Ignition delay times of benzene and toluene with oxygen in argon mixtures

The ignition delay times of benzene and toluene with oxygen diluted in argon were investigated over a wide range of conditions. For benzene the concentration ranges were 0.42 to 1.69 percent fuel and 3.78 to 20.3 percent oxygen. The temperature range was 1212 to 1748 K and the reflected shock pressures were 1.7 to 7.89 atm. Statistical evaluation of the benzene experiments provided an overall equation which is given. For toluene the concentration ranges were 0.5 to 1.5 percent fuel and 4.48 to 13.45 percent oxygen. The temperature range was 1339 to 1797 K and the reflected shock pressures were 1.95 to 8.85 atm. The overall ignition delay equation for toluene after a statistical evaluation is also given. Detailed experimental information is provided

Ideal gas thermodynamic properties for the phenyl, phenoxy, and o-biphenyl radicals

Ideal gas thermodynamic properties of the phenyl and o-biphenyl radicals, their deuterated analogs and the phenoxy radical were calculated to 5000 K using estimated vibrational frequencies and structures. The ideal gas thermodynamic properties of benzene, biphenyl, their deuterated analogs and phenyl were also calculated

Lender Liability under Pennsylvania Environmental Law

This article examines the potential exposure of creditors to liability under Pennsylvania environmental laws. The theory of environmental liability of creditors first made an appearance in the caselaw resulting from litigation instituted pursuant to the Comprehensive Environmental Response, Compensation and Liability Act (CERCLA), 42 U.S.C. §§ 9601-9675, enacted in 1980 by the United States Congress. CERCLA was designed to place the cost of cleaning up hazardous waste sites on those responsible for the waste. Congress, in an attempt to protect secured creditors from liability under CERCLA, included a security interest exemption. The presence of this exemption suggested that secured creditors might be liable, as owners or operators, under CERCLA for the environmental harm caused by their debtors if they became involved in their debtors\u27 business, and, in fact, a number of federal decisions have so held. Pennsylvania\u27s environmental laws contain provisions under which the theory of environmental liability of lenders may be asserted. Such Attempts have been made, resulting in several rulings by the courts and the Pennsylvania Environmental Hearing Board. This article includes an examination of the significance of those, and other, cases in connection with Pennsylvania\u27s environmental laws

Tapped Out: Threats to the Human Right to Water in the Urban United States

In the United States today, the goal of universal water service is slipping out of reach. Water costs are rising across the country, forcing many individuals to forgo running water or sanitation, or to sacrifice other essential human rights. The fixed costs of water systems have increased in recent years, driven in part by underinvestment in infrastructure. In many cities, this has been exacerbated by population shifts and the economic downturn. In this era of increasing costs and limited financial resources, water providers struggle to balance the competing priorities of modernization and universal access. This report, researched and written by students of Georgetown Law’s Human Rights Institute in the winter of 2013, details the causes, effects, and solutions to the affordability crisis affecting water in the urban United States

Active thermo chemical tables: thermochemistry for the 21st century

Active Thermochemical Tables (ATcT) are a good example of a significant breakthrough in chemical science that is directly enabled by the US DOE SciDAC initiative. ATcT is a new paradigm of how to obtain accurate, reliable, and internally consistent thermochemistry and overcome the limitations that are intrinsic to the traditional sequential approach to thermochemistry. The availability of high-quality consistent thermochemical values is critical in many areas of chemistry, including the development of realistic predictive models of complex chemical environments such as combustion or the atmosphere, or development and improvement of sophisticated high-fidelity electronic structure computational treatments. As opposed to the traditional sequential evolution of thermochemical values for the chemical species of interest, ATcT utilizes the Thermochemical Network (TN) approach. This approach explicitly exposes the maze of inherent interdependencies normally ignored by the conventional treatment, and allows, inter alia, a statistical analysis of the individual measurements that define the TN. The end result is the extraction of the best possible thermochemistry, based on optimal use of all the currently available knowledge, hence making conventional tabulations of thermochemical values obsolete. Moreover, ATcT offer a number of additional features that are neither present nor possible in the traditional approach. With ATcT, new knowledge can be painlessly propagated through all affected thermochemical values. ATcT also allows hypothesis testing and evaluation, as well as discovery of weak links in the TN. The latter provides pointers to new experimental or theoretical determinations that can most efficiently improve the underlying thermochemical body of knowledge.Active Thermochemical Tables (ATcT) are a good example of a significant breakthrough in chemical science that is directly enabled by the US DOE SciDAC initiative. ATcT is a new paradigm of how to obtain accurate, reliable, and internally consistent thermochemistry and overcome the limitations that are intrinsic to the traditional sequential approach to thermochemistry. The availability of high-quality consistent thermochemical values is critical in many areas of chemistry, including the development of realistic predictive models of complex chemical environments such as combustion or the atmosphere, or development and improvement of sophisticated high-fidelity electronic structure computational treatments. As opposed to the traditional sequential evolution of thermochemical values for the chemical species of interest, ATcT utilizes the Thermochemical Network (TN) approach. This approach explicitly exposes the maze of inherent interdependencies normally ignored by the conventional treatment, and allows, inter alia, a statistical analysis of the individual measurements that define the TN. The end result is the extraction of the best possible thermochemistry, based on optimal use of all the currently available knowledge, hence making conventional tabulations of thermochemical values obsolete. Moreover, ATcT offer a number of additional features that are neither present nor possible in the traditional approach. With ATcT, new knowledge can be painlessly propagated through all affected thermochemical values. ATcT also allows hypothesis testing and evaluation, as well as discovery of weak links in the TN. The latter provides pointers to new experimental or theoretical determinations that can most efficiently improve the underlying thermochemical body of knowledge

Third millenium ideal gas and condensed phase thermochemical database for combustion (with update from active thermochemical tables).

The thermochemical database of species involved in combustion processes is and has been available for free use for over 25 years. It was first published in print in 1984, approximately 8 years after it was first assembled, and contained 215 species at the time. This is the 7th printed edition and most likely will be the last one in print in the present format, which involves substantial manual labor. The database currently contains more than 1300 species, specifically organic molecules and radicals, but also inorganic species connected to combustion and air pollution. Since 1991 this database is freely available on the internet, at the Technion-IIT ftp server, and it is continuously expanded and corrected. The database is mirrored daily at an official mirror site, and at random at about a dozen unofficial mirror and 'finger' sites. The present edition contains numerous corrections and many recalculations of data of provisory type by the G3//B3LYP method, a high-accuracy composite ab initio calculation. About 300 species are newly calculated and are not yet published elsewhere. In anticipation of the full coupling, which is under development, the database started incorporating the available (as yet unpublished) values from Active Thermochemical Tables. The electronic version now also contains an XML file of the main database to allow transfer to other formats and ease finding specific information of interest. The database is used by scientists, educators, engineers and students at all levels, dealing primarily with combustion and air pollution, jet engines, rocket propulsion, fireworks, but also by researchers involved in upper atmosphere kinetics, astrophysics, abrasion metallurgy, etc. This introductory article contains explanations of the database and the means to use it, its sources, ways of calculation, and assessments of the accuracy of data

Numerical studies on supersonic spray combustion in high-temperature shear flows in a scramjet combustor

Numerical simulation is applied to detail the combustion characteristics of n-decane sprays in highly compressible vortices formed in a supersonic mixing layer. The multi-phase reacting flow is modeled, in which the shear flow is solved Eulerianly by means of direct numerical simulation, and the motions of individual sub-grid point-mass fuel droplets are tracked Lagrangianly. Spray combustion behaviors are studied under different ambient pressures. Results indicate that ignition kernels are formed at high-strain vortex braids, where the scalar dissipation rates are high. The flame kernels are then strongly strained, associated with the rotation of the shearing vortex, and propagate to envelop the local vortex. It is observed that the flammable mixtures entrained in the vortex are burned from the edge to the core of the vortex until the reactants are completely consumed. As the ambient pressure increases, the high-temperature region expands so that the behaviors of spray flames are strongly changed. An overall analysis of the combustion field indicates that the time-averaged temperature increases, and the fluctuating pressure decreases, resulting in a more stable spray combustion under higher pressures, primarily due to the acceleration of the chemical reaction

On the abundance of non-cometary HCN on Jupiter

Using one-dimensional thermochemical/photochemical kinetics and transport models, we examine the chemistry of nitrogen-bearing species in the Jovian troposphere in an attempt to explain the low observational upper limit for HCN. We track the dominant mechanisms for interconversion of N2-NH3 and HCN-NH3 in the deep, hightemperature troposphere and predict the rate-limiting step for the quenching of HCN at cooler tropospheric altitudes. Consistent with other investigations that were based solely on time-scale arguments, our models suggest that transport-induced quenching of thermochemically derived HCN leads to very small predicted mole fractions of hydrogen cyanide in Jupiter's upper troposphere. By the same token, photochemical production of HCN is ineffective in Jupiter's troposphere: CH4-NH3 coupling is inhibited by the physical separation of the CH4 photolysis region in the upper stratosphere from the NH3 photolysis and condensation region in the troposphere, and C2H2-NH3 coupling is inhibited by the low tropospheric abundance of C2H2. The upper limits from infrared and submillimeter observations can be used to place constraints on the production of HCN and other species from lightning and thundershock sources.Comment: 56 pages, 0 tables, 6 figures. Submitted to Faraday Discussions [in press