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Results for “Organic Geochemistry”

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USGS1987

Solid-state 13C NMR studies of dissolved organic matter in pore waters from different depositional environments

Dissolved organic matter (DOM) in pore waters from sediments of a number of different depositional environments was isolated by ultrafiltration using membranes with a nominal molecular weight cutoff of 500. This > 500 molecular weight DOM represents 70–98% of the total DOM in these pore waters. We determined the gross chemical structure of this material using both solid-state 13 C nuclear magnetic resonance spectroscopy and elemental analysis. Our results show that the DOM in these pore waters appears to exist as two major types: one type dominated by carbohydrates and paraffinic structures and the second dominated by paraffinic and aromatic structures. We suggest that the dominance of one or the other structural type of DOM in the pore water depends on the relative oxidizing/reducing nature of the sediments as well as the source of the detrital organic matter. Under dominantly anaerobic conditions carbohydrates in the sediments are degraded by bacteria and accumulate in the pore water as DOM. However, little or no degradation of lignin occurs under these conditions. In contrast, sediments thought to be predominantly aerobic in character have DOM with diminished carbohydrate and enhanced aromatic character. The aromatic structures in the DOM from these sediments are thought to arise from the degradation of lignin. The large amounts of paraffinic structures in both types of DOM may be due to the degradation of unidentified paraffinic materials in algal or bacterial remains.

Organic Geochemistry↗

USGS1987

Presence and potential significance of aromatic-ketone groups in aquatic humic substances

Aquatic humic- and fulvic-acid standards of the International Humic Substances Society were characterized, with emphasis on carbonyl-group nature and content, by carbon-13 nuclear-magnetic-resonance spectroscopy, proton nuclear-magnetic-resonance spectroscopy, and infrared spectroscopy. After comparing spectral results of underivatized humic and fulvic acids with spectral results of chemically modified derivatives, that allow improved observation of the carbonyl group, the data clearly indicated that aromatic ketone groups comprised the majority of the carbonyl-group content. About one ketone group per monocyclic aromatic ring was determined for both humic and fulvic acids. Aromatic-ketone groups were hypothesized to form by photolytic rearrangements and oxidation of phenolic ester and hydrocarbon precursors; these groups have potential significance regarding haloform formation in water, reactivity resulting from active hydrogen of the methyl and methylene adjacent to the ketone groups, and formation of hemiketal and lactol structures. Aromatic-ketone groups also may be the point of attachment between aliphatic and aromatic moieties of aquatic humic-substance structure.

Georgia↗

USGS1987

Multiple sources of alkanes in Quaternary oceanic sediment of Antarctica

Normal alkanes ( n -C 13 n -C 36 ), isoprenoid hydrocarbons ( i -C 15 , i -C 16 , i -C 18 , i -C 19 , and i -C 20 ) triterpanes (C 27 C 32 ), and (C 27 C 29 ) are present in low concentrations offshore Antarctica in near-surface, Quaternary sediment of the Wilkes Land continental margin and of the western Ross Sea. The distributions of these hydrocarbons are interpreted relative to possible sources and processes. The hydrocarbons appear to be mixtures of primary and recycled material from marine and terrigenous sources. The n -alkanes are most abundant and are characterized by two distinct populations, one of probable marine origin and the other likely from terrigenous, vascular plant sources. Because the continent of Antarctica today is devoid of higher plants, the plant-derived hydrocarbons in these offshore sediments probably came from wind-blown material and recycled Antarctic sediment that contains land-plant remains from an earlier period of time. Isoprenoid hydrocarbons are partially recycled and mainly of marine origin; the dominance of pristane over phytane suggests oxic paleoenvironmental conditions. Both modern and ancient triterpanes and steranes are present, and the distribution of these indicates a mixture of primary and recycled bacterial, algal, and possible higher-plant materials. Although the sampled sediments were deposited during the Quaternary, they apparently contain a significant component of hydrocarbons of pre-Quaternary age.

Organic Geochemistry↗

USGS1987

Chemical structural studies of natural lignin by dipolar dephasing solid-state 13C nuclear magnetic resonance

Two natural lignins, one from a gymnosperm wood the other from angiosperm wood, were examined by conventional solid-state and dipolar dephasing 13 C nuclear magnetic resonance (NMR) techniques. The results obtained from both techniques show that the structure of natural lignins is consistent with models of softwood and hardwood lignin. The dipolar dephasing NMR data provide a measure of the degree of substitution on aromatic rings which is consistent with the models.

Virginia, Washington↗

USGS1987

Size and maceral association of pyrite in Illinois coals and their float-sink fractions

The amount of pyrite (FeS 2 ) removed by physical cleaning varies with differences in the amount of pyrite enclosed within minerals and of free pyrite in feed coals. A microscopic procedure for characterizing the size and maceral association of pyrite grains was developed and evaluate by testing three coals and their washed products. The results yield an index to the cleanability of pyrite. The index is dependent upon particle size and has intermediate values for feed coals, lower values for cleaned fractions, and higher values for refuse fractions; furthermore, it correlates with pyritic sulfur content. In the coals examined, the summed percentage of grain diameters of pyrite enclosed in vitrinite, liptinite, and bi- and trimacerite provides a quantitative measure of the proportion of early diagenetic deposition of pyrite.

Illinois↗

USGS1988

Petrographic characteristics of the Wyodak-Anderson coal bed (Paleocene), Powder River Basin, Wyoming, U.S.A.

Six lithofacies of the thick ( > 30 m) Wyodak-Anderson subbituminous coal bed of the Fort Union Formation (Paleocene), Powder River Basin, Wyoming, can be delimited using megascopic and petrographic data. Previous lithofacies analysis of the rock types associated with the Wyodak-Anderson bed suggested that raised peat accumulated in restricted parts of an inland flood plain. The peat bodies were separated by deposits of contemporaneous, possibly anastomosed channels. In this study, megascopic descriptions from four mine highwalls of the Wyodak-Anderson coal bed were found to be similar to facies defined by microscopic data from core and highwall samples. The data indicate that the upper and lower parts of the coal bed are rich in preserved wood remains (for instance, humotelinite), whereas the middle part of the bed contains comparatively larger amounts of material that resulted from degradation and comminution of the peat (e.g. eugelinite). The facies are interpreted to be the result of different chemical and biological environments at the time of peat formation.

Wyoming↗

USGS1988

Organic geothermometry of petroleum from Escanaba Trough, offshore northern California

We have measured the extent of hopane and sterane isomerization and of monoaromatic-steroid-hydrocarbon aromatization in a sample of hydrothermally derived petroleum from the Escanaba Trough, a sediment-covered, volcanically active ridge axis. The results, along with kinetic parameters, predict the possible time-temperature history of the petrolum-forming process for this sample. The extent of these reactions is consistent with petroleum formation by intense heating (about 300–350°C) if the time period of this heating was as short as about 100 yr. Such a time scale is reasonable for hydrothermal-discharge events associated with ridge-crest volcanism.

California↗

USGS1988

The molecular composition of ambers

Bulk (elemental composition, IR, CP/MAS 13 C NMR) and molecular (GC-MS) analyses have been performed on a series of ambers and resins derived from different locations (Dominican Republic, Philippines, Canada, Israel, New Zealand, Chile) having diverse botanical affinities ( Araucariaceae, Hymenaea ) and variable age (from Holocene to Early Cretaceous). No major differences have been observed from the elemental composition and the spectroscopic data; however, the molecular analyses of the solvent extractable fraction show that a specific mixture of components is present in each sample. These are mainly diterpenoid products that in general are also found abundantly in the higher plants from which the ambers and resins originate. Nevertheless, a direct relationship between major terpenoid constituents in fossil resins and precursor plant materials can only be established for the younger samples. Irrespective of the geographical or botanical origin of the ambers and resins, several common age-dependent molecular transformation trends can be recognized: (1) progressive loss of olefinic bonds (especially those located in exocyclic positions), (2) decrease of functionalized products, and (3) increasing proportion of aromatized components. However, even in the samples of older age (Cretaceous) the degree of aromatization is very low when compared with that of other higher-plant related materials such as fossilized woods or low rank coals. This indicates that maturation must involve essentially olefin polymerization processes instead of extensive aromatization.

Organic Geochemistry↗

USGS1988

Sedimentary biomarker and isotopic indicators of the paleoclimatic history of the Walker Lake basin, western Nevada

Walker Lake, a terminal saline lake in western Nevada, has experienced major fluctuations in its water level due to changes in the regional climate during Quaternary times. As part of a paleo-climatological study of western Nevada, we have investigated organic matter δ 13 C and C/N values and lipid biomarker contents of sediments deposited at various periods over the past 150 thousand years of lake history. Surficial sediments from two cross-lake transects contain mostly lake-derived organic matter. Diagenetic losses of organic matter are evident in deeper sediments, and the proportion of aquatic and terrigenous organic materials changes in response to variations in preservational factors. Source identification of organic matter is complicated by the probability that Walker Lake has experienced desiccation at various times in its history which impacts the degree of preservation of organic substances.

Nevada↗

USGS1988

Low molecular weight species in humic and fulvic fractions

Fourier transform solution 1 H nuclear magnetic resonance (NMR) spectrometry with homogated water peak irradiation is a useful method for detecting low molecular weight substances in humic extracts. Succinate, acetate, methanol, formate, lactate and some aryl methoxyl compounds have been detected in extracts from a wide range of sources. In view of the controversy over whether low molecular weight substances are contaminants in humic extracts introduced by the concentration procedure, we report that some of these materials are not contaminants since 1 H-NMR can be used to follow their formation from higher molecular weight species.

Organic Geochemistry↗

USGS1988

Detection of tannins in modern and fossil barks and in plant residues by high-resolution solid-state 13C nuclear magnetic resonance

Bark samples isolated from brown coal deposits in Victoria, Australia, and buried wood from Rhizophora mangle have been studies by high-resolution solid-state nuclear magnetic resonance (NMR) techniques. Dipolar dephasing 13 C NMR appears to be a useful method of detecting the presence of tannins in geochemical samples including barks, buried woods, peats and leaf litter. It is shown that tannins are selectively preserved in bark during coalification to the brown coal stage.

Organic Geochemistry↗

USGS1989

Carbon isotope effects associated with autotrophic acetogenesis

The carbon kinetic isotope effects associated with synthesis of acetate from CO 2 and H 2 during autotrophic growth of Acetobacterium woodii at 30°C have been measured by isotopic analyses of CO 2 , methyl-carbon, and total acetate. Closed systems allowing construction of complete mass balances at varying stages of growth were utilized, and the effects of the partitioning of carbon between CO 2 and HCO 3 − were taken into account. For the overall reaction, total carbonate → total acetate, isotope effects measured in replicate experiments ranged from −59.0 ± 0.9% to − 57.2 ± 2.3 z %. Taking into account all measurements, the weighted mean and standard deviation are −58.6 ± 0.7%. There is no evidence for intramolecular ordering in the acetate. The carbon isotopic composition of sedimentary acetate, otherwise expected to be near that of sedimentary organic carbon, is likely to be depleted in environments in which autotrophic acetogenesis is occurring.

Organic Geochemistry↗

USGS1989

Spectroscopic evidence for organic diacid complexation with dissolved silica in aqueous systems—I. Oxalic acid

Increased solubility of quartz and mobilization in contaminated groundwater due to the complexation with dissolved organic acids has been recently proposed [Bennett and Siegel, Nature 326 , 684–686 (1987)]. Using laser Raman and Fourier transform infrared spectroscopies, we have examined mixed solutions of oxalic and silicic acids at near neutral pH in the tenth molar concentration ranges in an attempt to directly observe the proposed organo-silicate complexes. In both laser Raman and infrared spectra, product bands were observed that indicate an oxalate/silicic acid ester is being formed in the reaction. These data support the observation that organic diacids can lead to enhanced solubility of quartz in hydrogeological systems.

Organic Geochemistry↗

USGS1989

Solid-state 13C NMR studies of a large fossil gymnosperm from the Yallourn Open Cut, Latrobe Valley, Australia

A series of samples taken from the cross section of a 3-m-diameter fossilized gymnospermous log ( Araucariaceae ) in the Yallourn Seam of the Australian brown coals was examined by solid state 13 C nuclear magnetic resonance to delineate chemical changes related to the combined processes of peatification and coalification. The results show that cellulosic materials were degraded and lost on the periphery of the log, however, the degree of such degradation in the central core is substantially less. The lignin is uniformly altered by coalification reactions to a macromolecular substance displaying decreased aryl ether linkages but significantly greater amounts of carbon linkages compared to modern lignin. Changes in the methoxyl carbon contents of lignin in cross section reveal demethylation reactions, but these do not appear to be related to degree of carbon linking. Both the degredation of cellulosic materials and demethylation of lignin appear to be early diagenetic processes occurring during peatification independently of the coalification reactions.

Latrobe Valley↗

USGS1989

The effects of volcanic ash on the maceral and chemical composition of the C coal bed, Emery Coal Field, Utah

Volcanic ash which fell in the peat swamp that formed the Upper Cretaceous C coal bed (Ferron Sandstone Member of the Mancos Shale, Utah) produced semi-impermeable layers that caused the ponding of surface waters. Coal samples from directly above tonsteins (altered volcanic ash partings) are enriched in desmocollinite, telinite, and detrocollinite, as a result of poorly drained swamp conditions; coal samples from directly below tonsteins are enriched in semifusinite, inertodetrinite, and fusinite, as a result of well-drained conditions. Leaching of the volcanic ash or the incorporation of volcanic ash in peat provided a source for many elements (including Zr, Nb, Th, and Ce) that are enriched in coal samples taken from directly above and below tonsteins.

Utah↗

USGS1989

Solid-state 13C nuclear magnetic resonance studies of coalified gymnosperm xylem tissue from Australian brown coals

We report here on the use of solid-state 13 C nuclear magnetic resonance (NMR) spectroscopy to contrast the average chemical composition of modern degraded gymnosperm woods with fossil gymnosperm woods from Australian brown coals (Miocene). We first established the quantitative nature of the NMR techniques for these samples so that the conventional solid-state 13 C NMR spectra and the dipolar dephasing NMR spectra could be used with a high degree of reliability to depict average chemical compositions. The NMR results provide some valuable insights about the early coalification of xylem tissue from gymnosperms. Though the cellulosic components of wood are degraded to varying degrees during peatification and ensuing coalification, it is unlikely that they play a major role in the formation of aromatic structures in coalified woods. The NMR data show that gynmosperm lignin, the primary aromatic contribution to the coal, is altered in part by demethylation of guaiacyl-units to catechol-like structures. The dipolar dephasing NMR data indicate that the lignin also becomes more cross-linked or condensed.

Organic Geochemistry↗

USGS1990

Origin and migration of hydrocarbon gases and carbon dioxide, Bekes Basin, southeastern Hungary

The Békés Basin is a sub-basin within the Pannonian Basin, containing about 7000 m of post-Cretaceous sedimentary rocks. Natural gases are produced from reservoirs (Precambrian to Tertiary in age) located on structural highs around the margins of the basin. Gas composition and stable carbon isotopic data indicate that most of the flammable gases were derived from humic kerogen contained in source rocks located in the deep basin. The depth of gas generation and vertical migration distances were estimated using quantitative source rock maturity-carbon isotope relationships for methane compared to known Neogene source rock maturity-depth relationships in the basin. These calculations indicate that as much as 3500 m of vertical migration has occured in some cases. Isotopically heavy (> − 7 > 0 ) CO 2 is the predominant species present in some shallow reservoirs located on basin-margin structural highs and has probably been derived via long-distance vertical and lateral migration from thermal decompositon of carbonate minerals in Mesozoic and older rocks in the deepest parts of the basin. A few shallow reservoirs (< 2000m) contain isotopically light (−50 to −60% 0 ) methane with only minor amounts of C 2+ homologs (< 3% v/v). This methane is probably mostly microbial in origin. Above-normal pressures, occuring at depths greater than 1800 m, are believed to be the principal driving force for lateral and vertical gas migration. These pressures are caused in part by active hydrocarbon generation, undercompaction, and thermal decomposition of carbonates.

Bekes Basin↗

USGS1991

Oil-generating coals of the San Juan Basin, New Mexico and Colorado, U.S.A.

Coal beds of the Upper Cretaceous Fruitland Formation in the San Juan Basin of northwestern New Mexico and southwestern Colorado have significant liquid hydrocarbon generation potential as indicated by typical Rock-Eval Hydrogen Indexes in the range of 200–400 mg hydrocarbon/g organic carbon (type II and III organic matter). Small, non-commercial quantities of oil have been produced from the coal beds at several locations. The oils are characterized by high pristane/phytane ( ca 4) and pristane/ n -C 17 ratios ( ca 1.2), abundant C 21+ alkanes in the C 10+ fraction with a slight predominance of odd carbon-numbered n -alkanes, abundant branched-chain alkanes in the C 15+ region, and a predominance of methylcyclohexane in the C 4 -C 10 fraction. The oils are indigenous to the Fruitland Formation coals and probably migrated at thermal maturities corresponding to vitrinite reflectance values in the range 0.7–0.8%. Although the oils found to date are not present in commercial amounts, these findings illustrate the potential of some coals to generate and expel oil under conditions of moderate thermal heating.

Colorado, New Mexico↗