These annual meetings bring together contractors of the Division of Chemical Sciences in its basic research program on solar photochemical energy conversion to exchange information and to give interested government officials an opportunity to assess the current status of the program. This year's meeting was joined by 12 Canadian scientists with similar interests in solar photochemistry. This volume contains the program of the meeting, a list of attendees, the abstracts of 29 formal presentations and 36 posters, and a record of questions and answers following each presentation.

Quarterly report discussing fuel cell research and development work at Argonne National Laboratory (ANL). These efforts have been directed toward seeking alternative cathode materials to NiO for molten carbonate fuel cells. Particular emphasis has been placed on studying the relationship between synthesis conditions and the resistivity of doped and undoped LiFeO2 and Li2 MnO3 and on achieving a better understanding of the crystalline defect structures of the thermodynamically stable phases.

COMMIX-SA-1 is a three-dimensional, transient, single-phase, compressible-flow, component computer program for thermohydrodynamic analysis. It was developed for solar applications in general, and for analysis of thermocline storage tanks in particular. The conservation equations (in cylindrical coordinates) for mass, momentum, and energy are solved as an initial-boundary-value problem. The detailed numerical-solution procedure based on a modified ICE (Implicit Continuous-Fluid Eulerian) technique is described. A method for treating the singularity problem arising at the origin of a cylindrical-coordinate system is presented. In addition, the thermal interactions between fluid and structures (tank walls, baffles, etc.) are explicitly accounted for. Finally, the COMMIX-SA-1 code structure is delineated, and an input description and sample problems are presented.

Annual report of the Argonne National Laboratory Radiological and Environmental Research Division regarding activities related to the Center for Human Radiobiology. This report discusses studies on the health effects of radium.

Abstract: A network of five atmospheric aerosol samplers was established in the northeastern US starting in February 1977. Size-fractionated samples of the aerosol were collected continuously with four-hour time resolution until the network was dismantled in February 1980. The aerosol-loading and aerosol-chemistry data obtained over this three-year period are summarized in this report. In particular, the samples were analyzed for the sulfate acidity of the aerosol. The acidity was found to be quite high over prolonged periods of time, with the monthly averaged acidity approaching that of ammonium bisulfate at several of the sites. Monthly, seasonal, daily, and diurnal variations in aerosol particle loading and acidity, and sulfate, ammonium, and nitrate ion concentrations are presented. The aerosol-chemistry data are tabulated separately for each of the sampling sites.

The purpose of this study is to investigate the applicability of isotope correlation techniques (ICT) to the Light Water Reactor (LWR) and the Liquid Metal Fast Breeder Reactor (LMFBR) fuel cycles for nuclear material accountancy and safeguards surveillance. The isotopic measurement of the inventory input to the reprocessing phase of the fuel cycle is the primary direct determination that an anomaly may exist in the fuel management of nuclear material. The nuclear materials accountancy gap which exists between the fabrication plant output and the input to the reprocessing plant can be minimized by using ICT at the dissolver stage of the reprocessing plant. The ICT allows a level of verification of the fabricator's fuel content specifications, the irradiation history, the fuel and blanket assemblies management and scheduling within the reactor, and the subsequent spent fuel assembly flows to the reprocessing plant. The investigation indicates that there exist relationships between isotopic concentration which have predictable, functional behavior over a range of burnup. Several cross-correlations serve to establish the initial core assembly-averaged composition. The selection of the more effective functionals will depend not only on the level of reliability of ICT for verification, but also on the capability, accuracy and difficulty of …

DISPL is a software package for solving systems of nonlinear partial differential equations of initial value type over a two-dimensional spatial domain. This report described an extension of the approximation procedure to include spatial domains described by polar geometry. More generally the extension includes problems for which there is periodicity in one of the spatial directions.

This report describes the implementation of an algorithm of Stoer and Schittkowski for solving linearly constrained linear least-squares problems. These problems arise in many areas, particularly in data fitting where a model is provided and parameters in the model are selected to be a best least-squares fit to known experimental observations. By adding constraints to the least-squares fit, one can force user-specified properties on the parameters selected. The algorithm used applies a numerically stable implementation of the Gram-Schmidt orthogonalization procedure to deal with a factorization approach for solving the constrained least-squares problem. The software developed allows for either a user-supplied feasible starting point or the automatic generation of a feasible starting point, re-decomposition after solving the problem to improve numerical accuracy, and diagnostic printout to follow the computations in the algorithm. In addition to a description of the actual method used to solve the problem, a description of the software structure and the user interfaces is provided, along with a numerical example.

Waste forms of hydrogen-3, iodine-129, carbon-14, and krypton-85 separated from fuel reprocessing streams and procedures for managing them were analyzed regarding compliance with regulations. Transportation of these wastes in certain DOT-specification packagings would be permissible, but some of these packagings may not be acceptable in some disposal situations. Transportation of gaseous krypton-85 in a currently certified cylinder is possible, but a fuel reprocessor may wish to ship larger quantities per package. Disposal of tritium using a package designed by a DOE contractor and shallow land burial, in accord with the regulations of 10 CFR 61, seems practicable. Although 10 CFR 61 permits shallow land burial of iodine-129, the concentration limit requires distribution in a volume that may seem impractical to commercial fuel reprocessors. The concentration limit of 10 CFR 61 for shallow land burial of carbon-14 requires distribution in a lesser, although still large, volume. For both iodine-129 and carbon-14, management as high-level waste offers the advantage of smaller volumes. Similar advantages may be offered by greater confinement or non-near surface concepts for disposal. The concrete waste forms developed for these nuclides may not meet technical criteria being formulated for geologic disposal. The lack of accommodation of krypton-85 at disposal …

Report on application of nuclear magnetic resonance imaging to map the distribution of organic binder/plasticizers in cold-pressed ceramic parts.

Quarterly report discussing fuel cell research and development work at Argonne National Laboratory (ANL). This report describes efforts directed toward understanding and improving components of molten carbonate fuel cells and have included operation of a 10-cm square cell.

This report sets forth the plans for the Mathematics and Computer Science Division during the next five years. These plans build on the Division's strong research programs in applied analysis, computational mathematics, software methodology, and advanced computing. The report addresses five major issues: research programs, research environment, dissemination of research techniques, initiatives, and resource projections.

The concurrent acquisition of flow-induced vibration (FIV) test data for several configurations of an industrial-size shell-and-tube heat exchanger made possible this evaluation of the HXVA method for six cases. Recommendations to improve the prediction capability were made, with priority on the excitation mechanism for dense fluid flows with non-uniform velocity distributions.

This effort was directed at developing an electrochemical process for forming uniform and dendrite-free deposits of uranium from molten salts. This process is to be used for the electroformation of free-standing hemispherical shells of uranium for nuclear applications.

The optical spectra of actinide ions in the compound AnCl₃ and doped into single crystal LaCl₃ were interpreted in terms of transitions within 5f{sup N} configurations. Energy-level calculations were carried out using an effective operator Hamiltonian, the parameters of which were determined by fitting experimental data. Atomic and crystal-field matrices were diagonalized simultaneously assuming an approximate D{sub 3h} site symmetry. The spectroscopic data were taken from the literature but in most cases supplemented by unpublished measurements in absorption and in fluorescence. Spectroscopic data for each ion were analyzed independently, then the model parameters were intercompared and in many cases adjusted such that in the final fitting process the principal interactions showed uniform trends in parameter values with increasing atomic number. Consistent with analyses of the spectra of lanthanide ions in both LaCl₃ and LaF₃, abrupt changes in magnitude of certain crystal-field parameters were found near the center of the 5f{sup N}-series. This resulted in two groups of parameter values, but with consistent trends for both halves of the series, and generally very good agreement between observed and computed energies. A new energy level chart based on computed crystal-field level energies for each trivalent actinide ion has been prepared. in addition, …

This manual was designed to provide complete documentation for the computer system used by the EBR-II Fuels and Materials Department, Argonne National Laboratory-West (ANL-W) for accountability of special nuclear materials (SNM). This document includes background information on the operation of the Fuel Manufacturing Facility (FMF), instructions on computer operations in correlation with production and a detailed manual for DYMAC operation. 60 figs.

Report of how table-driven techniques can be used to test highly accurate implementations of EXP and LOG.

ANL/HTP is a computer code for the simulation of heat pipe operation, to predict heat pipe performance and temperature distributions during steady state operation. Source and sink temperatures and heat transfer coefficients can be set as input boundary conditions, and varied for parametric studies. Five code options are included to calculate performance for fixed operating conditions, or to vary any one of the four boundary conditions to determine the heat pipe limited performance. The performance limits included are viscous, sonic, entrainment capillary, and boiling, using the best available theories to model these effects. The code has built-in models for a number of wick configurations - open grooves, screen-covered grooves, screen-wrap, and arteries, with provision for expansion. The current version of the code includes the thermophysical properties of sodium as the working fluid in an expandable subroutine. The code-calculated performance agrees quite well with measured experiment data.

Report on utilization of advanced computer technologies in biological sequencing.

Report describing a collection of 100 Fortran loops used to test the effectiveness of an automatic vectorizing compiler.