Summaries of FY 1997 Research in the Chemical Sciences

The objective of this program is to expand, through support of basic research, knowledge of various areas of chemistry, physics and chemical engineering with a goal of contributing to new or improved processes for developing and using domestic energy resources in an efficient and environmentally sound manner. Each team of the Division of Chemical Sciences, Fundamental Interactions and Molecular Processes, is divided into programs that cover the various disciplines. Disciplinary areas where research is supported include atomic, molecular, and optical physics; physical, inorganic, and organic chemistry; chemical energy, chemical physics; photochemistry; radiation chemistry; analytical chemistry; separations science; heavy element chemistry; chemical engineering sciences; and advanced battery research. However, traditional disciplinary boundaries should not be considered barriers, and multi-disciplinary efforts are encouraged. In addition, the program supports several major scientific user facilities. The following summaries describe the programs

Zeolites and ordered porous solids: fundamentals and applications

Pérez Pariente, J.; Martínez Sánchez, MC. (2011). Zeolites and ordered porous solids: fundamentals and applications. Editorial Universitat Politècnica de València. http://hdl.handle.net/10251/11205Archivo delegad

2009 Annual Progress Report: DOE Hydrogen Program

This report summarizes the hydrogen and fuel cell R&D activities and accomplishments of the DOE Hydrogen Program for FY2009. It covers the program areas of hydrogen production and delivery; fuel cells; manufacturing; technology validation; safety, codes and standards; education; and systems analysis

An experimental and modelling investigation on the water content of CO2-rich mixtures

As global warming concerns grow, a worldwide appeal for immediate action to reduce greenhouse gas (GHG) emissions unfold. Many factor such as the emission gap between nations, reliance on petrochemicals in all industrial sectors, and the difficulty in estimating the carbon footprint in complex and highly specialised production chains, delay the implementation of practical solutions. In this context, carbon capture, storage and utilisation (CCSU) emerges as the most readily available option for reducing CO2 emission while promoting a smooth and efficient transition into alternative energy sources. However, transporting and processing carbon dioxide and CO2-rich mixtures represent a challenging task for many industrial processes. The unavoidable presence of water and the necessity of handling such mixtures over various operational conditions raises concerns about hydrate formation and corrosion suppression. This study presents an experimental and modelling investigation for improving field monitoring and model predictions for water content in CO2- rich mixtures. Measurements are performed using a Tunable Diode Laser Spectroscopy (TDLAS) and a calibration-free fluid-independent new methodology named Differential Scanning Hygrometry (DSH). This novel analytical approach has been successfully tested for measuring dew/frost temperatures for carbon dioxide, methane, nitrogen, CO2-rich mixtures and natural-gas-like synthetic mixtures in equilibrium with hydrates, free water and ice. In addition, a procedure for dew/frost temperature conversions to mole concentration is also discussed. Further investigations on vapour-liquid CO2/methane and hydrate dissociation for CO2/propane binary systems are also conducted showing good agreement with recent publications. Finally, the study has also evaluated the capabilities and limitations of six well-established EoS for modelling natural gas and CCSU fluids. This evaluation has included the advanced and asymmetric mixing rules (Huron-Vidal, Orbey-Wong-Sandler and Non-density dependent) coupled with Soave-Redlich-Kwong and Peng-Robinson EoS, cubic-plus association SAFT hybridisation (CPA) approach and the multiparametric GERG model (a modified EoS-CG version). A detailed fitting process included tuning saturation pressure for single components, VLE for methane/carbon dioxide, hydrate dissociation, and mutual solubility in binary systems involving water. Once adjusted, the capabilities of these adjusted models in describing multicomponent mixtures has been assessed. Overall, sCPA and a proposed predictive SRK combined with Huron-Vidal mixing rules for water-involving binary systems displayed good results with average deviations slightly below 11%

Heterogeneous Catalysis

A heterogeneous catalyst is a functional material that continually creates active sites with its reactants under reaction conditions. These sites change the rates of chemical reactions of the reactants localized on them without changing the thermodynamic equilibrium between the materials

Biological and chemical technologies research. FY 1995 annual summary report

The annual summary report presents the fiscal year (FY) 1995 research activities and accomplishments for the United States Department of Energy (DOE) Biological and Chemical Technologies Research (BCTR) Program. This BCTR program resides within the Office of Industrial Technologies (OIT) of the Office of Energy Efficiency and Renewable Energy (EE). The annual summary report for 1995 (ASR 95) contains the following: program description (including BCTR program mission statement, historical background, relevance, goals and objectives); program structure and organization, selected technical and programmatic highlights for 1995; detailed descriptions of individual projects; a listing of program output, including a bibliography of published work; patents; and awards arising from work supported by the BCTR

Investigation into the Hydrothermal Treatment of Sugarcane Bagasse under Near- and Supercritical Conditions

Processing biomass in near- and supercritical water has garnered increasing attention because of its ability to accept a variety of wet feedstocks, energy efficiency, and ability to regulate the solubility and separation of components. Very few studies of biomass hydrothermal conversion provide a comprehensive evaluation of multiple process parameters and various additives and their effects on a single product phase. This research examined the influence of temperature, residence time, biomass concentration, and particle size on volatiles production from the hydrothermal conversion of sugarcane bagasse. Temperature had the greatest impact on volatile yields with the largest increase (23 wt %) occurring between 400 and 500 °C. The hydrogen mass yield increased 1000% between 300 and 600 °C. Increasing the residence time from 1 to 60 min resulted in a 49% increase in the mass yield of volatiles and 12.1% increase in the overall conversion of bagasse. The heating value of the volatile products declined after 10 min. Thermal cracking reactions dominated the early gas phase chemistry through 10 min but may have been accompanied by oxygenolysis of intermediate compounds at extended reaction intervals. In general, the use of Li/MgO and MnO2 catalysts improved the hydrothermal conversion of bagasse by 10%. An increased selectivity toward propylene production by both catalysts suggests metal oxide catalysts may promote partial oxidation via hydroxyl radicals. A side by side comparison of runs conducted in a Hastelloy X bomb and a titanium bomb revealed possible wall effects. The titanium bomb run produced 13 times more CO than the Hastelloy X bomb run along with at least 60 ppm of H2S. Lower hydrocarbon yields from the former run also support the theory that Ti is more catalytically active than Fe, Ni, and Cr in hydrothermal media. Chromatographic analysis revealed that methane in the volatile product generated from an experiment conducted using D2O instead of H2O had been perdeuterated, implying that hydrogen from the water medium is a labile participant in hydrothermal reactions. The Arrhenius parameters for bagasse hydrothermal conversion at 500 °C were determined as shown: Ea = 101.4 kJ•mol-1 and A = 1.28 × 109 min-1

Energy: A continuing bibliography with indexes

This bibliography lists 1428 reports, articles, and other documents introduced into the NASA scientific and technical information system from January 1, 1980 through March 31, 1980