AndreaBozzo/ceres-open-data-index huggingface dataset:
A SYSTEM FOR QUANTITATIVE ANALYSIS BY AUTOMATED X-RAY POWDER DIFFRACTION

"This document describes a series of independent FORTRAN programs which process the data files created by AUTO. In addition to quantitative analyses the programs yield relative intensities, reference intensity ratios, and run files which direct the data collection for quantitative analysis of unknowns. Four methods of quantitative analysis have been implemented: (1) the spiking method (addition of analyte), (2) the intensity ratio method, with or without the use of a special narrow slotted sample holder, (3) the internal standard method using reference intensity ratios [10, 11] in which both line overlap and chemical constraints are allowed, and (4) a modified spiking method for amorphous content determination. There are five quantitative analysis programs, two of which provide several options. Each of the five programs calls on a common set of FORTRAN subroutines to read AUTO data files, to calculate the net intensity of each line, and to calculate the variance of the net intensity of each line. These subroutines are discussed in chapter IV. Program SPIKE, for quantitative analysis by the spiking method, is presented in chapter V. Program RUNFIL, described in chapter VI, has several purposes. It can calculate relative intensities and reference intensity ratios. It is also used to prepare run files for directing data collection and analysis of a multiphase mixture using data collected on calibration standards. Program QUANT, chapters VII and VIII, performs quantitative analyses by either the intensity ratio method or the internal standard method of analysis. If line overlap must be analyzed or if the user wishes to introduce quantitative elemental data or if certain constraints on the derived weight fractions are to be employed QUANT writes a scratch file to be read and processed by program COBRAG. Program COBRAG, chapter IX, is only applicable for analysis by the internal standard method but is exceptionally general otherwise. The program AMORPHOUS, Chapter X, implements a modified spiking method for direct determination of amorphous content.  All of the programs reported here were written in FORTRAN 77 to enhance portability and were written to permit interactive execution. The output of each program should be directed to a 132 character printer. Print out of each program is included as examples of their use. The programs are available from the authors on magnetic tape. Included on the tape are the source language routines and the test decks used to produce the examples discussed in this report."

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THERMAL ANALYSIS IN EARTH SCIENCE: EXPERIENCE AND EXPECTATIONS

Thermal analysis in earth science is a relatively mature field with a huge background of experience. Throughout its development thermal analysis has been preoccupied with characterization of rocks and minerals, the primary use of thermal analysis in earth science. The clays, now largely a standardized part of ceramics studies, claimed a major part of the early work. Recently, however, development of thermal analysis in the area of earth science has slackened.

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SYNFUELS: OIL SHALE AND TAR SANDS

Oil shale and tar sands occupy a unique position in the diverse energy sources assembled into the group entitled “Synthetic Fuels” or “Synfuels.” First, both oil shale and tar sands are already fossil (not synthetic) fuels. Second, the basic extraction treatments for oil shale and tar sand yield oil. This oil can feed directly into and help support our well-established dependence on petroleum and natural gas, which now contribute a major part of the U.S. total energy supply. Third, costs for producing major amounts of oil from oil shale and tar sand resources appear significantly lower than those associated with coal hydrogenation, the only other synfuels source of significant amounts of petroleum-like materials.

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SIMULTANEOUS DTA-TG-MSA APPARATUS FOR THERMAL STUDY OF NATURAL FUELS

Quadrupole equipment added to apparatus designed expressly for thermal analysis of natural fuels like oil shale provides continuous mass spectrometric analysis (MSA) of evolving gases, differential thermal analysis (DTA), and thermogravimetry (TG) simultaneously on a single sample. Described is tested apparatus developed specifically to solve problems inherent in thermal analysis of solid fuels. Key to this solution is the use of thin, flat pans as sample holders. Adaptation of the quadrupole equipment to sample and analyze evolving gases in a carrier stream is described. Because gases evolve rapidly from the thin sample layer, the resulting gas analysis corresponds closely with DTA and TG results. Tests run on Green River Formation oil-shale minerals demonstrate the value of the MSA data generated by the quadrupole gas analyzer.

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CHAPTER 6 ISOLATION PROCEDURES FOR KEROGENS AND ASSOCIATED SOLUBLE ORGANIC MATERIALS

"Kerogens are of geochemical interest because they represent one of the most abundant forms of carbonaceous materials. The term “kerogen”, or “oil-former”, was originally given to the organic matter in oil shales, torbanite, kukersite, and others. Recently, broader usage has been made of the term in describing the insoluble organic material present in nonreservoir sedimentary rocks and other rocks. The soluble organic materials associated with oil-shale kerogens are of particular interest because they are usually indigenous to the formation and have had little opportunity for migration because of the low porosity and low permeability of the formations.    Down and Himus [1] published a classification f shales and coals based upon a number of properties including the yield of oil on distillation. By this classification, the term “kerogen rocks” describes sedimentary deposits containing insoluble organic kerogen which on distillation yields an oil equivalent to more than 50 percent of the organic content of the rock. Similarly, the term “kerogen coals’ describes sedimentary materials containing organic matter which upon distillation yields an oil equivalent to more than 10 percent and less than 50 percent of the organic content.    In the present discussion, the term “kerogen” will be used to describe the insoluble organic material present in kerogen rocks. The term “bitumen” will be used to describe the soluble organic material present in the kerogen rock based upon solubility in a hydrocarbon solvent. Other nomenclature will be self-explanatory. For example, the material solubilized by methanol will be referred to as “methanol-soluble material”.    The discussion covers the isolation of kerogen, bitumen, fatty acids, porphyrins, amino acids, and carbohydrates from kerogen rocks. The procedures as described are intended to be informative without any implication of recommended usage. Other methods are applicable and in some circumstances may be preferred. Likewise, the articles reviewed were chosen for the subject matter discussed and no attempt has been made to completely review the subject."

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C AND H NUCLEAR MAGNETIC SHIELDINGS AND ELECTRICAL EFFECTS OF ORTHO SUBSTITUENTS IN MONOSUBSTITUTED PYRIDINES

"The complexity of problems associated with the application of the Hammett equation to heterocyclic compounds has been recently discussed by Jaffe and Jones (1) and by Charton (2). The former authors point out that extension of the relationship to the 2-position of pyridine is questionable because the Hammett equation does not apply to substituents in orhopositions. Since magnetic shielding of 13C and 1H nuclei in the para-positions of mono-substituted benzenes have been found to correlate well with Hammett constants (3), we undertook the measurement of the shielding of the corresponding atoms, i.e., those in the 5-positions, in 2-substituted pyridines to investigate the electrical effects of ortho-sub-stituents in monosubstituted pyridines.    Substituent effects on the 13C and 1H chemical shift are given in table 1. Except for the 13C datum for 2-picoline which was taken from the work of Lauterbur (4), all measurements were made in these laboratories. A negative substituent effect means that upon substitution of the hydrogen in the 2-position of pyridine, a paramagnetic displacement of the NMR signal arising from the carbon or proton in the 5-position occurs. Corresponding data for the monosubstituted benzenes are included in the table for comparison. Data for the latter are all taken from the work of Spicsecke and Schneider (3) except those for ethylbenzene and benzonitrile, which are from the work of Dhami and Stothers (5) and Retcofsky and Friedel (6) respectively. The substituents are listed in order of increasing constants."

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PROPOSED PATHS TO PRODUCTS OF PYRROLE AUTOXIDATION

"Pyrroles are unstable in the presence of oxygen and participate in the oxidative process by which color, gum, and sludge are formed in petroleum and shale-oil distillates (5, 6, 11, 19). This deterioration is generally more rapid and extensive in shale-oil naphtha than in petroleum naphtha, the difference being attributed in part to the substantially higher concentration of pyrrolic nitrogen in shale-oil naphtha.    Autoxidation of pyrroles under mild conditions, similar to those leading to the deterioration, of distillate fuels, is, therefore, of interest in the study of gm formation. The process by which pyrroles react with oxygen has received little attention, although some products of the reaction have been identified. Succinimide was identified as a minor product of the air oxidation of pyrrole (2). Air oxidation of several carbon-substituted alkylpyrroles with free alpha positions gave products for which the peroxide structure was proposed (10). However, these substances gave no test for active oxygen, and the structure has been questioned on other grounds (14). Photo-oxidation of dilute aqueous solutions of pyrrole (1, 4) and 1-methylpyrrole (4) under very mild conditions gave products isomeric with the corresponding succinimides.    This is a report of the autoxidation of 1-methylpyrrole, 1-isopropylpyrrole, and 1-butylpyrrole at 50 degrees C under one atmosphere of oxygen. Oxygen consumption rates, identification of reaction products, and appearance times of these reaction products led to inference concerning the mechanisms of the oxidation reactions."

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COLORIMETRIC DETERMINATION OF THIOPHENIC SULFUR

"The determination of thiophene and its homologs in shale-oil naphtha by a colorimetric method based on the indophenine reaction was unsuccessful. This application of the method failed because the various thiophane homologs give condensation products having colors that are not directly comparable. Also, the presence of olefins, even in small quantities, introduces large errors in the determination.    The present investigation was undertaken because the customary determination of thiophenic sulfur by extraction with mercuric nitrate (1) cannot be used on shale-oil naphtha as the large quantities of olefins present react with the reagent (4). In an ordinary group sulfur analysis of shale-oil naphtha, therefore, the thiophenic sulfur is classed with the residual group that is not determined directly. As most of the sulfur in shale-oil naphtha falls in this group, a direct determination of thiophenic sulfur is desirable.    An attempt was made to adapt a colorimetric method for the determination of thiophene in gasoline (5) to the determination of thiophenic sulfur in shale-oil naphtha. The method, as published, was modified slightly and standardized to improve its precision. The investigation of the applicability of the method to shale-oil naphtha included a study of the effect of thiophene homologs and also of possible interfering substances, such as olefins and pyrroles."

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A HYDRAULIC-POWERED PLATFORM FOR SCALING HIGH BACKS AND WALLS

A hydraulic scaling rig was placed in operation at the Bureau of Mines oil-shale mine near Rifle, Colo., in 1953. The rig consists of a self-leveling platform mounted on a hydraulic-powered boom. The boom is mounted on the bed of a diesel truck. The equipment provides a movable work platform from which two men can work in safety and comfort while barring loose rock from the backs and walls of the rooms, pillars, and haulageways.

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TATMAN FORMATION

The general stratigraphy of the Tatman Formation of Eocene age has been described by Van Houten (1944) and will not be repeated here. Instead, details of two measured sections of the formation (figs. 1 and 2) are presented. Other outcrops of the formation are related to these sections. In addition, analyses of kerogenic shales in the Tatman Formation at Tatman Mountain are given.

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PHYSICAL AND CHEMICAL STRUCTURE OF KEROGEN

The data presented here was obtained from a study of the constitution of the kerogen present in Green River oil shale from Rifle, Colo. By the Bureau of Mines unless indicated otherwise. It is believed that the samples studied are representative of the entire Green River formation; however, minor difference may be evident by closer examination of the kerogen obtained from various locations in the formation. Major differences, similar to those exhibited by kerogens from different formations, probably do not exist.

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RECENT DEVELOPMENTS IN ORGANIC RANKINE CYCLE POWER RECOVERY EQUIPMENT AND APPLICATION TECHNIQUE

The use of organic working fluids in Rankine power cycles became an increasingly attractive option when the cost of electric power began to increase significantly in the late 1970s. During this period, a reevaluation of the value of "low-temperature" thermal energy was made. Due to the fact that organic fluid Rankine cycles provide superior performance with simpler equipment than steam  at power cycle peak temperatures below 500 o F, a wide variety of organic Rankine cycle (ORC) systems for geothermal, solar, and industrial applications were funded by both government and private interests.

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MAPPING FIREFLOODS

"Fireflooding is a tertiary oil recovery method with particular  application in underpressured reservoirs containing viscous crude oil. Air or oxygen is injected into a well, the oil is ignited at the hole bottom and continued injection of oxidant results in the progression of a discrete combustion front towards production wells. Production enhancement occurs through four interrelated processes : increase in pressure gradient, viscosity reduction through heating, thermocracking of high molecular weight crude oil to lighter molecules, and viscosity reduction through gas (CO2, CH4., C2H6,) entering into solution in the hydrocarbon phase."

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MODELING OF MULTI-WELL PATTERNS IN AN ANISOTROPIC HETEROGENEOUS POROUS MEDIA

"The theory and practice of recovering fluids from underground reservoirs with wells has long been the subject of study. Water and petroleum products drawn by wells have long been vital part of our social and  economic system. However recent interest in  underground combustion and the accompanying flow processes have been stimulated by the incurring energy shortage investigation is under way in various countries, for example Canada, the Soviet Union, and the U.S.A., on in situ combustion of coal, oil shale  and tar sands. There in situ processes often require the drilling of wells for injection of air into the material being processed and the recovery of the resulting combustion products."

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AEROSOL CAPTURE IN GRANULAR BEDS IN THE IMPACTION DOMINATED REGIME

Single grain capture efficiencies n for high speed gas glow through clean granular beds are reported.  The aerosol particles range in diameter Dp from about 0.6 to 4.5 um; both liquid (dioctyl phthalate) and solid (potassium biphthalate) aerosol particles were used.  The grains used were spheres of diameter Dg equal to 2 or 4 mm and pen gravel with an effective diameter of 4mm.  The superficial gas velocity U was varied from about 0.1 to 6 m/sec.  Impaction is the dominate capture mechanism for these conditions.

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ENHANCED OIL RECOVERY INJECTION WATER

"Oilfield waters occur with petroleum in petroleum reservoirs  in sedimentary basins. Knowledge of the occurrence, origin , evolution , chemical and physical properties, sampling and analysis methods of oilfield waters , is important in enhanced oil recovery technology. Also important is knowledge of the types of injection waters used in enhanced oil recovery, as well as some problems associated with injection waters such as compatibility,  clay sensitivity, corrosion, and bacteria. This chapter attempts to introduce the reader to some of these areas ."

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SURFACE MINING OF NON-COAL MINERALS, A STUDY OF MINERAL MINING FROM THE PERSPECTIVE OF THE SURFACE MINING CONTROL AND RECLAMATION ACT OF 1977 (COMMITTEE ON SURFACE MINING AND RECLAMATION)

"COSMAR finds that, in general, the broad purposes of the  Surface Mining Control and Reclamation Act (PL 95-87) in protecting society and the environment from the surface  effects of mining are being or can be met using existing or  developing technology. There are, however, particular  provisions of the Act that either cannot be met by existing  technology or for which the efforts to adapt technology  would be extremely difficult and not necessarily beneficial.  COSMAR identifies ways in which the surface effects of coal mining and of non-coal mining are similar and ways in which they differ. In so doing, the committee analyzes the  applicability of the Act's technical provisions to non-coal  minerals, drawing on numerous examples identified in the  course of the study (Chapter 5) .  A principal finding is that most non-coal mineral mines,  despite their obvious diversity, can be considered in two  major groups : the numerous, mostly small, units mining  construction materials in all of the States; and the few  gigantic metal mines and other deposits confined to limited  regions. With few exceptions neither of the two groups is  amenable to the coal mining practices addressed by the Act (Section 5 .4). However, minerals such as pebble phosphate in Florida and red-bed copper in Oklahoma that are stripmined can concurrently be reclaimed by mining in the manner envisaged in the Act."

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BENCH SCALE EQUIPMENT AND TECHNIQUES FOR INVESTIGATION OF HIGH PRESSURE REACTIONS

The design and operation of experimental equipment for the Bureau of Mines investigation of hydrogenation of coal as a source of synthetic liquid fuel is complicated by the rigorous requirements of the process.  The use of high pressures (1000 to 12,000 p.s.i.g.) and high temperatures (350 to 600 C.) coupled with the corrosive and erosive nature of the products necessitates specialized and carefully planned equipment.  Three types of experimental high pressure units are in use at the Bureau of Mines:  Batch autoclaves, or in genera units in which no flow of reactants or products takes place; semi-continuous units where part of either the reactants or products are in continuous flow; completely continuous units wherein all reactants are fed into and all products removed from the reactors or converters.  Various problems in design of these units, including suitable protection for operating personnel, are discussed.  Material of construction , vessel closures, internal liners and techniques of operation and control for batch-type units and described.  Examples of piping joints, valves and instruments of special design required for units wherein continuous flow of materials difficult to handle because of their corrosive or erosive nature are outlined.  Comparisons are made between the equipment used in Germany for small scale and pilot plant research and the units at the Bureau of Mines.

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ZONE-MELTING CHROMATOGRAPHY OF ORGANIC MIXTURES

Zone-melting chromatography involves placing a sample at some point in a solidified column of purified solvent and then distributing the sample through the solid solvent by repeated passes of the molten zone. Several workers (1, 2) have used this technique to study the molecular-weight distribution of polystyrene. Their results indicated that a molecular-weight distribution of the polymer had occurred within the solvent column after repeated passes of the molten zone and that the highest-molecular-weight material was at the top of the column.

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VISCOELASTIC MEASUREMENTS AND THEIR RELATIONSHIP TO BITUMEN PROPERTIES

Viscoelastic measurements of bitumens made on a mechanical spectrometer assisted with bitumen-again characteristics, adsorption of bitumen components on mineral surfaces, and the effect of moisture on the bitumen components on mineral surfaces, and the effect of moisture on the bitumen-aggregate interactions. Irregular transitions believed related to changes in molecular structuring in bitumens were observed in the viscoelastic and asphaltene settling times data following time-dependent oxidative aging of the bitumens.

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USE OF INDUCTION HEATING IN THE ZONE-MELTING OF ORGANIC COMPOUNDS

"An investigation was undertaken to study the feasibility of using induction heating, with an internal susceptor, in the zone melting of organic compounds. Zone melting is a generic term embracing a variety of techniques that involve passing a molten zone through a solid sample; the components of the sample are thus distributed according to their differences in solubility in the solid and molten phases. The zone-melting principle is used in zone refining, a purification technique; in zone leveling, a method for distributing trace components to produce special-property alloys; in zone chromatography, a method suggested (6) for separating complex mixtures; and in many other applications. (7) The ultimate goal of the investigation was the development of zone chromatography for the separation of components of high-boiling petroleum fractions and residues.  Zone refining was first applied to metals (4) and yielded purides previously considered impossible. The process involves the repeated passage of a molten zone in one direction through a solid in get of sample.  The zone refining technique has been used in this laboratory to purify standard samples of organic nitrogen compounds for American Petroleum Institute Research Project 52. (1) In the course of this zone refining work, researchers became aware of certain characteristics of the externally heated zone-melting system that handicap its use in zone chromatography."

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SHALE OIL PRODUCTS AS REPLACEMENTS FOR PETROLEUM COUNTERPARTS IN PAVEMENT APPLICATIONS

"Recent laboratory results showed that certain fractions from shale oil exhibit some physical properties that are superior to their petroleum counterparts when utilized in asphalt pavements. Fractions studied were shale oil asphalt obtained by vacuum distillation of heavy oil, a basic nitrogen concentrate obtained as byproduct from the experimental refining of shale oil, and a 342-382 degrees C (648-720 degrees F) shale oil distillate.  Shale oil asphalt-aggregate adsorption studies showed that higher concentrations of asphalt components were adsorbed by the aggregate and that lesser amounts of the strongly adsorbed components were displaced from the aggregate by water than in similar studies involving petroleum asphalts. Shale oil asphalt-aggregate mixtures were more resistant to moisture damage than petroleum-derived mixtures. Addition of 0.5 percent of a basic nitrogen concentrate to a petroleum asphalt-aggregate mixture greatly reduced its susceptibility to moisture damage. In a previous study, a shale oil distillate fraction used as a recycling agent for and petroleum asphalt produced results comparable to those with a petroleum-derived commercial recycling agent.  These results, together with the actual field performance of a 27-year-old pavement constructed with shale oil residues, clearly show that certain of shale oil’s least desirable products from an energy viewpoint have promising potential in extending the useful life of our nation’s highways and streets. The use of shale oil products in this vital application would enhance the economics of a shale oil industry and would free equivalent amounts of more energy-desirable petroleum counterparts for use as fuels."

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