthalpies for each of the compounds have also been compared with experimental data obtained with either thermoanalytic or calorimetric techniques (Differential Scanning Calorimeter \u2013 DSC \u2013 and Accelerating Rate Calorimeter \u2013 ARC)

The Logic of Internal Relations

Senior Project submitted to The Division of Social Studies of Bard College

Correlating densities of centrality and activities in cities : the cases of Bologna (IT) and Barcelona (ES)

This paper examines the relationship between street centrality and densities of commercial and service activities in cities. The aim is to verify whether a correlation exists and whether some 'secondary' activities, i.e. those scarcely specialized oriented to the general public and ordinary daily life, are more linked to street centrality than others. The metropolitan area of Barcelona (Spain) is investigated, and results are compared with those found in a previous work on the city of Bologna (Italy). Street centrality is calibrated in a multiple centrality assessment (MCA) model composed of multiple measures such as closeness, betweenness and straightness. Kernel density estimation (KDE) is used to transform data sets of centrality and activities to one scale unit for correlation analysis between them. Results indicate that retail and service activities in both Bologna and Barcelona tend to concentrate in areas with better centralities, and that secondary activities exhibit a higher correlation

The Supernova Remnant W44: confirmations and challenges for cosmic-ray acceleration

The middle-aged supernova remnant (SNR) W44 has recently attracted attention because of its relevance regarding the origin of Galactic cosmic-rays. The gamma-ray missions AGILE and Fermi have established, for the first time for a SNR, the spectral continuum below 200 MeV which can be attributed to neutral pion emission. Confirming the hadronic origin of the gamma-ray emission near 100 MeV is then of the greatest importance. Our paper is focused on a global re-assessment of all available data and models of particle acceleration in W44, with the goal of determining on a firm ground the hadronic and leptonic contributions to the overall spectrum. We also present new gamma-ray and CO NANTEN2 data on W44, and compare them with recently published AGILE and Fermi data. Our analysis strengthens previous studies and observations of the W44 complex environment and provides new information for a more detailed modeling. In particular, we determine that the average gas density of the regions emitting 100 MeV - 10 GeV gamma-rays is relatively high (n= 250 - 300 cm^-3). The hadronic interpretation of the gamma-ray spectrum of W44 is viable, and supported by strong evidence. It implies a relatively large value for the average magnetic field (B > 10^2 microG) in the SNR surroundings, sign of field amplification by shock-driven turbulence. Our new analysis establishes that the spectral index of the proton energy distribution function is p1 = 2.2 +/- 0.1 at low energies and p2 = 3.2 +/- 0.1 at high energies. We critically discuss hadronic versus leptonic-only models of emission taking into account simultaneously radio and gamma-ray data. We find that the leptonic models are disfavored by the combination of radio and gamma-ray data. Having determined the hadronic nature of the gamma-ray emission on firm ground, a number of theoretical challenges remains to be addressed.Comment: 13 pages, 11 figures, accepted by A&

Physical Electronics and Surface Physics

Contains reports on one research project.Joint Services Electronics Program (Contract DAAB07-74-C-0630