The objective of this report is to evaluate the low quality natural gas (LQNG) resource base, current utilization of LQNG, and environmental issues relative to its use, to review processes for upgrading LQNG to pipeline quality, and to make recommendations of research needs to improve the potential for LQNG utilization. LQNG is gas from any reservoir which contains amounts of nonhydrocarbon gases sufficient to lower the heating value or other properties of the gas below commercial, pipeline standards. For the purposes of this study, LQNG is defined as natural gas that contains more than 2% carbon dioxide, more than 4% nitrogen, or more than 4% combined CO{sub 2} plus N{sub 2}. The other contaminant of concern is hydrogen sulfide. A minor contaminant in some natural gases is helium, but this inert gas usually presents no problems.

Syngas is known to contain approximately 1 percent H[sub 2]S, along with CO[sub 2], C0[sub 2], H[sub 2] and CH[sub 4]. Similarly, the syngas may become contaminated with oxygen, particularly during reactor start-up and during maintenance. Previous studies with the water-gas shift bacterium Rhodospirillum rubrum have shown that the bacterium is tolerant of small quantities of oxygen, but the effects of oxygen on CO-consumption are unknown. Similarly, R. rubrum is known to be tolerant of H[sub 2]S, with high concentrations of H[sub 2]S negatively affecting CO-uptake. Batch experiments were thus carried out to determine the effects of H[sub 2]S and O[sub 2] on CO-uptake by R. rubrum. The results of these experiments were quantified by using Monod equations modified by adding terms for CO, H[sub 2]S and O[sub 2] inhibition. The techniques used in determining kinetic expressions previously shown for other gas-phase substrate bacterial systems including R. rubrum were utilized.

Syngas is known to contain approximately 1 percent H{sub 2}S, along with CO{sub 2}, C0{sub 2}, H{sub 2} and CH{sub 4}. Similarly, the syngas may become contaminated with oxygen, particularly during reactor start-up and during maintenance. Previous studies with the water-gas shift bacterium Rhodospirillum rubrum have shown that the bacterium is tolerant of small quantities of oxygen, but the effects of oxygen on CO-consumption are unknown. Similarly, R. rubrum is known to be tolerant of H{sub 2}S, with high concentrations of H{sub 2}S negatively affecting CO-uptake. Batch experiments were thus carried out to determine the effects of H{sub 2}S and O{sub 2} on CO-uptake by R. rubrum. The results of these experiments were quantified by using Monod equations modified by adding terms for CO, H{sub 2}S and O{sub 2} inhibition. The techniques used in determining kinetic expressions previously shown for other gas-phase substrate bacterial systems including R. rubrum were utilized.

The Nuclear Regulatory Commission requires utilities to determine the response of a pressurized water reactor to a steam generator tube rupture (SGTR) as part of the safety analysis for the plant. The SGTR analysis includes assumptions regarding the iodine concentration in the reactor coolant system (RCS) due to iodine spikes, primary flashing and bypass fractions, and iodine partitioning in the secondary coolant system (SCS). Experimental and analytical investigations have recently been completed wherein these assumptions were tested to determine whether and to what degree they were conservative (that is, whether they result in a calculated iodine source term/dose that is at least as large or larger than that expected during an actual event). The current study has the objective to assess the overall effects of the results of these investigations on the calculated iodine dose to the environment during an SGTR. To assist in this study, a computer program, DOSE, was written. This program uses a simple, non-mechanistic model to calculate the iodine source term to the environment during an SGTR as a function of water mass inventories and flow rates and iodine concentrations in the RCS and SCS. The principal conclusion of this study is that the iodine concentration …

The Nuclear Regulatory Commission requires utilities to determine the response of a pressurized water reactor to a steam generator tube rupture (SGTR) as part of the safety analysis for the plant. The SGTR analysis includes assumptions regarding the iodine concentration in the reactor coolant system (RCS) due to iodine spikes, primary flashing and bypass fractions, and iodine partitioning in the secondary coolant system (SCS). Experimental and analytical investigations have recently been completed wherein these assumptions were tested to determine whether and to what degree they were conservative (that is, whether they result in a calculated iodine source term/dose that is at least as large or larger than that expected during an actual event). The current study has the objective to assess the overall effects of the results of these investigations on the calculated iodine dose to the environment during an SGTR. To assist in this study, a computer program, DOSE, was written. This program uses a simple, non-mechanistic model to calculate the iodine source term to the environment during an SGTR as a function of water mass inventories and flow rates and iodine concentrations in the RCS and SCS. The principal conclusion of this study is that the iodine concentration …

The paper reports results on the following five studies: (1) The activation of tertiary amines by osmium cluster complexes; (2) Nucleophilic ring opening of thietane ligand in metal carbonyl cluster complexes; (3) Ring opening of a nitrogen containing strained ring heterocycle by an osmium cluster complex; (4) Insertion of an alkynes into a metal-metal bond -- evidence for an intramolecular insertion with a trans-stereochemistry; and (5) Cyclobutyne -- the ligand. Plans for future research are also briefly discussed. Two studies are planned: (1) studies of the synthesis and reactivity of strained ring ligands in metal cluster compounds; and (2) studies of the reactivity of dimetallic complexes with alkynes.

This paper highlights a new technique for extremely high rate deposition of optical dielectric films (vacuum deposition of polymer multilayer thin films). This is a way to produce multilayer optical filters comprised of thousands of layers of either linear or nonlinear optical materials. The technique involves the flash evaporation of an acrylic monomer onto a moving substrate; the monomer is then cured. Acrylic polymers deposited to date are very clear for wavelengths between 0.35 and 2.5 [mu]m; they have extinction coefficients of k[approx]10[sup [minus]7]. Application of electric field during cross linking can polarize (''pole'') the film to greatly enhance the nonlinear optical properties. ''Poling'' films with the polymer multilayer technique offers advantages over conventional approaches, in that the polarization should not decay over time. Battelle's Pacific Northwest Laboratory is well suited for bringing linear and nonlinear polymer multilayer optical filter technology to manufacturing production status for batch and wide area web applications. 10 figs.

The Southern California Edison Company (SCE) has conducted an extensive metering project in which electricity end use in 53 commercial buildings in Southern California has been measured. The building types monitored include offices, retail stores, groceries, restaurants, and warehouses. One year (June 1989 through May 1990) of the SCE measured hourly end-use data are reviewed in this report. Annual whole-building and end-use energy use intensities (EUIs) and monthly load shapes (LSs) have been calculated for the different building types based on the monitored data. This report compares the monitored buildings' EUIs and LSs to EUIs and LSs determined using whole-building load data and the End-Use Disaggregation Algorithm (EDA). Two sets of EDA determined EUIs and LSs are compared to the monitored data values. The data sets represent: (1) average buildings in the SCE service territory and (2) specific buildings that were monitored.

The Southern California Edison Company (SCE) has conducted an extensive metering project in which electricity end use in 53 commercial buildings in Southern California has been measured. The building types monitored include offices, retail stores, groceries, restaurants, and warehouses. One year (June 1989 through May 1990) of the SCE measured hourly end-use data are reviewed in this report. Annual whole-building and end-use energy use intensities (EUIs) and monthly load shapes (LSs) have been calculated for the different building types based on the monitored data. This report compares the monitored buildings` EUIs and LSs to EUIs and LSs determined using whole-building load data and the End-Use Disaggregation Algorithm (EDA). Two sets of EDA determined EUIs and LSs are compared to the monitored data values. The data sets represent: (1) average buildings in the SCE service territory and (2) specific buildings that were monitored.

This study is aimed at characterizing the influence of aerosol surface structure on the kinetics of gas-aerosol interactions. Changes in gas phase chemical reaction rates as a function of exposure to a specific aerosol are measured with aerosols having different surface properties due to the composition and/or temperature of the material making up the aerosol. The kinetic data generated can be used directly in atmospheric modeling calculations. The surface structure of the aerosol is using morphology-dependent enhancement of simulated Raman scattering (MDSRS). Detailed dynamics of gas-aerosol interactions can be obtained by correlating the change in the reaction rate with change in surface structure and by monitoring the change in aerosol surface structure during, the course of the reaction. This dynamics information can be used to generate kinetic data for systems which are similar in nature to those studied, but are not amenable to laboratory investigation. We show here that increased MDSRS sensitivity is achieved by using an excitation laser source that has a narrow linewidth and we have been able to detect sulfate anion concentrations much lower than previously reported. We have shown that the linewidth of the MDSRS mode excited in a droplet is limited by the laser linewidth. …

This study is aimed at characterizing the influence of aerosol surface structure on the kinetics of gas-aerosol interactions. Changes in gas phase chemical reaction rates as a function of exposure to a specific aerosol are measured with aerosols having different surface properties due to the composition and/or temperature of the material making up the aerosol. The kinetic data generated can be used directly in atmospheric modeling calculations. The surface structure of the aerosol is using morphology-dependent enhancement of simulated Raman scattering (MDSRS). Detailed dynamics of gas-aerosol interactions can be obtained by correlating the change in the reaction rate with change in surface structure and by monitoring the change in aerosol surface structure during, the course of the reaction. This dynamics information can be used to generate kinetic data for systems which are similar in nature to those studied, but are not amenable to laboratory investigation. We show here that increased MDSRS sensitivity is achieved by using an excitation laser source that has a narrow linewidth and we have been able to detect sulfate anion concentrations much lower than previously reported. We have shown that the linewidth of the MDSRS mode excited in a droplet is limited by the laser linewidth. …

Objective was to determine the single-particle electronic structure of selected narrow band materials in order to understand the relation between their electronic structures and novel low energy properties, such as mixed valence, heavy Fermions, Kondo effect, insulator-metal transitions, non-Fermi liquid behavior, and high-temperature superconductivity. This program supports photoemission spectroscopy (PES) at various synchrotrons. The progress is reported under the following section titles: ZSA (Zaanen-Sawatzky-Allen) systematics and I-M transitions in 3d transition metal oxides, insulator-metal transitions in superconducting cuprates, Fermi liquid and non-Fermi liquid behavior in angular resolved PES lineshapes, heavy-Fermion and non-Fermi liquid 5f electron systems, and Kondo insulators.

Research was concentrated on two-phase Ti-TiCr{sub 2} alloys, two- phase Fe-ZrFe{sub 2} alloys, and two-phase ternary Ni-Cu-Mg alloys containing MgNi{sub 2} and MgCu{sub 2} phases. Work demonstrated that a variety of room-temperature deformation processes are possible in Laves phases. A strain-induced phase transformation from C36{r_arrow}C15 structures is one mechanism for plastic deformation in ZrFe{sub 2}. The C15 structure in TiCr{sub 2} deforms by slip and twinning. The microstructure after indentation of specimens containing C36 phases ZrFe{sub 2} and MgNi{sub 2} indicates that a variety of slip systems operate in this form. 8 figs.

Research was concentrated on two-phase Ti-TiCr[sub 2] alloys, two- phase Fe-ZrFe[sub 2] alloys, and two-phase ternary Ni-Cu-Mg alloys containing MgNi[sub 2] and MgCu[sub 2] phases. Work demonstrated that a variety of room-temperature deformation processes are possible in Laves phases. A strain-induced phase transformation from C36[r arrow]C15 structures is one mechanism for plastic deformation in ZrFe[sub 2]. The C15 structure in TiCr[sub 2] deforms by slip and twinning. The microstructure after indentation of specimens containing C36 phases ZrFe[sub 2] and MgNi[sub 2] indicates that a variety of slip systems operate in this form. 8 figs.

None

This progress report details work done on a program in nonlinear dynamical aspects of plasma turbulence and transport funded by DOE since 1989. This program has been in cooperation with laboratories in theUSSR [now Russia and the Confederation of Independent States (CIS)]. The purpose of this program has been: To promote the utilization of recent pathbreaking developments in nonlinear science in plasma turbulence and transport. To promote cooperative scientific investigations between the US and CIS in the related areas of nonlinear science and plasma turbulence and transport. In the work reported in our progress report, we have studied simple models which are motivated by observation on actual fusion devices. The models focus on the important physical processes without incorporating the complexity of the geometry of real devices. This allows for a deeper analysis and understanding of the system both analytically and numerically.

The Underground Injection Control Branch of the Office of Drinking Water, US Environmental Protection Agency requested evaluation of a document submitted by Disposal Systems, Incorporated (DSI), in which health based limits (HBLS) were established for 442 hazardous compounds listed in 40 CFR 261, Appendix VII[I and 40 CFR 264, Appendix IX. The contractor was asked to review the document, evaluate the proposed methods for assigning HBLS, and determine whether - the relationship established between HBLs and concentration reduction factors is valid. He was also asked to determine the suitability of the use of ``reference molecules`` as a substitute for those compounds for which no data allows specification of HBLs and evaluate whether DSI`s approach could be used to modify and upgrade UIC Guidance No. 7 1. Finally, the feasibility of computer model simulations was to be considered if complex and varied mixes of compounds were to be injected.

Theoretical work on the following topics is briefly summarized: symmetry structure of conformal affine Toda model and KP hierarchy; solitons in the affine Toda and conformal affine Toda models; classical r-matrices and Poisson bracket structures on infinite-dimensional groups; R-matrix formulation of KP hierarchies and their gauge equivalence; statistics of particles and solitons; charge quantization in the presence of an Alice string; knotting and linking of nonabelian flux; electric dipole moments; neutrino physics in gauge theories; CP violation in the high energy colliders; supersymmetric quantum mechanics; parton structure functions in nuclei; dual parton model. 38 refs.

Theoretical work on the following topics is briefly summarized: symmetry structure of conformal affine Toda model and KP hierarchy; solitons in the affine Toda and conformal affine Toda models; classical r-matrices and Poisson bracket structures on infinite-dimensional groups; R-matrix formulation of KP hierarchies and their gauge equivalence; statistics of particles and solitons; charge quantization in the presence of an Alice string; knotting and linking of nonabelian flux; electric dipole moments; neutrino physics in gauge theories; CP violation in the high energy colliders; supersymmetric quantum mechanics; parton structure functions in nuclei; dual parton model. 38 refs.

Under subcontract from CONSOL Inc. (US DOE Contract No. DE-AC22-89PC89883), the University of Pittsburgh studied the use of ultraviolet resonance Raman (UVRR) spectroscopy for the characterization of coal liquefaction resids. This study suggests that with further development the UVRR spectroscopy method may prove useful for the examination of the aromatic and unsaturated species in distillation resid materials derived from direct coal liquefaction. The technique, which was previously used for the examination of polycyclic aromatic hydrocarbons (PAH) in biomedical materials, petroleum, and polymer systems, was applied to the tetrahydrofuran (THF)-soluble portion of six 850{degrees}F{sup +} distillation resids. The results of this study indicate that the UVRR method may, with additional development, become a useful tool for the analysis of the PAHs in coal-derived materials.

Under subcontract from CONSOL Inc. (US DOE Contract No. DE-AC22-89PC89883), the University of Pittsburgh studied the use of ultraviolet resonance Raman (UVRR) spectroscopy for the characterization of coal liquefaction resids. This study suggests that with further development the UVRR spectroscopy method may prove useful for the examination of the aromatic and unsaturated species in distillation resid materials derived from direct coal liquefaction. The technique, which was previously used for the examination of polycyclic aromatic hydrocarbons (PAH) in biomedical materials, petroleum, and polymer systems, was applied to the tetrahydrofuran (THF)-soluble portion of six 850[degrees]F[sup +] distillation resids. The results of this study indicate that the UVRR method may, with additional development, become a useful tool for the analysis of the PAHs in coal-derived materials.

Pilot plant trials with the horizontal vessel were completed. Design of a third pressurized vessel and an offgas cleaning and tempering system was completed. Installation is now underway. A basic study and a pre-engineering design of a 350,000-metric ton/y demonstration plant were completed, and efforts are underway to develop such a demonstration plant at a host steel company. Foreign filings have been prepared for the two-zone countercurrent smelter (patent applied for). Work with a water model of two-zone smelter was completed. The horizontal smelter program was completed. Trials were conducted to determine how sulfur is partitioned among the hot metal, slag, and offgas. Design of offgas cleaning and tempering loop was completed.

Pilot plant trials with the horizontal vessel were completed. Design of a third pressurized vessel and an offgas cleaning and tempering system was completed. Installation is now underway. A basic study and a pre-engineering design of a 350,000-metric ton/y demonstration plant were completed, and efforts are underway to develop such a demonstration plant at a host steel company. Foreign filings have been prepared for the two-zone countercurrent smelter (patent applied for). Work with a water model of two-zone smelter was completed. The horizontal smelter program was completed. Trials were conducted to determine how sulfur is partitioned among the hot metal, slag, and offgas. Design of offgas cleaning and tempering loop was completed.

The US Department of Energy (DOE) through its CHAMMP initiative, hopes to develop the capability to make meaningful regional climate forecasts on time scales exceeding a decade, such capability to be based on numerical prediction type models. We propose research to consider theoretical limits to prediction of climate and climate change on appropriate time scales, to develop new mathematical techniques to utilize massively parallel processors (MPP), to actually utilize MPP's as a research tool, and to develop improved representations of some processes essential to climate prediction. In particular, our goals are to: Reconfigure the prediction equations such that the time iteration process can be compressed by use of MMP architecture, and to develop appropriate algorithms; develop local subgrid scale models which can provide time and space dependent parameterization for a state-of-the-art climate model to minimize the scale resolution necessary for a climate model, and to utilize MPP capability to simultaneously integrate those subgrid models and their statistics; and capitalize on the MPP architecture to study the inherent ensemble nature of the climate problem.