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Sample records for alachlor ethane sulfonic

  1. Formation and transport of the sulfonic acid metabolites of alachlor and metolachlor in soil

    USGS Publications Warehouse

    Aga, D.S.; Thurman, E.M.

    2001-01-01

    Alachlor and metolachlor are dechlorinated and transformed into their corresponding ethane sulfonic acid (ESA) metabolites in soil. In a field-disappearance study, it was shown that alachlor ESA was formed at a faster rate and at concentrations 2-4 times higher than metolachlor ESA, conforming with the observed longer disappearance half-life of metolachlor (15.5 d) in the field as compared to alachlor (8 d). Runoff data also showed higher concentrations of alachlor ESA as compared to metolachlor ESA, even though they were applied at the same levels. Data from soil cores showed transport of the ESA compounds in soil to as far down as 75-90 cm below the surface, at concentrations ranging from less than 0.5 ??g/L to about 50 ??g/L. In contrast, no parent herbicide was detected at these depths. This observation correlates with the higher log KOC values for alachlor (3.33) and metolachlor (3.01) relative to their corresponding ESA metabolites, alachlor ESA (2.26), and metolachlor ESA (2.29).

  2. Alachlor

    Integrated Risk Information System (IRIS)

    Alachlor ; CASRN 15972 - 60 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effect

  3. 40 CFR 721.10474 - Substituted amino ethane sulfonic acid salt (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Substituted amino ethane sulfonic acid... Specific Chemical Substances § 721.10474 Substituted amino ethane sulfonic acid salt (generic). (a... generically as substituted amino ethane sulfonic acid salt (PMN P-04-107) is subject to reporting under...

  4. 40 CFR 721.10474 - Substituted amino ethane sulfonic acid salt (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Substituted amino ethane sulfonic acid... Specific Chemical Substances § 721.10474 Substituted amino ethane sulfonic acid salt (generic). (a... generically as substituted amino ethane sulfonic acid salt (PMN P-04-107) is subject to reporting under...

  5. Occurrence of alachlor and its sulfonated metabolite in rivers and reservoirs of the midwestern United States: The importance of sulfonation in the transport of chloroacetanilide herbicides

    USGS Publications Warehouse

    Thurman, E.M.; Goolsby, D.A.; Aga, D.S.; Pomes, M.L.; Meyer, M.T.

    1996-01-01

    Alachlor and its metabolite, 2-[(2',6'-diethylphenyl)- (methoxymethyl)amino]-2-oxoethanesulfonate (ESA), were identified in 76 reservoirs in the midwestern United States using immunoassay, liquid chromatography, and gas chromatography/mass spectrometry. The median concentration of ESA (0.48 ??g/L) exceeded the median concentration of alachlor (<0.05 ??g/L), with highest values in the upper Midwest. ESA also was detected in the Mississippi River from the mouth to the headwaters at concentrations of 0.2-1.5 ??g/L, exceeding the concentration of alachlor. In a field runoff study, alachlor rapidly formed ESA. It is hypothesized that a glutathione conjugate forms, which later oxidizes in soil to ESA. The removal of the chlorine atom lessens the toxicity of the parent compound and increases runoff potential. It is hypothesized further that sulfonic acid metabolites of other chloroacetanilides, including acetochlor, butachlor, metolachlor, and propachlor, also occur in surface water.

  6. Chiral separation of metolachlor ethane sulfonic acid as a groundwater dating tool

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We have studied the hydrologic fate of metolachlor and its two predominant metabolites, metolachlor ethane sulfonic acid (MESA) and metolachlor oxanilic acid, in groundwater and base flows of streams for several years. These two metabolites are excellent markers for groundwater processes related to...

  7. Using chiral identification of metolachlor ethane sulfonic acid as a groundwater dating tool

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We have studied the hydrologic fate of metolachlor and its two predominant metabolites, metolachlor ethane sulfonic acid (MESA) and metolachlor oxanilic acid, in groundwater and base flows of streams for several years. These two metabolites are excellent markers for groundwater processes related to...

  8. HPLC-NMR INVESTIGATION OF THE ISOMERIZATION OF ALACHLOR-ETHANE SULFONIC ACID. (R829008)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  9. Metolachlor and alachlor breakdown product formation patterns in aquatic field mesocosms

    USGS Publications Warehouse

    Graham, W.H.; Graham, D.W.; DeNoyelles, F.; Smith, V.H.; Larive, C.K.; Thurman, E.M.

    1999-01-01

    The transformation of metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)- N-(2-methoxy-1-methyl)ethyl)acetamide] and alachlor [2-chloro-N-(2,6- diethylphenyl)-N-methoxymethyl)acetamide] in aquatic systems was investigated using outdoor tank mesocosms. Metolachlor and alachlor levels and their ethane sulfonic acid (ESA) and oxanillic acid breakdown products were monitored over time under five experimental treatments (each in quadruplicate). Background water conditions were identical in all treatments with each treatment differing based on the level and type(s) of herbicide present. Treatments included a noherbicide control, 10 ??g/L metolachlor, 25 ??g/L metolachlor, 25 ??g/L alachlor, and 25 ??g/L alachlor plus 25 ??g/L metolachlor in combination. The experiment was initiated by adding herbicide(s) to the units to the target concentrations; herbicide and breakdown product levels and other chemical parameters were then monitored for 85 days. In general, metolachlor half-lives were longer than alachlor half-lives under all treatments, although the differences were not statistically significant. Metolachlor half-lives (??95% confidence limits) ranged from 33.0 d (??14.1 d) to 46.2 d (??40.0 d), whereas alachlor half- lives ranged from 18.7 d (??3.5 d) to 21.0 d (??6.5 d) for different treatments. Formation patterns of ESA were similar in all treatments, whereas oxanillic acid formation differed for the two herbicides. Alachlor oxanillic acid was produced in larger quantities than metolachlor oxanillic acid and either ESA under equivalent conditions. Our results suggest that the transformation pathways for alachlor and metolachlor in aquatic systems are similar and resemble the acetochlor pathway in soils proposed by Feng (Pestic. Biochem. Physiol. 1991, 34, 136); however, the oxanillic acid branch of the pathway is favored for alachlor as compared with metolachlor.The transformation of metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)-N- (2-methoxy-1-methylethy

  10. Analysis of metolachlor ethane sulfonic acid chirality in groundwater: A tool for dating groundwater movement in agricultural settings

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Chemical chirality of pesticides can be a useful tool for studying environmental processes. The chiral forms of metolachlor ethane sulfonic acid (MESA), an abundant metabolite of metolachlor, and metolachlor were examined over a 6 year period in groundwater and a groundwater-fed stream in a riparia...

  11. Determination of alachlor and its sulfonic acid metabolite in water by solid-phase extraction and enzyme-linked immunosorbent assay

    USGS Publications Warehouse

    Aga, D.S.; Thurman, E.M.; Pomes, M.L.

    1994-01-01

    Solid-phase extraction (SPE) and enzyme-linked immunosorbent assay (ELISA) were combined for the trace analysis of the herbicide alachlor and its major soil metabolite, ethanesulfonic acid (ESA). The anti-alachlor antibody cross-reacted with ESA, which produced false-positive detections of alachlor in water samples by immunoassay screens. Alachlor and ESA were isolated from water by SPE on a C18 resin and eluted sequentially with ethyl acetate and methanol. Alachlor is soluble in ethyl acetate while the anionic ESA is not. Thus ESA remained adsorbed on the C18 resin and was eluted later with methanol. The combination of SPE with ELISA effectivety separated and quantified both alachlor and ESA using the same antibody for two ELISA methods. The general method may have applicability for the separation of other herbicides and their ionic metabolites. The SPE-ELISA method has a, detection limit of 0.01 ??g/L for alachlor and 0.05 ??g/L for ESA, with a precision of ?? 10%. Analyses of surface and ground water samples were confirmed by gas chromatography/mass spectrometry and high-performance liquid chromatography with photodiode-array detection. Results showed widespread occurrence of ESA in surface and ground water of the midwestern United States, with concentrations ranging from 10 ??g/L.

  12. Alachlor transformation patterns in aquatic field mesocosms under variable oxygen and nutrient conditions

    USGS Publications Warehouse

    Graham, D.W.; Miley, M.K.; Denoyelles, F.; Smith, V.H.; Thurman, E.M.; Carter, R.

    2000-01-01

    Alachlor is one of the most commonly used herbicides in both Europe and North America. Because of its toxic properties, its fate and attenuation in natural waters is practically important. This paper assesses factors that affect alachlor decay rate in aquatic systems using field-scale experimental units. In particular, we used field mesocosms (11.3 m3 outdoor fiberglass tanks) to examine the affect of oxygen level and other factors on decay rate in water columns. This is one of the first studies ever performed where diverse water column conditions have been successfully simulated using common mesocosm-scale facilities. Four treatments were assessed, including aerobic systems (aerobic); low nutrient, oxygen-stratified systems (stratified-LN); moderate nutrient, oxygen-stratified systems (stratified-HN); and anaerobic systems (anaerobic). The lowest half-lives were observed in the anaerobic units (9.7 days) followed by the aerobic (21 days), stratified-HN (22 days), and stratified-LN (46 days) units. Our results indicate that alachlor is transformed most rapidly under anaerobic conditions, although the ambient phosphorus level also appears to influence decay rate. In this study, two common alachlor breakdown products, ethane sulfonic acid (ESA) and oxanilic acid, were also monitored. Oxanilic acid was produced in greater quantities than ESA under all treatments with the highest levels being produced in the stratified-HN units. In general, our results suggest that previous laboratory data, which indicated that high rates of alachlor decay can occur under oxygen-free methanogenic conditions, is translatable to field-scale applications. Copyright (C) 2000 Elsevier Science Ltd.Alachlor is one of the most commonly used herbicides in both Europe and North America. Because of its toxic properties, its fate and attenuation in natural waters is practically important. This paper assesses factors that affect alachlor decay rate in aquatic systems using field-scale experimental

  13. Volatilization of alachlor from polymeric formulations.

    PubMed

    Dailey, Oliver D

    2004-11-01

    Pesticides may be dispersed throughout the environment by several means, including groundwater contamination, surface water contamination, and volatilization with subsequent atmospheric transport and deposition. In earlier research primarily directed at reducing the potential for groundwater contamination, a number of herbicides were microencapsulated within several different polymers. These polymeric formulations were evaluated for efficacy in the greenhouse. In the studies described in this paper, three polymeric alachlor formulations that were the most effective in the greenhouse were evaluated in laboratory volatility studies using pure alachlor and a commercial formulation (Lasso 4EC) for comparison purposes. In a given experiment, technical alachlor, Lasso 4EC, and two polymeric formulations were applied to soil and evaluated in a contained system under 53% humidity with a fixed flow rate. Evolved alachlor was collected in ethylene glycol, recovered with C18 solid phase extraction cartridges, and analyzed by reverse-phase high-performance thin-layer chromatography with densitometry. Duration of the studies ranged from 32 to 39 days. In studies in which all formulations were uniformly incorporated in the soil, total alachlor volatilization from the polymeric microcapsules was consistently lower than that from the alachlor and Lasso 4EC formulations. In studies in which the polymeric formulations were sprinkled on the surface of the soil, microcapsules prepared with the polymer cellulose acetate butyrate released the smallest quantity of volatilized alachlor.

  14. N,N′-Bis(2-amino­benz­yl)ethane-1,2-diaminium bis­(4-methyl­benzene­sulfonate)

    PubMed Central

    Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca; Rodríguez de Luna, Sara L.

    2011-01-01

    The title salt, C16H24N4 2+·2C7H7O3S−, crystallizes with the dication situated on an inversion center and the anion in a general position. The cation contains two ammonium and two free amine groups, and the observed conformation for the chain linking the benzene rings is different from that found in the free tetra­amine and in the fully protonated tetra­amine. All amine and ammonium H atoms of the cation form hydrogen bonds with eight symmetry-related anions, using the sulfonate O atoms as acceptors. This arrangement for the ions precludes any π–π contacts between benzene rings in the crystal. PMID:22199748

  15. DNA adduct formation by alachlor metabolites

    SciTech Connect

    Brown, M.A.; Kimmel, E.C.; Casida, J.E.

    1988-01-01

    The extent of DNA adduct formation by alachlor (ArN(CH/sub 2/OCH/sub 3/)C(O)CH/sub 2/Cl wherein Ar is 2,6-diethylphenyl) and its metabolites is used as a guide to deduce the causal agent(s) in the carcinogenicity of this major herbicide. (/sup 14/C-phenyl)Alachlor is compared to its two metabolic cleavage products, (/sup 14/C-phenyl) 2-chloro-N-(2,6-diethylphenyl)acetamide (CDEPA) (ArNHC(O)CH/sub 2/Cl) and (/sup 14/C-phenyl)2,6-diethylaniline (DEA) (ArNH/sub 2/), and to (/sup 14/C-methoxy)alachlor in various in vitro and in vivo systems. Horseradish peroxidase and hydrogen peroxide activate DEA, but not CEDPA or alachlor, for formation of adducts with calf thymus DNA, which probably involves 2,6-diethylnitrosobenzene (ArNO) as an intermediate. Mouse liver microsomes and NADPH are both required to enhance the binding from each labeled preparation to calf thymus DNA; 4-fold higher labeling is observed from (/sup 14/C-methoxy)- than from (/sup 14/C-phenyl)alachlor. This 4-fold preferential DNA labeling from the /sup 14/C-methoxy compound is likewise found in the liver of mice treated intraperitoneally. Mouse liver protein and hemoglobin are also labeled, in vivo, with (/sup 14/C-phenyl)alachlor, -CDEPA and -DEA, and, as with the DNA, the labeling of these proteins is 1.5- to 2-fold higher with (/sup 14/C-methoxy)alachlor.

  16. Development of controlled release formulations of alachlor in ethylcellulose.

    PubMed

    Fernandez-Urrusuno, R; Gines, J M; Morillo, E

    2000-01-01

    The herbicide alachlor (2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-acetamide) is frequently implicated in groundwater contamination. Microencapsulated alachlor should have reduced potential for leaching in the soil while maintaining effective biological activity. Microspheres of alachlor were prepared using ethylcellulose, according to the solvent evaporation method. The influence of formulation variables affecting the release rate of pesticide, such as the molecular weight of ethylcellulose, the amount of emulsifying agent, the pesticide/polymer ratio and the particle size, were investigated. The results showed that microspheres retarded the release of alachlor in different degrees. Pesticide/polymer ratio and particle size were the more important factors determining the alachlor release. Ethylcellulose microspheres may prove useful for the prolonged release of alachlor.

  17. Progression of alachlor-induced olfactory mucosal tumours

    PubMed Central

    Genter, Mary Beth; Burman, Dawn M; Bolon, Brad

    2002-01-01

    Alachlor is an herbicide used primarily in the production of corn (maize), peanuts, and soybeans and is associated with cancer of the nasal cavity, thyroid, and stomach in rats. Previous work from our laboratory demonstrated that the nasal cavity tumours originate from the olfactory mucosa, and that neoplasms were present following 6 months of exposure (126 mg/kg/day in the diet). The studies presented herein were conducted to determine more precisely the earliest time point at which alachlor-induced tumours were present, and to describe the histological changes that occur en route to tumour formation. We determined that dramatic histological changes, including respiratory metaplasia of the olfactory mucosa, were present following 3 months of exposure, and the earliest alachlor-induced olfactory mucosal tumours were detected following 5 months of treatment. Because alachlor is positive in short-term mutagenicity assays with olfactory mucosal activation, and because of the relatively short time-to-tumour formation observed with alachlor, we also conducted a ‘stop’ study in which rats were treated with alachlor for 1 month and then held without further treatment for an additional 5 months. This study demonstrated that abbreviated alachlor exposure did not result in subsequent tumour formation within the 6-month observation period. PMID:12657139

  18. Nuclear Magnetic Resonance Identification of New Sulfonic Acid Metabolites of Chloroacetanilide Herbicides

    USGS Publications Warehouse

    Morton, M.D.; Walters, F.H.; Aga, D.S.; Thurman, E.M.; Larive, C.K.

    1997-01-01

    The detection of the sulfonic acid metabolites of the chloroacetanilide herbicides acetochlor, alachlor, butachlor, propachlor, and, more recently, metolachlor in surface and ground water suggests that a common mechanism for dechlorination exists via the glutathione conjugation pathway. The identification of these herbicides and their metabolites is important due to growing public awareness and concern about pesticide levels in drinking water. Although these herbicides are regulated, little is known about the fate of their metabolites in soil. The sulfonic acid metabolites were synthesized by reaction of the parent compounds with an excess of sodium sulfite. Acetochlor, alachlor, butachlor, metolachlor, and propachlor and their sulfonic acid metabolites were studied by nuclear magnetic resonance spectroscopy and fast atom bombardment mass spectrometry. This paper provides a direct method for the preparation and characterization of these compounds that will be useful in the analysis and study of chloracetanilide herbicides and their metabolites.

  19. Environmental fate of alachlor and metolachlor.

    PubMed

    Chesters, G; Simsiman, G V; Levy, J; Alhajjar, B J; Fathulla, R N; Harkin, J M

    1989-01-01

    Decision-makers, scientists, and the interested public should be informed what future research and education is needed if a strong pesticide regulatory program is imposed. Recommendations are intended to highlight research gaps. Some may be of general concern and apply to many pesticides. A situation that calls into question the value of many of our management decisions, is the lack of good field-scale experimentation and of logical mechanisms for translating and extrapolating laboratory data to field-scale dimensions. Many experiments were not designed to allow application of basic statistical criteria. High costs often preclude sufficient replication in field-scale experiments so that researchers must make the "no-win" choice between doing one investigation well or doing two or three poorly. The following observations about alachlor and metolachlor are provided: Pysicochemical properties are accurately determined. The herbicides' modes of action and plant selectivity have received a great deal of attention, but gaps remain in defining which of three modes of action are most important. Geographic distribution and extent of residue contamination of surface waters is documented, but groundwater contamination is poorly defined. Any groundwater monitoring protocol should limit the investigation based on sound scientific judgment since a nationwide monitoring network cannot be economically justified. Enough data are needed, however, to allow mathematical model development, verification and validation for a diversity of soil, geographic, climatic, and agricultural management conditions. In view of the importance of adsorption in determining the fate of pesticides, improved methods of determining adsorption coefficients (KD) are needed particularly for very low concentrations. The impact of soil aggregation on adsorption/desorption needs to be examined. The role of temperature and water content in adsorption/desorption processes needs clearer definition. Although

  20. Evaluation of mortality and cancer incidence among alachlor manufacturing workers.

    PubMed Central

    Acquavella, J F; Riordan, S G; Anne, M; Lynch, C F; Collins, J J; Ireland, B K; Heydens, W F

    1996-01-01

    Alachlor is the active ingredient in a family of preemergence herbicides. We assessed mortality rates from 1968 to 1993 and cancer incidence rates from 1969 to 1993 for manufacturing workers with potential alachlor exposure. For workers judged to have high alachlor exposure, mortality from all causes combined was lower than expected [23 observed, standardized mortality ratio (SMR) = 0.7, 95% CI, 0.4-1.0], cancer mortality was similar to expected (6 observed, SMR = 0.7, 95% CI, 0.3-1.6), and there were no cancer deaths among workers with 5 or more years high exposure and 15 or more years since first exposure (2.3 expected, SMR = 0, 95% CI, 0-1.6). Cancer incidence for workers with high exposure potential was similar to the state rate [18 observed, standardized incidence ratio (SIR) = 1.2, 95% CI, 0.7-2.0], especially for workers exposed for 5 or more years and with at least 15 years since first exposure (4 observed, SIR = 1.0, 95% CI, 0.3-2.7). The most common cancer for these latter workers was colorectal cancer (2 observed, SIR 3.9, 95% CI, 0.5-14.2 among workers). Despite the limitations of this study with respect to small size and exposure estimating, the findings are useful for evaluating potential alachlor-related health risks because past manufacturing exposures greatly exceeded those characteristic of agricultural operations. These findings suggest no appreciable effect of alachlor exposure on worker mortality or cancer incidence rates during the study period. PMID:8841758

  1. Aldicarb sulfone

    Integrated Risk Information System (IRIS)

    Aldicarb sulfone ; CASRN 1646 - 88 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic

  2. An evaluation of the feasibility of using cytogenetic damage as a biomarker for alachlor exposure.

    PubMed

    Kligerman, A D; Erexson, G L

    1999-04-26

    Alachlor is a widely used herbicide for which there is significant human exposure, principally through groundwater contamination and inhalation. Because alachlor is purported to be carcinogenic and mutagenic, we initiated studies to determine if induced cytogenetic damage could be used as a biomarker for exposure to this herbicide. Both isolated and whole blood human lymphocytes were exposed to alachlor using several protocols. The lymphocytes were cultured for analysis of sister chromatid exchange (SCE), chromosome aberrations (CAs), micronuclei (MN) in cytochalasin B-induced binucleated cells, and proliferation kinetics using the replicative index (RI). In addition, CD rats were injected with either 10 or 50 mg kg-1 of alachlor, 2-chloro-N-(2,6-diethylphenyl) acetamide (CDEPA) or 2, 6-diethylanaline (DEA). After 24 h, the peripheral blood lymphocytes were removed and cultured for SCE and RI analysis. Alachlor did induce a concentration-related increase in SCE in vitro, but neither it nor its metabolites (CDEPA or DEA) induced a significant increase in SCEs or an alteration of RI in vivo. At the highest in vitro concentration tested, alachlor induced a statistically-significant increase in MN, but no concomitant increase in CAs was seen. From analyses of our data and the literature on alachlor clastogenicity and exposure levels, we concluded that cytogenetic damage may not be an adequately sensitive marker for evaluating human exposure to alachlor.

  3. KINETICS OF ALACHLOR TRANSFORMATION AND IDENTIFICATION OF METABOLITES UNDER ANAEROBIC CONDITIONS. (R825549C037)

    EPA Science Inventory

    Alachlor is one of the two most commonly used herbicides in the United States. In the environment, little mineralization of this compound has been found to occur, and metabolites of alachlor may be formed and could accumulate. The objectives of this study were to determine the...

  4. Mechanism study of alachlor biodegradation by Paecilomyces marquandii with proteomic and metabolomic methods.

    PubMed

    Szewczyk, Rafał; Soboń, Adrian; Słaba, Mirosława; Długoński, Jerzy

    2015-06-30

    Alachlor is an herbicide that is widely used worldwide to protect plant crops against broadleaf weeds and annual grasses. However, due to its endocrine-disrupting activity, its application had been banned in the European Union. As described in our earlier work, Paecilomyces marquandii is a microscopic fungus capable of alachlor removal by N-acetyl oxidation. Our current work uses proteomics and metabolomics to gain a better understanding of alachlor biodegradation by the microscopic fungus P. marquandii. The data revealed that the addition of alachlor reduced the culture growth and glucose consumption rates. Moreover, the rates of glycolysis and the tricarboxylic acids (TCA) cycle increased during the initial stage of growth, and there was a shift toward the formation of supplementary materials (UDP-glucose/galactose) and reactive oxygen species (ROS) scavengers (ascorbate). Proteomic analysis revealed that the presence of xenobiotics resulted in a strong upregulation of enzymes related to energy, sugar metabolism and ROS production. However, the unique overexpression of cyanide hydratase in alachlor-containing cultures may implicate this enzyme as the key protein involved in the alachlor biodegradation pathway. The characterization of P. marquandii-mediated alachlor removal in terms of cell structure and function provides a deeper insight into the strategies of microorganisms toward xenobiotic biodegradation. PMID:25765177

  5. Mechanism study of alachlor biodegradation by Paecilomyces marquandii with proteomic and metabolomic methods.

    PubMed

    Szewczyk, Rafał; Soboń, Adrian; Słaba, Mirosława; Długoński, Jerzy

    2015-06-30

    Alachlor is an herbicide that is widely used worldwide to protect plant crops against broadleaf weeds and annual grasses. However, due to its endocrine-disrupting activity, its application had been banned in the European Union. As described in our earlier work, Paecilomyces marquandii is a microscopic fungus capable of alachlor removal by N-acetyl oxidation. Our current work uses proteomics and metabolomics to gain a better understanding of alachlor biodegradation by the microscopic fungus P. marquandii. The data revealed that the addition of alachlor reduced the culture growth and glucose consumption rates. Moreover, the rates of glycolysis and the tricarboxylic acids (TCA) cycle increased during the initial stage of growth, and there was a shift toward the formation of supplementary materials (UDP-glucose/galactose) and reactive oxygen species (ROS) scavengers (ascorbate). Proteomic analysis revealed that the presence of xenobiotics resulted in a strong upregulation of enzymes related to energy, sugar metabolism and ROS production. However, the unique overexpression of cyanide hydratase in alachlor-containing cultures may implicate this enzyme as the key protein involved in the alachlor biodegradation pathway. The characterization of P. marquandii-mediated alachlor removal in terms of cell structure and function provides a deeper insight into the strategies of microorganisms toward xenobiotic biodegradation.

  6. The influence of alachlor, trifluralin, and diazinon on the development of endogenous mycorrhizae in soybeans.

    PubMed

    Burpee, L L; Cole, H

    1978-02-01

    Preplant incorporated treatments of 2 and 4 kg/ha of trifluralin and diazinon had no significant effect on growth, P accumulation or root colonization by mycorrhizal fungi in soybeans planted in an Andover clay loam. At 4 kg/ha, alachlor and trifluralin inhibited root development of 25 day-old plants. The 4 kg/ha alachlor treatment reduced shoot weight of 25 day old plants significantly and suppressed mycorrhizal development of 25 to 60 day old plants. At currently used commercial rates neither alachlor, trifluralin, nor diazinon affected mycorrhizal development under the conditions of the experiment.

  7. ANALYTICAL METHOD DEVELOPMENT FOR ALACHLOR ESA AND OTHER ACETANILIDE HERBICIDE DEGRADATION PRODUCTS

    EPA Science Inventory

    In 1998, USEPA published a Drinking Water Contaminant Candidate List (CCL) of 50 chemicals and 10 microorganisms. "Alachlor ESA and other acetanilide herbicide degradation products" is listed on the the 1998 CCL. Acetanilide degradation products are generally more water soluble...

  8. Atmospheric chemistry: The return of ethane

    NASA Astrophysics Data System (ADS)

    Hakola, Hannele; Hellén, Heidi

    2016-07-01

    Ethane emissions can lead to ozone pollution. Measurements at 49 sites show that long-declining atmospheric ethane concentrations started rising in 2010 in the Northern Hemisphere, largely due to greater oil and gas production in the USA.

  9. Degradation of alachlor using an enhanced sono-Fenton process with efficient Fenton's reagent dosages.

    PubMed

    Wang, Chikang; Liu, Zonghan

    2015-01-01

    In this study, an enhanced sono-Fenton process for the degradation of alachlor is presented. At high ultrasonic power, low pH, and in the presence of adequate Fenton's reagent dosages, alachlor degradation can reach nearly 100%. The toxicity of treated alachlor wastewater, which was measured by changes in cell viability, slightly decreased after the Fenton or ultrasound/H2O2 process and significantly decreased after the enhanced sono-Fenton process. A satisfactory relationship was observed between the total organic carbon removal and cell viability increment, indicating that alachlor mineralization is a key step in reducing the toxicity of the solution. The formation of alachlor degradation byproducts was observed during the oxidation process, in which the first step was the substitution of a chloride by a hydroxyl group. In conclusion, the enhanced sono-Fenton process was effective in the degradation and detoxification of alachlor within a short reaction time. Thus, the treated wastewater can then be passed through a biological treatment unit for further treatment.

  10. Ethylcellulose formulations for controlled release of the herbicide alachlor in a sandy soil.

    PubMed

    Sopeña, Fátima; Cabrera, Alegría; Maqueda, Celia; Morillo, Esmeralda

    2007-10-01

    The development of controlled-release formulations of alachlor to diminish its leaching in sandy soils, avoiding groundwater contamination and maintaining its efficacy, was studied. For this purpose, ethylcellulose (EC) microencapsulated formulations (MEFs) of alachlor were prepared under different conditions and applied to soil columns to study their mobility. The results show that in all cases the release into water of alachlor from MEFs was retarded when compared with commercial formulation. Total leaching losses in soil columns were reduced to 59% from 98%. The mobility of alachlor from EC microspheres into soil columns has been greatly diminished in comparison with its current commercial formulation (CF), above all with increasing EC/herbicide ratios. Distribution of alachlor applied as MEFs at different depths in the soil was higher in the soil surface (66.3-81.3% of herbicide applied at the first 12 cm). In contrast, the residues from CF along the complete soil column were only 20.4%. From the results of bioassays, MEFs showed a higher efficacy than CF at 30 days after the treatment. The use of ME formulations could provide an advantage in minimizing the risk of groundwater contamination by alachlor and reducing the application rates, as a result of maintaining the desired concentration of the herbicide in the top soil layer, obtaining longer periods of weed control.

  11. Atrazine, alachlor, and cyanazine in a large agricultural river system

    USGS Publications Warehouse

    Schottler, S.P.; Eisenreich, Steven J.; Capel, P.D.

    1994-01-01

    Atrazine, alachlor, and cyanazine exhibited maximum concentrations of about 1000-6000 ng/L in the Minnesota River in 1990 and 1991, resulting from precipitation and runoff following the application period. Transport of these herbicides to the river occurs via overland flow or by infiltration to tile drainage networks. Suspended sediment, SO42-, and Cl- concentrations were used as indicators of transport mechanisms. The atrazine metabolite, DEA, was present in the river throughout the year. The ratio of DEA to atrazine concentration was used to calculate an apparent first-order soil conversion rate of atrazine to DEA. Half lives of 21-58 d were calculated for 1990 and 1991, respectively. The longer conversion rate in 1991 results from rapid flushing from the soil and minimum exposure to soil microorganisms. Total flux of herbicide to the river was 1-6.5 t, with over 60% of this loading occurring during the month of June. Loading to the river accounts for less than 1.5% of applied herbicide. ?? 1994 American Chemical Society.

  12. Field-scale mobility and persistence of commercial and stargh-encapusulated atrazine and alachlor

    SciTech Connect

    Gish, T.J.; Shirmohammadi, A.; Wienhold, B.J.

    1994-03-01

    Recent laboratory studies have shown that starch-encapsulation (SE) may reduce leachate losses of certain pesticides. This study compares field-scale mobility and persistence of SE-atrazine [2-chloro-4-ethylamino-6-isopropylamino-s-triazine] and alachlor [2-chloro-N(2,6 diethylphenyl)-N-(methoxymethyl)acetamide] to that of a commerciall formulation (CF) of atrazine and alachlor. The research site consisted of four (0.25 ha) fields. Two fields were under no-tillage management (NT) and two were under conventional tillage (CT). One field in each tillage system received SE-formulated atritzine and alachlor, while the others received CF-atrazine and alachlor. Chemical movement and persistence was determined by analysis of surface samples ({approximately}3 cm) taken immediately after application and 1.1-m soil cores collected seven times over 2 yr. No significant difference in herbicide residue levels was observed between NT and CT, but there was a herbicide formulation effect. Soil residue analysis suggests that SE-atrazine was more persistent and less mobile than CF-atrazine. Starch- encapsulated-alachlor was slightly more persistent than CF-alachlor, but no differences in mobility between formulations was observed. The differential field behavior between SE-herbicides is attributed to the faster release of alachlor from the starch granules. Increased atrazine persistence was attributed to the reduction of leachate losses. The reduction in atrazine leaching is likely due to the slow release from the starch granules and subsequent diffusion into the son matrix where it is less subject to preferential flow processes. 20 refs., 6 figs., 1 tab.

  13. Henry's law constants measurements of alachlor and dichlorvos between 283 and 298 K

    NASA Astrophysics Data System (ADS)

    Gautier, Céline; Le Calvé, Stéphane; Mirabel, Philippe

    In this work, a dynamic system based on the water/air equilibrium at the interface within the length of a microporous tube was used to determine experimentally the Henry's law constants (HLC) of two pesticides: alachlor and dichlorvos. The measurements were conducted over the range 283-298 K. At 298 K, HLC were found to be equal to HLC=(14±2)×10 3 and HLC=(4.0±0.6)×10 3 (in units of M atm -1) for alachlor and dichlorvos, respectively. The obtained data were use to derive the following Arrhenius expressions: HLC=(8.0±3.4)×10 -10 exp((9200±1600)/ T) for alachlor and HLC=(2.8±0.4)×10 -13 exp((11 100±1500)/ T) for dichlorvos. At a cumulus temperature of 283 K, the fraction of alachlor and dichlorvos in the atmospheric aqueous phase is about 45% and 22%, respectively. Assuming that annual rainfall rate is 1 m/year, the wet deposition lifetimes were then estimated to be of the order of 2.8 days for alachlor and 5.6 days for dichlorvos. These latter are used to compare the relative importance of wet removal towards the lifetime in the gas phase.

  14. Removal of alachlor from water by catalyzed ozonation on Cu/Al2O3 honeycomb

    PubMed Central

    2013-01-01

    Background The herbicide alachlor (2-chloro-2′6′-diethyl-N-methoxymethylacetanilide) has been known as a probable human carcinogen, and the MCL (minimum contamination level) for drinking water has been set at 2 μg L-1. Therefore, the advanced methods for effectively removing it from water are a matter of interest. Catalyzed ozonation is a promising method for refractory organics degradation. Cu/Al2O3 catalyzed ozonation for degrading an endocrine disruptor (alachlor) in water was investigated. Results Experimental results showed that the ozonation of alachlor can be effectively catalyzed and enhanced by Cu/Al2O3-honeycomb. The main intermediate products formed (aliphatic carboxylic acids) were mineralized to a large extent in the catalytic process. Conclusions This study has shown that Cu/Al2O3-honeycomb is a feasible and efficient catalyst in the ozonation of alachlor in water. Less intermediate oxidation product was produced in the catalytic process than in the uncatalytic one. Furthermore, the mineralization of alachlor could be enhanced by increasing the pH of the reaction solution. PMID:23977841

  15. Biodegradation and mineralization of metolachlor and alachlor by Candida xestobii.

    PubMed

    Munoz, Ana; Koskinen, William C; Cox, Lucía; Sadowsky, Michael J

    2011-01-26

    Metolachlor (2-chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)aceto-o-toluidide) is a pre-emergent chloroacetanilide herbicide used to control broadleaf and annual grassy weeds in a variety of crops. The S enantiomer, S-metolachlor, is the most effective form for weed control. Although the degradation of metolachlor in soils is thought to occur primarily by microbial activity, little is known about the microorganisms that carry out this process and the mechanisms by which this occurs. This study examined a silty-clay soil (a Luvisol) from Spain, with 10 and 2 year histories of metolachlor and S-metolachlor applications, respectively, for microorganisms that had the ability to degrade this herbicide. Tis paper reports the isolation and characterization of pure cultures of Candida xestobii and Bacillus simplex that have the ability to use metolachlor as a sole source of carbon for growth. Species assignment was confirmed by morphological and biochemical criteria and by sequence analysis of 18S and 16S rRNA, respectively. High-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry (LC-MS) analyses indicated that C. xestobii degraded 60% of the added metolachlor after 4 days of growth and converted up to 25% of the compound into CO(2) after 10 days. In contrast, B. simplex biodegraded 30% of metolachlor following 5 days of growth in minimal medium. In contrast, moreover, the yeast degraded other acetanilide compounds and 80% of acetochlor (2-chloro-N-ethoxymethyl-6'-ethylaceto-o-toluidide) and alachlor (2-chloro-2',6'-diethyl-N-methoxymethylacetanilide) were degraded after 15 and 41 h of growth, respectively. The results of these studies indicate that microorganisms comprising two main branches of the tree of life have acquired the ability to degrade the same novel chlorinated herbicide that has been recently added to the biosphere. PMID:21190381

  16. Cytogenetic effects of alachlor and/or atrazine in vivo and in vitro

    SciTech Connect

    Meisner, L.F.; Roloff, B.D. ); Belluck, D.A. )

    1992-01-01

    The purpose of this study was to assess the cytogenetic effects of two commonly used herbicides, alachlor and atrazine, which are often found together in groundwater. Chromosome damage was examined in bone marrow cells of mice drinking water containing 20 ppm alachlor and/or 20 ppm atrazine, with an immunosuppressive dose of cyclophosphamide used as a positive control. Chromosome damage was also quantified in human lymphocytes. The in vitro study demonstrated dose related cytogenetic damage not associated with mitotic inhibition or cell death, with damage due to the alachlor-atrazine combination suggesting an additive model. The fact that the elevated mitotic index was associated with immune suppresion in the cyclophosphamide group suggests that death of cells with accumulated chromosomal aberrations resulted in increased bone marrow proliferation, so a higher fraction of cells examined were newer with less damage.

  17. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- -1,2-ethanediyl] bis(oxy)]bis-, bis(4-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy]...

  18. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- -1,2-ethanediyl] bis(oxy)]bis-, bis(4-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy]...

  19. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²- -1,2-ethanediyl] bis(oxy)]bis-, bis(4-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy]...

  20. Degradation of alachlor and pyrimethanil by combined photo-Fenton and biological oxidation.

    PubMed

    Ballesteros Martín, M M; Sánchez Pérez, J A; García Sánchez, J L; Montes de Oca, L; Casas López, J L; Oller, I; Malato Rodríguez, S

    2008-06-30

    Biodegradability of aqueous solutions of the herbicide alachlor and the fungicide pyrimethanil, partly treated by photo-Fenton, and the effect of photoreaction intermediates on growth and DOC removal kinetics of the bacteria Pseudomonas putida CECT 324 are demonstrated. Toxicity of 30-120 mg L(-1) alachlor and pyrimethanil has been assayed in P. putida. The biodegradability of photocatalytic intermediates found at different photo-treatment times was evaluated for each pesticide. At a selected time during batch-mode phototreatment, larger-scale biodegradation kinetics were analysed in a 12 L bubble column bioreactor. Both alachlor and pyrimethanil are non-toxic for P. putida CECT 324 at the test concentrations, but they are not biodegradable. A approximately 100 min photo-Fenton pre-treatment was enough to enhance biodegradability, the biological oxidation response being dependent on the pesticide tested. The different alachlor and pyrimethanil respiration and carbon uptake rates in pre-treated solutions are related to change in the growth kinetics of P. putida. Reproducible results have shown that P. putida could be a suitable microorganism for determining photo-Fenton pre-treatment time. PMID:18162295

  1. Erythema multiforme major due to occupational exposure to the herbicides alachlor and butachlor.

    PubMed

    Kim, Hoon; Min, JinHong; Park, JungSoo; Lee, SukWoo; Lee, JiYeonn

    2011-02-01

    Alachlor and butachlor are commonly used chloroacetanilide herbicides. They are cytotoxic, but there have been rare reported cases of alachlor or butachlor induced erythema multiforme major. We report the case of a 38-year-old farmer with erythema multiforme major due to the occupational exposure to alachlor/butachlor. The patient presented to the ED because of itching. Confluent erythematous to violaceous maculopatches with bullae and erosions were seen on the trunk, both upper extremities and both lower extremities. He had no relevant past or family history of a similar skin disease. He had used alachlor/butachlor for 3 days before he developed the itch. We performed a skin incisional biopsy and found diffuse hydropic degeneration with many necrotic keratinocytes in the epidermis and mild to moderate superficial perivascular lymphocytic infiltrate admixed with neutrophils and eosinophils in the upper dermis. These results confirmed the diagnosis of erythema multiforme major. The patient was admitted and received systemic and topical steroids. After 18 days, most lesions had healed, and he was discharged.

  2. Environmentally friendly formulations of alachlor and atrazine: preparation, characterization, and reduced leaching.

    PubMed

    Sánchez-Verdejo, Trinidad; Undabeytia, Tomás; Nir, Shlomo; Villaverde, Jaime; Maqueda, Celia; Morillo, Esmeralda

    2008-11-12

    Atrazine and alachlor formulations were designed by encapsulating the herbicide molecules into phosphatidylcholine (PC) vesicles, which subsequently were adsorbed on montmorillonite. PC and montmorillonite are classified as substances of minimal toxicological risk by the U.S. EPA. PC enhanced alachlor and atrazine solubilities by 15- and 18-fold, respectively. A 6 mM PC:5 g/L clay ratio was found as optimal for PC adsorption on the clay. Active ingredient contents of the PC-clay formulations ranged up to 8.6% for atrazine and 39.5% for alachlor. Infrared spectroscopy showed hydrophobic interactions of herbicide molecules with the alkyl chains of PC, in addition to hydrophilic interactions with the PC headgroup. Release experiments in a sandy soil showed a slower rate from the PC-clay formulations than the commercial ones. Soil column experiments under moderate irrigation and bioactivity experiments indicate that a reduction in the recommended dose of alachlor and atrazine can be accomplished by using PC-clay formulations.

  3. METHOD DEVELOPMENT FOR ALACHLOR ESA AND OTHER ACENTANILIDE HERBICIDE DEGRADATION PRODUCTS

    EPA Science Inventory

    Introduction: Acetanilide herbicides are frequently applied in the U.S. on crops (corn, soybeans, popcorn, etc.) to control broadleaf and annual weeds. The acetanilide and acetamide herbicides currently registered for use in the U.S. are alachlor, acetochlor, metolachlor, propa...

  4. Influence of degradation and sorption processes on the persistence and movement of alachlor and dicamba in soils

    SciTech Connect

    Yen, P.Y.

    1992-01-01

    The impact of herbicide usage in agriculture on ground water quality is controlled by the interaction of herbicide degradation, sorption, and transport processes as the herbicide moves through the soil to ground water. The objectives of this thesis were to determine the influence of degradation and sorption processes on the fate of a non-ionic (alachlor) and a weak acid (dicamba) herbicide in four soils (Kim loam, Port Byron silt loam, Webster silty clay loam, and Estherville sandy loam) as a function of soil depth. Alachlor dissipated rapidly under field conditions in Kim soil. Although laboratory studied underestimated the rate of alachlor degradation compared to field conditions, they showed that microbial degradation rather than leaching below sampling depth was the major dissipation pathway of alachlor in soil. Laboratory studies are showed that soils obtained from lower depths had capacities to degrade alachlor, however, at slower rates than surface soils. Sorption of alachlor to soils was moderate (Freundlich sorption coefficient, K[sub f] = 0.7 to 7.3). Movement of alachlor in Kim soil under field conditions was overestimated by leachability indices calculated based on laboratory degradation and sorption studies. Leachability indices would classify alachlor as a [open quotes]leacher[close quotes] in Kim, Port Byron and Estherville soils. In the case of Webster soil, alachlor would be classified as transitional between a [open quotes]leacher[close quotes] and [open quotes]nonleacher[close quotes]. Field dissipation experiments are currently being conducted to evaluate potential leachability of dicamba in the three Minnesota soils. Laboratory studies showed that degradation of dicamba in the four soils was slow (50% dissipation time, DT[sub 50] > 70 days) due to a long lag phase. Soils below 15 cm depth demonstrated slower dicamba degradation capacities than the surface soils. Sorption of dicamba to these soils was minimal (K[sub f] = 0.004 to 0.50).

  5. Liquid Ethane and Methane on Titan

    NASA Astrophysics Data System (ADS)

    Clark, Roger Nelson; Curchin, J.; Brown, R. H.; Barnes, J. W.; Jaumann, R.; Soderblom, L.; Cruikshank, D. P.; Lunine, J.; Stephan, K.; Hoefen, T. H.; Le Mouelic, S.; Sotin, C.; Baines, K.; Buratti, B.; Nicholson, P.

    2008-09-01

    Absorption coefficients for liquid methane and ethane were derived in a 1-bar nitrogen atmosphere at 90K. Ethane and methane were condensed in an aluminum sample cup, and a 2-way transmission spectrum was measured. Different path lengths up to 14 mm allowed a wide range of absorption coefficients to be measured, and covered the range needed to compare to spectra of Titan in the 1- to 5-micron atmospheric windows. The data were used to compute possible liquid absorption in spectra from the Cassini Visual and Infrared Mapping Spectrometer (VIMS) and were compared to global VIMS data for Titan. The laboratory data show that both liquid methane and ethane have a strong absorption band near 4.97 microns that is detectable by VIMS. A liquid lake thickness of 3 mm (6 mm path length) would result in an absorption band depth of about 65% for methane and 85% for ethane. Ethane has a 2.02-micron absorption with a strength similar to the 4.97-micron absorption, and methane has an absorption that is 10x weaker. Continuum absorption would result in the following surface reflectance levels (at VIMS wavelengths and resolution). Examining VIMS Titan data, we find that for most of the surface, we detect no liquid methane or ethane. In a few locations VIMS data indicate liquid methane or ethane, but at less than about 1-mm total path length.

  6. Sulfonated polyphenylene polymers

    DOEpatents

    Cornelius, Christopher J.; Fujimoto, Cy H.; Hickner, Michael A.

    2007-11-27

    Improved sulfonated polyphenylene compositions, improved polymer electrolyte membranes and nanocomposites formed there from for use in fuel cells are described herein. The improved compositions, membranes and nanocomposites formed there from overcome limitations of Nafion.RTM. membranes.

  7. Sodium Polystyrene Sulfonate

    MedlinePlus

    ... is used to treat hyperkalemia (increased amounts of potassium in the body). Sodium polystyrene sulfonate is in a class of medications called potassium-removing agents. It works by removing excess potassium ...

  8. Measurements of ethane in Antarctic ice cores

    NASA Astrophysics Data System (ADS)

    Verhulst, K. R.; Fosse, E. K.; Aydin, K. M.; Saltzman, E. S.

    2011-12-01

    Ethane is one of the most abundant hydrocarbons in the atmosphere. The major ethane sources are fossil fuel production and use, biofuel combustion, and biomass-burning emissions and the primary loss pathway is via reaction with OH. A paleoatmospheric ethane record would be useful as a tracer of biomass-burning emissions, providing a constraint on past changes in atmospheric methane and methane isotopes. An independent biomass-burning tracer would improve our understanding of the relationship between biomass burning and climate. The mean annual atmospheric ethane level at high southern latitudes is about 230 parts per trillion (ppt), and Antarctic firn air measurements suggest that atmospheric ethane levels in the early 20th century were considerably lower (Aydin et al., 2011). In this study, we present preliminary measurements of ethane (C2H6) in Antarctic ice core samples with gas ages ranging from 0-1900 C.E. Samples were obtained from dry-drilled ice cores from South Pole and Vostok in East Antarctica, and from the West Antarctic Ice Sheet Divide (WAIS-D). Gases were extracted from the ice by melting under vacuum in a glass vessel sealed by indium wire and were analyzed using high resolution GC/MS with isotope dilution. Ethane levels measured in ice core samples were in the range 100-220 ppt, with a mean of 157 ± 45 ppt (n=12). System blanks contribute roughly half the amount of ethane extracted from a 300 g ice core sample. These preliminary data exhibit a temporal trend, with higher ethane levels from 0-900 C.E., followed by a decline, reaching a minimum between 1600-1700 C.E. These trends are consistent with variations in ice core methane isotopes and carbon monoxide isotopes (Ferretti et al., 2005, Wang et al., 2010), which indicate changes in biomass burning emissions over this time period. These preliminary data suggest that Antarctic ice core bubbles contain paleoatmospheric ethane levels. With further improvement of laboratory techniques it appears

  9. Mortality and cancer incidence among alachlor manufacturing workers 1968–99

    PubMed Central

    Acquavella, J; Delzell, E; Cheng, H; Lynch, C; Johnson, G

    2004-01-01

    Background: Alachlor is the active ingredient in pre-emergent herbicide formulations that have been used widely on corn, soybeans, and other crops. It has been found to cause nasal, stomach, and thyroid tumours in rodent feeding studies at levels that are much higher than likely human exposures. Aims: To evaluate mortality rates from 1968 to 1999 and cancer incidence rates from 1969 to 1999 for alachlor manufacturing workers at a plant in Muscatine, Iowa. Methods: Worker mortality and cancer incidence rates were compared to corresponding rates for the Iowa state general population. Analyses addressed potential intensity and duration of exposure. Results: For workers with any period of high alachlor exposure, mortality from all causes combined was lower than expected (42 observed deaths, SMR 64, 95% CI 46 to 86) and cancer mortality was slightly lower than expected (13 observed deaths, SMR 79, 95% CI 42 to 136). Cancer incidence for workers with potential high exposure was similar to that for Iowa residents, both overall (29 observed cases, SIR 123, 95% CI 82 to 177) and for workers exposed for five or more years and with at least 15 years since first exposure (eight observed cases, SIR 113, 95% CI 49 to 224). There were no cases of nasal, stomach, or thyroid cancer. Conclusions: There were no cancers of the types found in toxicology studies and no discernible relation between cancer incidence for any site and years of alachlor exposure or time since first exposure. Despite the small size of this population, the findings are important because these workers had chronic exposure potential during extended manufacturing campaigns, while use in agriculture is typically limited to a few days or weeks each year. PMID:15258274

  10. Cometabolism of low concentrations of propachlor, alachlor, and cycloate in sewage and lake water.

    PubMed Central

    Novick, N J; Alexander, M

    1985-01-01

    Low concentrations of propachlor (2-chloro-N-isopropylacetanilide) and alachlor [2-chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide] were not mineralized, cycloate (S-ethyl-N-ethylthiocyclohexanecarbamate) was slowly or not mineralized, and aniline and cyclohexylamine were readily mineralized in sewage and lake water. Propachlor, alachlor, and cycloate were extensively metabolized, but the products were organic. Little conversion of propachlor and alachlor was evident in sterilized sewage or lake water. The cometabolism of propachlor was essentially linear with time in lake water and was well fit by zero-order kinetics in short periods and by first-order kinetics in longer periods in sewage. The rate of cometabolism in sewage was directly proportional to propachlor concentration at levels from 63 pg/ml to more than 100 ng/ml. Glucose but not aniline increased the yield of products formed during propachlor cometabolism in sewage. No microorganism able to use propachlor as a sole source of carbon and energy was isolated, but bacteria isolated from sewage and lake water metabolized this chemical. During the metabolism of this herbicide by two of the bacteria, none of the carbon was assimilated. Our data indicate that cometabolism of these pesticides takes place at concentrations of synthetic compounds that commonly occur in natural waters. PMID:4004208

  11. Degradation mechanism of alachlor during direct ozonation and O(3)/H(2)O(2) advanced oxidation process.

    PubMed

    Qiang, Zhimin; Liu, Chao; Dong, Bingzhi; Zhang, Yalei

    2010-01-01

    The degradation of alachlor by direct ozonation and advanced oxidation process O(3)/H(2)O(2) was investigated in this study with focus on identification of degradation byproducts. The second-order reaction rate constant between ozone and alachlor was determined to be 2.5+/-0.1M(-1)s(-1) at pH 7.0 and 20 degrees C. Twelve and eight high-molecular-weight byproducts (with the benzene ring intact) from alachlor degradation were identified during direct ozonation and O(3)/H(2)O(2), respectively. The common degradation byproducts included N-(2,6-diethylphenyl)-methyleneamine, 8-ethyl-3,4-dihydro-quinoline, 8-ethyl-quinoline, 1-chloroacetyl-2-hydro-3-ketone-7-acetyl-indole, 2-chloro-2',6'-diacetyl-N-(methoxymethyl)acetanilide, 2-chloro-2'-acetyl-6'-ethyl-N-(methoxymethyl)-acetanilide, and two hydroxylated alachlor isomers. In direct ozonation, four more byproducts were also identified including 1-chloroacetyl-2,3-dihydro-7-ethyl-indole, 2-chloro-2',6'-ethyl-acetanilide, 2-chloro-2',6'-acetyl-acetanilide and 2-chloro-2'-ethyl-6'-acetyl-N-(methoxymethyl)-acetanilide. Degradation of alachlor by O(3) and O(3)/H(2)O(2) also led to the formation of low-molecular-weight byproducts including formic, acetic, propionic, monochloroacetic and oxalic acids as well as chloride ion (only detected in O(3)/H(2)O(2)). Nitrite and nitrate formation was negligible. Alachlor degradation occurred via oxidation of the arylethyl group, N-dealkylation, cyclization and cleavage of benzene ring. After O(3) or O(3)/H(2)O(2) treatment, the toxicity of alachlor solution examined by the Daphnia magna bioassay was slightly reduced. PMID:20022076

  12. Degradation of chloroacetanilide herbicides: The prevalence of sulfonic and oxanilic acid metabolites in Iowa groundwaters and surface waters

    USGS Publications Warehouse

    Kalkhoff, S.J.; Kolpin, D.W.; Thurman, E.M.; Ferrer, I.; Barcelo, D.

    1998-01-01

    Water samples were collected from 88 municipal wells throughout Iowa during the summer and were collected monthly at 12 stream sites in eastern Iowa from March to December 1996 to study the occurrence of the sulfonic and oxanilic metabolites of acetochlor, alachlor, and metolachlor. The sulfonic and oxanilic metabolites were present in almost 75% of the groundwater samples and were generally present from 3 to 45 times more frequently than their parent compounds. In groundwater, the median value of the summed concentrations of acetochlor, alachlor, and metolachlor was less than 0.05 μg/L, and the median value of the summed concentrations of the six metabolites was 1.2 μg/L. All surface water samples contained at least one detectable metabolite compound. Individual metabolites were detected from 2 to over 100 times more frequently than the parent compounds. In surface water, the median value of the summed concentrations of the three parent compounds was 0.13 μg/L, and the median value of the summed concentrations of the six metabolites was 6.4 μg/L. These data demonstrate the importance of analyzing both parent compounds and metabolites to more fully understand the environmental fate and transport of herbicides in the hydrologic system.

  13. Experimental design approach to the optimization of ultrasonic degradation of alachlor and enhancement of treated water biodegradability.

    PubMed

    Torres, Ricardo A; Mosteo, Rosa; Pétrier, Christian; Pulgarin, Cesar

    2009-03-01

    This work presents the application of experimental design for the ultrasonic degradation of alachlor which is pesticide classified as priority substance by the European Commission within the scope of the Water Framework Directive. The effect of electrical power (20-80W), pH (3-10) and substrate concentration (10-50mgL(-1)) was evaluated. For a confidential level of 90%, pH showed a low effect on the initial degradation rate of alachlor; whereas electrical power, pollutant concentration and the interaction of these two parameters were significant. A reduced model taking into account the significant variables and interactions between variables has shown a good correlation with the experimental results. Additional experiments conducted in natural and deionised water indicated that the alachlor degradation by ultrasound is practically unaffected by the presence of potential *OH radical scavengers: bicarbonate, sulphate, chloride and oxalic acid. In both cases, alachlor was readily eliminated ( approximately 75min). However, after 4h of treatment only 20% of the initial TOC was removed, showing that alachlor by-products are recalcitrant to the ultrasonic action. Biodegradability test (BOD5/COD) carried out during the course of the treatment indicated that the ultrasonic system noticeably increases the biodegradability of the initial solution. PMID:18930694

  14. Ethane-xenon mixtures under shock conditions

    NASA Astrophysics Data System (ADS)

    Flicker, Dawn; Magyar, Rudolph; Root, Seth; Cochrane, Kyle; Mattsson, Thomas

    2015-06-01

    Mixtures of light and heavy elements arise in inertial confinement fusion and planetary science. We present results on the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT/QMD) at elevated-temperature and pressure is used to obtain the properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. To validate the QMD simulations, we performed high-precision shock compression experiments using Sandia's Z-Machine. A bond tracking analysis of the simulations correlates the sharp rise in the Hugoniot curve with completion of dissociation in ethane. DFT-based simulation results compare well with experimental data and are used to provide insight into the dissociation as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for ethane, Xe-ethane, polymethyl-pentene, and polystyrene, suggesting that a limiting compression exists for C-C bonded systems. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, Security Administration under contract DE-AC04-94AL85000.

  15. The Energy of Substituted Ethanes. Asymmetry Orbitals

    PubMed Central

    Salem, Lionel; Hoffmann, Roald; Otto, Peter

    1973-01-01

    The leading terms in the energy of a general substituted ethane are derived in explicit form as a function of the torsional angle θ, the substituent electronegativities, and their mutual overlaps. The energy is found to be the sum of all four overlaps between pairs of asymmetry orbitals, and satisfies the requisite symmetry properties. PMID:16592060

  16. Effects of the organic matter from swine wastewater on the adsorption and desorption of alachlor in soil.

    PubMed

    Dal Bosco, Tatiane C; Sampaio, Silvio C; Coelho, Silvia R M; Cosmann, Natássia J; Smanhotto, Adriana

    2012-01-01

    The application of swine wastewater to the soil for agricultural purposes results in the addition of total and dissolved organic matter to the soil, which may interfere with the dynamics of pesticides in the soil. The objective of this study was to evaluate the effects of the application of total and dissolved organic matter from a biodigester and a treatment lagoon of swine wastewater in the adsorption and desorption of alachlor [2-chloro-2,6-diethyl-N(methoxymethyl acetamide)]. The assay was performed by the batch equilibrium method, and the results were fitted to the Freundlich model. The curve comparison test revealed a greater adsorption of alachlor in the soil treated with swine wastewater from the biodigester. The adsorption and desorption of alachlor increased in the soils where swine wastewater was added, and hysteresis was observed in all of the treatments. PMID:22494371

  17. Effects of the organic matter from swine wastewater on the adsorption and desorption of alachlor in soil.

    PubMed

    Dal Bosco, Tatiane C; Sampaio, Silvio C; Coelho, Silvia R M; Cosmann, Natássia J; Smanhotto, Adriana

    2012-01-01

    The application of swine wastewater to the soil for agricultural purposes results in the addition of total and dissolved organic matter to the soil, which may interfere with the dynamics of pesticides in the soil. The objective of this study was to evaluate the effects of the application of total and dissolved organic matter from a biodigester and a treatment lagoon of swine wastewater in the adsorption and desorption of alachlor [2-chloro-2,6-diethyl-N(methoxymethyl acetamide)]. The assay was performed by the batch equilibrium method, and the results were fitted to the Freundlich model. The curve comparison test revealed a greater adsorption of alachlor in the soil treated with swine wastewater from the biodigester. The adsorption and desorption of alachlor increased in the soils where swine wastewater was added, and hysteresis was observed in all of the treatments.

  18. Transport of Alachlor, Atrazine, Dicamba, and Bromide through Silt and Loam Soils

    NASA Astrophysics Data System (ADS)

    Tindall, J. A.

    2015-12-01

    The herbicides alachlor, atrazine, and dicamba, as well as bromide were applied to soils overlying the High Plains aquifer in Nebraska, to both macropore and non-macropore sites. Three of 6 study areas (exhibiting a high percentage of macropores) were used for analysis of chemical transport. Twelve intact soil cores (30 cm diameter; 40 cm height), were excavated (two each from 0-40 cm and 40-80 cm depths). The first three study areas and soil cores were used to study preferential flow characteristics using dye staining and to determine hydraulic properties; the remaining cores were treated the same as field macropore sites. Two undisturbed experimental field plots, each with a 1 m2 surface area, were established in each of the three macropore study areas. Each preferential plot was instrumented with suction lysimeters, tensiometers, and neutron access tubes - 10 cm increments to 80 cm - and planted in corn. Three study areas that did not exhibit macropores had alachlor, atrazine, and dicamba and bromide disked into the top 15 cm of soil; concentrations were tracked for 120 days - samples were collected on a grid, distributed within 3 plots measuring 50 m x 50 m each. Core samples were collected prior to and immediately after application, and then at 30, 60, and 120 days after application. Each lab core sample was in 15-cm lengths from 0-15 cm, 15-30 cm, 45-60 cm, and 75-90 cm. For areas exhibiting macropores, herbicides had begun to move between 10-15 days after application with concentrations peaking at various depths after heavy rainfall events. Field lysimeter samples showed increases in concentrations of herbicides at depths where laboratory data indicated greater percentages of preferential flowpaths. Concentrations of atrazine, alachlor and dicamba exceeding 0.30, 0.30, and 0.05 μg m1-1 respectively were observed with depth (10-30 cm and 50-70 cm) after two months following heavy rainfall events indicating that preferential flowpaths were a significant

  19. Reduction of halogenated ethanes by green rust.

    SciTech Connect

    O'Loughlin, E. J.; Burris, D. R.; Environmental Research; Air Force Research Lab.; Integrated Science and Technology, Inc.

    2004-01-01

    Green rusts, mixed Fe{sup II}/Fe{sup III} hydroxide minerals present in many suboxic environments, have been shown to reduce a number of organic and inorganic contaminants. The reduction of halogenated ethanes was examined in aqueous suspensions of green rust, both alone and with the addition of Ag{sup I} (AgGR) and Cu{sup II} (CuGR). Hexachloroethane (HCA), pentachloroethane (PCA), 1,1,1,2-tetrachloroethane (1,1,1,2-TeCA), 1,1,2,2-tetrachloroethane (1,1,2,2-TeCA), 1,1,1-trichloroethane (1,1,1-TCA), 1,1,2-trichloroethane (1,1,2-TCA), 1,1-dichloroethane (1,1-DCA), and 1,2-dibromoethane were reduced in the presence of green rust alone, AgGR, or CuGR; only 1,2-dichloroethane and chloroethane were nonreactive. The reduction was generally more rapid for more highly substituted ethanes than for ethanes having fewer halogen groups (HCA > PCA > 1,1,1,2-TeCA > 1,1,1-TCA > 1,1,2,2-TeCA > 1,1,2-TCA > 1,1-DCA), and isomers with the more asymmetric distributions of halogen groups were more rapidly reduced than the isomer with greater symmetry (e.g., 1,1,1-TCA > 1,1,2-TCA). The addition of Ag{sup I} or Cu{sup II} to green rust suspensions resulted in a substantial increase in the rate of halogenated ethane reduction as well as significant differences in the product distributions with respect to green rust alone.

  20. Thermomechanically integrated distillation of ethylene from ethane

    SciTech Connect

    Greene, D.G.; Haddad, H.; Manley, D.B.

    1994-12-31

    The separation of ethylene from ethane by distillation is normally the final step in the production of ethylene. The critical temperature of ethylene is about 50 F, therefore moderately low temperatures and moderately high pressures are typically used to provide optimum economic conditions. The optimum design can require thick walled and heavy pressure vessels which may be constructed of expensive alloy steels depending on the specific operating conditions. The required purity of ethylene usually exceeds 99.9%, and the economic level of recovery is approximately 99%. In addition, the relative volatility of ethylene to ethane is moderately small ranging from about 1.13 for high pressure mixtures rich in ethylene to 2.34 for low pressure mixtures rich in ethane. The relatively high purity and recovery and relatively low relative volatility dictate a large distillation column with more than 100 trays and a large diameter for world scale production levels of over a billion pounds per year of ethylene. The installed capital cost for a unit of this type and size can exceed twenty million dollars, and utility costs can exceed one million dollars per year. Consequently, there is a strong economic incentive to reduce costs through improved process designs for the distillation of ethylene from ethane, and the process is well studied in the literature. Thermomechanically integrated distillation provides an improved design which can reduce both capital and operating costs as compared to the best conventional designs. In this paper, the conventional designs for both vapor and liquid feeds are reviewed, the underlying thermodynamics characterizing the process is discussed, alternative thermomechanically integrated designs are presented, and utility and purchased equipment costs are compared.

  1. RESPONSES OF MOLECULAR INDICATORS OF EXPOSURE IN MESOCOSMS: COMMON CARP (CYPRINUS CARPIO) EXPOSED TO THE HERBICIDES ALACHLOR AND ATRAZINE

    EPA Science Inventory

    Common carp (Cyprinus carpio) were treated in aquatic mesocosms with a single pulse of the herbicides atrazine or alachlor to study the bioavailability and biological activity of these herbicides using molecular indicators: Liver vitellogenin gene expression in male fish for estr...

  2. Low-Latitude Ethane Rain on Titan

    NASA Technical Reports Server (NTRS)

    Dalba, Paul A.; Buratti, Bonnie J.; Brown, R. H.; Barnes, J. W.; Baines, K. H.; Sotin, C.; Clark, R. N.; Lawrence, K. J.; Nicholson, P. D.

    2012-01-01

    Cassini ISS observed multiple widespread changes in surface brightness in Titan's equatorial regions over the past three years. These brightness variations are attributed to rainfall from cloud systems that appear to form seasonally. Determining the composition of this rainfall is an important step in understanding the "methanological" cycle on Titan. I use data from Cassini VIMS to complete a spectroscopic investigation of multiple rain-wetted areas. I compute "before-and-after" spectral ratios of any areas that show either deposition or evaporation of rain. By comparing these spectral ratios to a model of liquid ethane, I find that the rain is most likely composed of liquid ethane. The spectrum of liquid ethane contains multiple absorption features that fall within the 2-micron and 5-micron spectral windows in Titan's atmosphere. I show that these features are visible in the spectra taken of Titan's surface and that they are characteristically different than those in the spectrum of liquid methane. Furthermore, just as ISS saw the surface brightness reverting to its original state after a period of time, I show that VIMS observations of later flybys show the surface composition in different stages of returning to its initial form.

  3. An atmospheric history of ethane from South Pole firn air

    NASA Astrophysics Data System (ADS)

    Verhulst, K. R.; Aydin, K. M.; Lang, P.; Saltzman, E. S.

    2009-12-01

    Ethane (C2H6) is the most abundant non-methane hydrocarbon in the atmosphere and is important to tropospheric photochemistry. Sources of ethane include natural gas and oil leaks, automotive emissions and biomass burning, with smaller contributions from oceanic, vegetative, and soil emissions. The primary loss pathway for ethane is via reaction with hydroxyl radical, which controls ethane seasonality and lifetime (1-2 months during summer). There is a relatively limited database of atmospheric ethane measurements, which is insufficient to characterize long-term trends in the sources and sinks of this compound or to determine anthropogenic influence on the ethane budget. In this study, an atmospheric history of ethane over the past century is reconstructed from South Pole firn air measurements, in conjunction with a 1-D firn air diffusion model. Eighty firn air samples were collected in glass flasks from two adjacent holes drilled to 118 m at South Pole, Antarctica during the 2008/2009 season. The flasks were shipped back and analyzed by high resolution GC/MS at UCI. Firn air dating was based on the measured CO2 profile and known atmospheric history of CO2. Ethane levels in the firn increased from about 132 ppt in the deepest sample, to 259 ppt at 106 m, then decreased to 230 ppt at 30 m. Dating based on mean CO2 ages indicates that the ethane levels over Antarctica roughly doubled (from 130 to 260 ppt) between 1930 and the 1980’s. Over this time period, ethane increased at a rate of about 0.7 ppt yr-1 from 1930-1950 and 3.2 ppt yr-1 from 1950-1987. Ethane levels stabilized during the 1980’s and declined by approximately 1.8 ppt yr-1 from 1988-2004. Surface air measurements from several high latitude southern hemisphere sites indicate that the modern mean atmospheric ethane level is approximately 200 ppt.

  4. Demonstration of an ethane spectrometer for methane source identification.

    PubMed

    Yacovitch, Tara I; Herndon, Scott C; Roscioli, Joseph R; Floerchinger, Cody; McGovern, Ryan M; Agnese, Michael; Pétron, Gabrielle; Kofler, Jonathan; Sweeney, Colm; Karion, Anna; Conley, Stephen A; Kort, Eric A; Nähle, Lars; Fischer, Marc; Hildebrandt, Lars; Koeth, Johannes; McManus, J Barry; Nelson, David D; Zahniser, Mark S; Kolb, Charles E

    2014-07-15

    Methane is an important greenhouse gas and tropospheric ozone precursor. Simultaneous observation of ethane with methane can help identify specific methane source types. Aerodyne Ethane-Mini spectrometers, employing recently available mid-infrared distributed feedback tunable diode lasers (DFB-TDL), provide 1 s ethane measurements with sub-ppb precision. In this work, an Ethane-Mini spectrometer has been integrated into two mobile sampling platforms, a ground vehicle and a small airplane, and used to measure ethane/methane enhancement ratios downwind of methane sources. Methane emissions with precisely known sources are shown to have ethane/methane enhancement ratios that differ greatly depending on the source type. Large differences between biogenic and thermogenic sources are observed. Variation within thermogenic sources are detected and tabulated. Methane emitters are classified by their expected ethane content. Categories include the following: biogenic (<0.2%), dry gas (1-6%), wet gas (>6%), pipeline grade natural gas (<15%), and processed natural gas liquids (>30%). Regional scale observations in the Dallas/Fort Worth area of Texas show two distinct ethane/methane enhancement ratios bridged by a transitional region. These results demonstrate the usefulness of continuous and fast ethane measurements in experimental studies of methane emissions, particularly in the oil and natural gas sector.

  5. 21 CFR 573.600 - Lignin sulfonates.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Lignin sulfonates. 573.600 Section 573.600 Food... Additive Listing § 573.600 Lignin sulfonates. Lignin sulfonates may be safely used in animal feeds in... feeds, as liquid lignin sulfonate, in an amount not to exceed 11 percent of the molasses. (4) As...

  6. 21 CFR 573.600 - Lignin sulfonates.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Lignin sulfonates. 573.600 Section 573.600 Food... Additive Listing § 573.600 Lignin sulfonates. Lignin sulfonates may be safely used in animal feeds in... feeds, as liquid lignin sulfonate, in an amount not to exceed 11 percent of the molasses. (4) As...

  7. Low-Latitude Ethane Rain on Titan

    NASA Astrophysics Data System (ADS)

    Dalba, Paul; Buratti, B. J.; Brown, R. H.; Barnes, J. W.; Baines, K. H.; Sotin, C.; Clark, R. N.; Lawrence, K. J.; Nicholson, P. D.

    2012-10-01

    Cassini ISS observed multiple widespread changes in surface brightness in Titan's equatorial regions over the past three years (Barnes, J. W. et al. 2012, Icarus, submitted). These brightness variations are attributed to rainfall from cloud systems that appear to form seasonally (Turtle, E. P. et al. 2011, Science, 331, 1414-1417). Determining the composition of this rainfall is an important step in understanding the “methanological” cycle that dominates Titan's surface and atmosphere. In this study, we use data from Cassini VIMS to complete a thorough spectroscopic investigation of rain-wetted areas near Yalaing Terra, Hetpet Regio and central Adiri on Titan. We compute “before-and-after” spectral ratios of any areas that show either deposition or evaporation of rain at any point in the time span of August 2009 to January 2012. By comparing these spectral ratios to a model of liquid ethane that was calculated to match the resolution and sampling interval of VIMS (Brown, R. H. et al. 2008, Nature, 454, 607-610), we find that the rain is most likely composed of liquid ethane. The spectrum of liquid ethane contains multiple absorption features that fortunately fall within the 2-micron and 5-micron spectral windows in Titan's atmosphere. We show that these features are visible in the spectra taken of Titan's surface and that they are characteristically different than those in the spectrum of liquid methane. Furthermore, just as ISS saw the surface brightness reverting to its original state after a period of time, we show that VIMS observations of later flybys show the surface composition in different stages of returning to its initial form as well. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology under contract to the National Aeronautics and Space Administration. Copyright 2012. All rights reserved.

  8. Low-latitude ethane rain on Titan

    NASA Astrophysics Data System (ADS)

    Dalba, P. A.; Buratti, B. J.; Brown, R. H.; Barnes, J. W.; Baines, K. H.; Sotin, C.; Clark, R. N.; Lawrence, K. J.; Nicholson, P. D.

    2012-12-01

    Cassini ISS observed multiple widespread changes in surface brightness in Titan's equatorial regions over the past three years (Barnes, J. W. et al. 2012, Icarus, submitted). These brightness variations are attributed to rainfall from cloud systems that appear to form seasonally (Turtle, E. P. et al. 2011, Science, 331, 1414-1417). Determining the composition of this rainfall is an important step in understanding the "methanological" cycle that dominates Titan's surface and atmosphere. In this study, we use data from Cassini VIMS to complete a thorough spectroscopic investigation of rain-wetted areas near Yalaing Terra, Hetpet Regio and central Adiri on Titan. We compute "before-and-after" spectral ratios of any areas that show either deposition or evaporation of rain at any point in the time span of August 2009 to January 2012. By comparing these spectral ratios to a model of liquid ethane that was calculated to match the resolution and sampling interval of VIMS (Brown, R. H. et al. 2008, Nature, 454, 607-610), we find that the rain is most likely composed of liquid ethane. The spectrum of liquid ethane contains multiple absorption features that fortunately fall within the 2-micron and 5-micron spectral windows in Titan's atmosphere. We show that these features are visible in the spectra taken of Titan's surface and that they are characteristically different than those in the spectrum of liquid methane. Furthermore, just as ISS saw the surface brightness reverting to its original state after a period of time, we show that VIMS observations of later flybys show the surface composition in different stages of returning to its initial form as well. Funded by NASA.

  9. Ethane-xenon mixtures under shock conditions

    DOE PAGES

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, themore » DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.« less

  10. Ethane-xenon mixtures under shock conditions

    SciTech Connect

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, the DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.

  11. 10 CFR 221.11 - Natural gas and ethane.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Natural gas and ethane. 221.11 Section 221.11 Energy DEPARTMENT OF ENERGY OIL PRIORITY SUPPLY OF CRUDE OIL AND PETROLEUM PRODUCTS TO THE DEPARTMENT OF DEFENSE UNDER THE DEFENSE PRODUCTION ACT Exclusions § 221.11 Natural gas and ethane. The supply of natural...

  12. 10 CFR 221.11 - Natural gas and ethane.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Natural gas and ethane. 221.11 Section 221.11 Energy DEPARTMENT OF ENERGY OIL PRIORITY SUPPLY OF CRUDE OIL AND PETROLEUM PRODUCTS TO THE DEPARTMENT OF DEFENSE UNDER THE DEFENSE PRODUCTION ACT Exclusions § 221.11 Natural gas and ethane. The supply of natural...

  13. 10 CFR 221.11 - Natural gas and ethane.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Natural gas and ethane. 221.11 Section 221.11 Energy DEPARTMENT OF ENERGY OIL PRIORITY SUPPLY OF CRUDE OIL AND PETROLEUM PRODUCTS TO THE DEPARTMENT OF DEFENSE UNDER THE DEFENSE PRODUCTION ACT Exclusions § 221.11 Natural gas and ethane. The supply of natural...

  14. 10 CFR 221.11 - Natural gas and ethane.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Natural gas and ethane. 221.11 Section 221.11 Energy DEPARTMENT OF ENERGY OIL PRIORITY SUPPLY OF CRUDE OIL AND PETROLEUM PRODUCTS TO THE DEPARTMENT OF DEFENSE UNDER THE DEFENSE PRODUCTION ACT Exclusions § 221.11 Natural gas and ethane. The supply of natural...

  15. Ethane Ices in the Outer Solar System: Spectroscopy and Chemistry

    NASA Technical Reports Server (NTRS)

    Hudson, R. L.; Moore, M. H.; Raines, L. L.

    2009-01-01

    We report recent experiments on ethane ices made at temperatures applicable to the outer Solar System. New near- and mid-infrared data for crystalline and amorphous ethane, including new spectra for a seldom-studied solid phase that exists at 35-55 K, are presented along with radiation-chemical experiments showing the formation of more-complex hydrocarbons,

  16. 10 CFR 221.11 - Natural gas and ethane.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Natural gas and ethane. 221.11 Section 221.11 Energy DEPARTMENT OF ENERGY OIL PRIORITY SUPPLY OF CRUDE OIL AND PETROLEUM PRODUCTS TO THE DEPARTMENT OF DEFENSE UNDER THE DEFENSE PRODUCTION ACT Exclusions § 221.11 Natural gas and ethane. The supply of natural...

  17. Responses of molecular indicators of exposure in mesocosms: common carp (Cyprinus carpio) exposed to the herbicides alachlor and atrazine.

    PubMed

    Chang, Lina W; Toth, Gregory P; Gordon, Denise A; Graham, David W; Meier, John R; Knapp, Charles W; deNoyelles, F Jerry; Campbell, Scott; Lattier, David L

    2005-01-01

    Common carp (Cyprinus carpio) were treated in aquatic mesocosms with a single pulse of the herbicides atrazine or alachlor to study the bioavailability and biological activity of these herbicides using molecular indicators: Liver vitellogenin gene expression in male fish for estrogenic activity, liver cytochrome P4501A1 gene expression, and DNA damage in blood cells using the single-cell gel electrophoresis method. Both alachlor and atrazine showed dose-related increases in DNA strand breaks at environmentally relevant concentrations (<100 ppb). Gene expression indicators showed that neither herbicide had estrogenic activity in the carp, whereas atrazine at concentrations as low as 7 ppb induced cytochrome P4501A1. These results support the study of molecular indicators for exposure in surrogate ecosystems to gauge relevant environmental changes following herbicide treatments.

  18. Simultaneous determination of alachlor, metolachlor, atrazine, and simazine in water and soil by isotope dilution gas chromatography/mass spectrometry

    SciTech Connect

    Huang, L.Q.

    1989-03-01

    A multiresidue method was developed for the simultaneous determination of low parts per billion (ppb) concentrations of the herbicides alachlor, metolachlor, atrazine, and simazine in water and soil using isotope dilution gas chromatography/mass spectrometry (GC/MS). Known amounts of /sup 15/N,/sup 13/C-alachlor and /sup 2/H/sub 5/-atrazine were added to each sample as internal standards. The samples were then prepared by a solid phase extraction with no further cleanup. A high resolution GC/low resolution MS system with data acquisition in selected ion monitoring mode was used to quantitate herbicides in the extract. The limit of detection was 0.05 ppb for water and 0.5 ppb for soil. Accuracy greater than 80% and precision better than 4% was demonstrated with spiked samples.

  19. Evidence for the existence of supercooled ethane droplets under conditions prevalent in Titan's atmosphere.

    PubMed

    Sigurbjörnsson, Omar F; Signorell, Ruth

    2008-11-01

    Recent evidence for ethane clouds and condensation in Titan's atmosphere raise the question whether liquid ethane condensation nuclei and supercooled liquid ethane droplets exist under the prevalent conditions. We present laboratory studies on the phase behaviour of pure ethane aerosols and ethane aerosols formed in the presence of other ice nuclei under conditions relevant to Titan's atmosphere. Combining bath gas cooling with infrared spectroscopy, we find evidence for the existence of supercooled liquid ethane aerosol droplets. The observed homogeneous freezing rates imply that supercooled ethane could be a long-lived species in ethane-rich regions of Titan's atmosphere similar to supercooled water in the Earth's atmosphere.

  20. Evidence for the existence of supercooled ethane droplets under conditions prevalent in Titan's atmosphere.

    PubMed

    Sigurbjörnsson, Omar F; Signorell, Ruth

    2008-11-01

    Recent evidence for ethane clouds and condensation in Titan's atmosphere raise the question whether liquid ethane condensation nuclei and supercooled liquid ethane droplets exist under the prevalent conditions. We present laboratory studies on the phase behaviour of pure ethane aerosols and ethane aerosols formed in the presence of other ice nuclei under conditions relevant to Titan's atmosphere. Combining bath gas cooling with infrared spectroscopy, we find evidence for the existence of supercooled liquid ethane aerosol droplets. The observed homogeneous freezing rates imply that supercooled ethane could be a long-lived species in ethane-rich regions of Titan's atmosphere similar to supercooled water in the Earth's atmosphere. PMID:18936843

  1. Modification of Encapsulation Pressure of Reverse Micelles in Liquid Ethane

    PubMed Central

    Peterson, Ronald W.; Nucci, Nathaniel V.; Wand, A. Joshua

    2011-01-01

    Encapsulation of within reverse micelles dissolved in low viscosity fluids offers a potential solution to the slow tumbling problem presented by large soluble macromolecules to solution NMR spectroscopy. The reduction in effective macromolecular tumbling is directly dependent upon the viscosity of the solvent. Liquid ethane is of sufficiently low viscosity at pressures below 5,000 p.s.i. to offer a significant advantage. Unfortunately, the viscosity of liquid ethane shows appreciable pressure dependence. Reverse micelle encapsulation in liquid ethane often requires significantly higher pressures, which obviates the potential advantages offered by liquid ethane over liquid propane. Addition of co-surfactants or co-solvents can be used to manipulate the minimum pressure required to obtain stable, well-behaved solutions of reverse micelles prepared in liquid ethane. A library of potential additives is examined and several candidates suitable for use with encapsulated proteins are described. PMID:21764613

  2. Quantum molecular dynamics simulations of thermophysical properties of fluid ethane

    NASA Astrophysics Data System (ADS)

    Zhang, Yujuan; Wang, Cong; Zheng, Fawei; Zhang, Ping

    2012-12-01

    We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present results for the equation of state of fluid ethane in the warm dense region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity and optical reflectivity are derived. The close correlation between the nonmetal-metal transition of ethane and its decomposition, that ethane dissociates significantly into molecular and/or atomic hydrogen and some long alkane chains, has been systematically studied by analyzing the optical conductivity spectra, pair correlation functions, electronic density of states, and charge density distribution of fluid ethane.

  3. Microbial formation of ethane in anoxic estuarine sediments

    USGS Publications Warehouse

    Oremland, Ronald S.

    1981-01-01

    Estuarine sediment slurries produced methane and traces of ethane when incubated under hydrogen. Formation of methane occurred over a broad temperature range with an optimum above 65°C. Ethane formation had a temperature optimum at 40°C. Formation of these two gases was inhibited by air, autoclaving, incubation at 4 and 80°C, and by the methanogenic inhibitor, 2-bromoethanesulfonic acid. Ethane production was stimulated by addition of ethylthioethanesulfonic acid, and production from ethylthioethanesulfonic acid was blocked by 2-bromoethanesulfonic acid. A highly purified enrichment culture of a methanogenic bacterium obtained from sediments produced traces of ethane from ethylthioethanesulfonic acid. These results indicate that the small quantities of ethane found in anaerobic sediments can be formed by certain methanogenic bacteria.

  4. Comparative study of photocatalytic and photoelectrocatalytic properties of alachlor using different morphology TiO2/Ti photoelectrodes.

    PubMed

    Xin, Yanjun; Liu, Huiling; Han, Lei; Zhou, Yabin

    2011-09-15

    Wormhole-shaped TiO(2)/Ti (WT) and nanotube-shaped TiO(2)/Ti (TNT) photoelectrodes were prepared by anodic oxidation method. The morphology and structure were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). It was found that both crystal types of WT and TNT photoelectrodes were composed of anatase and rutile TiO(2) phases; however TNT photoelectrodes had highly ordered nanostructure. The photoelectrochemical (PECH) and photoelectrocatalytic (PEC) properties of WT and TNT photoelectrodes were investigated by photocurrent transient, open-circuit potential and degradation rate of alachlor under the artificial solar light illumination. All results showed that TNT photoelectrodes prepared in NaF-Na(2)SO(4) solution have more excellent photoelectron properties than WT photoelectrodes prepared in H(2)SO(4) solution. The photocatalytic (PC) and PEC experiments of alachlor showed that PC and PEC activities of TNT photoelectrodes were superior to WT photoelectrodes. At applied bias potentials the degradation rate of alachlor at TNT photoelectrodes increased significantly to 94.5%. The higher PC and PEC performance of TNT photoelectrodes were ascribed to the long-range ordered structure and short-orientation diffusion distance of photogenerated carries.

  5. Comparative sensitivity of five species of macrophytes and six species of algae to atrazine, metribuzin, alachlor, and metolachlor

    USGS Publications Warehouse

    Fairchild, James F.; Ruessler, Shane; Carlson, A. Ron

    1998-01-01

    This study determined the relative sensitivity of five species of aquatic macrophytes and six species of algae to four commonly used herbicides (atrazine, metribuzin, alachlor, and metolachlor). Toxicity tests consisted of 96-h (duckweed and algae) or 14-d (submerged macrophytes) static exposures. The triazine herbicides (atrazine and metribuzin) were significantly more toxic to aquatic plants than were the acetanilide herbicides (alachlor and metolachlor). Toxicity studies ranked metribuzin > atrazine > alachlor > metolachlor in decreasing order of overall toxicity to aquatic plants. Relative sensitivities of macrophytes to these herbicides decreased in the order of Ceratophyllum > Najas > Elodea > Lemna > Myriophyllum. Relative sensitivities of algae to herbicides decreased in the order of Selenastrum > Chlorella > Chlamydomonas > Microcystis > Scenedesmus > Anabaena. Algae and macrophytes were of similar overall sensitivities to herbicides. Data indicated that Selenastrum, a commonly tested green alga, was generally more sensitive compared to other plant species. Lemna minor, a commonly tested floating vascular plant, was of intermediate sensitivity, and was fivefold less sensitive than Ceratophyllum, which was the most sensitive species tested. The results indicated that no species was consistently most sensitive, and that a suite of aquatic plant test species may be needed to perform accurate risk assessments of herbicides.

  6. Cation States of Ethane: HEAT Calculations and Vibronic Simulations of the Photoelectron Spectrum of Ethane.

    PubMed

    Lee, Kin Long Kelvin; Rabidoux, Scott M; Stanton, John F

    2016-09-29

    High-accuracy ab initio calculations have been carried out on ethane and its radical cation. With the HEAT-345(Q) scheme, adiabatic ionization potentials of 11.52 and 11.57 eV are determined for the X̃ (2)Eg and à (2)A1g states, respectively, with an uncertainty of ±0.015 eV. Also considered in this report are linear and quadratic vibronic coupling involving both states. With this simple vibronic model, the photoelectron spectrum of ethane was simulated in the 11-15 eV region using linear and full quadratic Jahn-Teller coupling Hamiltonians, and with up to 70 billion direct product basis functions in a high-performance computing environment. Although the linear vibronic coupling model adequately reproduces the spectral envelope, the quadratic vibronic treatment results in much better agreement with the observed spectrum. PMID:27636321

  7. Thermal stability of sulfonated polymers

    SciTech Connect

    Audibert, A.; Argillier, J.F.

    1995-11-01

    Polyacrylamides which are used in oil applications i.e. polymer flooding and water based muds, are hydrolyzed versus time and temperature. This leads to a lack of tolerance towards electrolyte contamination and to a rapid degradation inducing a loss of their properties. Modifications of polyacrylamide structure have been proposed to postpone their thermal stability to higher temperatures. Monomers such as acrylamido methylpropane sulfonate (AMPS) or sulfonated styrene/maleic anhydride can be used to prevent acrylamide comonomer from hydrolysis. The aim of this work is to study under controlled conditions, i.e. anaerobic atmosphere, neutral pH, the stability of sulfonated polymers in order to distinguish between hydrolysis and radical degradation reactions. It has been observed that up to 100 C, the AMPS group is stable and protects the acrylamide function from hydrolysis up to 80%. At higher temperature, even the hydrolysis of the AMPS group occurs, giving acrylate and {beta},{beta} dimethyl taurine, with a kinetics that depends on temperature and time. Degradation in terms of molecular weight then occurs indicating that it follows a radical decarboxylation reaction. It can be limited either by the use of free radical scavenger or when the polymer is in the presence of a mineral phase such as bentonite. These results provide valuable data for the determination of the limits of use of sulfonated copolymers and guidelines for optimizing chemical structure of sulfonated polymers used in water based formulation, in particular to enhance their thermal stability.

  8. Single-step uncalcined N-TiO2 synthesis, characterizations and its applications on alachlor photocatalytic degradations

    NASA Astrophysics Data System (ADS)

    Suwannaruang, Totsaporn; Wantala, Kitirote

    2016-09-01

    The aims of this research were to synthesize nitrogen doped TiO2 (N-TiO2) photocatalysts produced by hydrothermal technique and to test the degradation performance of alachlor by photocatalytic process under UV irradiations in the effect of aging temperature and time in the preparation process. The characterizations of synthesized TiO2 such as specific surface area, particle size, phase structure and elements were analyzed by using the Brunauer-Emmett-Teller (BET) technique, Transmission Electron Microscopy (TEM), X-ray Diffractometer (XRD) and Energy Dispersive X-ray spectrometer (EDX), respectively. The Central Composite Design (CCD) was used to design the experiment to determine the optimal condition, main effects and their interactions by using specific surface area, percent alachlor removal and observed first-order rate constant as responses. The kinetic reactions of alachlor degradation were explained by using Langmuir-Hinshelwood expression to confirm the reaction took place on the surface of photocatalyst. The results showed that the effect of aging temperatures was significant on surface area, whereas aging time was insignificant. Additionally, the square term of aging temperature and interaction term were shown significant on the specific surface area as well. The highest specific surface area from response surface at aging temperature between 150-175 °C and aging time between 6-13 h was found in a range of 100-106 m2/g. The average particle size of TiO2 was similar to crystallite size. Therefore, it can be concluded that one particle has only one crystal. The element analysis has shown 10% of nitrogen in TiO2 structure that the energy band-gap about 2.95 eV was found. Although, the effects of aging temperature and time on percent alachlor removal and observed first-order rate constants were insignificant, both terms were significant in term of the square for alachlor photocatalytic degradation. The optimal condition of both responses was achieved at an

  9. Environmentally friendly slow release formulations of alachlor based on clay-phosphatidylcholine.

    PubMed

    Sánchez-Verdejo, Trinidad; Undabeytia, Tomas; Nir, Shlomo; Maqueda, Celia; Morillo, Esmeralda

    2008-08-01

    A new clay-liposome complex was developed for reducing leaching of herbicides and contamination of groundwater. The liposomes were composed of the neutral and Environmental Protection Agency approved phospholipid phosphatidylcholine (PC). Adsorption of PC liposomes on the clay mineral montmorillonite could exceed the cation exchange capacity of the clay, and was well simulated by the Langmuir equation. X-ray diffraction results for 6 mM PC and 1.6 g/L clay (3 day incubation) yielded a basal spacing of 7.49 nm, which was interpreted as the formation of a supported planar bilayer on montmorillonite platelets. Fluorescence methods demonstrated structural changes which reflected adsorption of PC followed by loss of vesicle integrity as measured by the penetration of dithionite into the internal monolayer of fluorescently labeled liposomes, resulting in a decrease in fluorescence intensity to 18% of initial after 4 h. Energy transfer was demonstrated after 1 h from labeled liposomes to montmorillonite labeled by an acceptor. The neutral herbicide alachlor adsorbed on the liposome-clay complex, yielding a formulation of up to 40% active ingredient, and 1.6-fold reduction in herbicide release in comparison to the commercial formulation. Hence, the PC-montmorillonite complex can form a basis for environmentally friendly formulations of herbicides, which would yield reduced leaching.

  10. Evidence for a polar ethane cloud on Titan.

    PubMed

    Griffith, C A; Penteado, P; Rannou, P; Brown, R; Boudon, V; Baines, K H; Clark, R; Drossart, P; Buratti, B; Nicholson, P; McKay, C P; Coustenis, A; Negrao, A; Jaumann, R

    2006-09-15

    Spectra from Cassini's Visual and Infrared Mapping Spectrometer reveal the presence of a vast tropospheric cloud on Titan at latitudes 51 degrees to 68 degrees north and all longitudes observed (10 degrees to 190 degrees west). The derived characteristics indicate that this cloud is composed of ethane and forms as a result of stratospheric subsidence and the particularly cool conditions near the moon's north pole. Preferential condensation of ethane, perhaps as ice, at Titan's poles during the winters may partially explain the lack of liquid ethane oceans on Titan's surface at middle and lower latitudes.

  11. Evidence for a polar ethane cloud on Titan

    USGS Publications Warehouse

    Griffith, C.A.; Penteado, P.; Rannou, P.; Brown, R.; Boudon, V.; Baines, K.H.; Clark, R.; Drossart, P.; Buratti, B.; Nicholson, P.; McKay, C.P.; Coustenis, A.; Negrao, A.; Jaumann, R.

    2006-01-01

    Spectra from Cassini's Visual and Infrared Mapping Spectrometer reveal the presence of a vast tropospheric cloud on Titan at latitudes 51?? to 68?? north and all longitudes observed (10?? to 190?? west). The derived characteristics indicate that this cloud is composed of ethane and forms as a result of stratospheric subsidence and the particularly cool conditions near the moon's north pole. Preferential condensation of ethane, perhaps as ice, at Titan's poles during the winters may partially explain the lack of liquid ethane oceans on Titan's surface at middle and lower latitudes.

  12. Random packing debottlenecks refinery de-ethanizing stripper

    SciTech Connect

    Deley, S.J. ); Graf, K. )

    1994-08-01

    BP Oil Co. successfully packed a de-ethanizing stripper at its Lima, Ohio, refinery to improve capacity and ethane removal. Design capacity increased from 76,000 b/d to 92,000 b/d, and ethane in the LPG product decreased from 6--7 LV % to 3.5 LV %. The improved performance has been evident in 2 years of operation since the revamp. Critical project decisions included: feed preheat; liquid distributor design; water decanting capability; weld-free internals supports; materials of constriction; and support-ledge removal. The paper describes the stripper tower, the project scope, design choices, modifications, start-up, and operation.

  13. Profiling sulfonate ester stability: identification of complementary protecting groups for sulfonates

    PubMed Central

    Miller, Stephen C.

    2010-01-01

    Sulfonation is prized for its ability to impart water-solubility to hydrophobic molecules such as dyes. This modification is usually performed as a final step, since sulfonated molecules are poorly soluble in most organic solvents, which complicates their synthesis and purification. This work compares the intrinsic lability of different sulfonate esters, identifying new sulfonate protecting groups and mild, selective cleavage conditions. PMID:20515067

  14. Sulfone cosurfactants in enhanced oil recovery processes

    SciTech Connect

    Stapp, P. R.

    1984-12-04

    A surfactant system useful for oil recovery consisting essentially of a NaCl, a hydrocarbon sulfonate surfactant, such as a petroleum sulfonate, and a cosurfactant such as a sulfone or sulfolane derivative. In another embodiment, a C/sub 1/ to C/sub 8/ alcohol is additionally present as a cosurfactant.

  15. Safety assessment of xylene sulfonic acid, toluene sulfonic acid, and alkyl aryl sulfonate hydrotropes as used in cosmetics.

    PubMed

    Bergfeld, Wilma F; Belsito, Donald V; Klaassen, Curtis D; Hill, Ronald; Liebler, Daniel; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

    2011-12-01

    Xylene sulfonic acid, toluene sulfonic acid, and alkyl aryl sulfonate hydrotropes used in cosmetics as surfactants, hydrotropes, were reviewed in this safety assessment. The similar structure, properties, functions, and uses of these ingredients enabled grouping them and using the available toxicological data to assess the safety of the entire group. The Cosmetic Ingredient Review Expert Panel reviewed relevant animal and human data related to these ingredients. The panel concluded that xylene sulfonic acid and alkyl aryl sulfonate hydrotropes are safe as cosmetic ingredients in the present practices of use and concentrations as described in this safety assessment, when formulated to be nonirritating.

  16. Derived Reference Doses (RfDs) for the environmental degradates of the herbicides alachlor and acetochlor: results of an independent expert panel deliberation.

    PubMed

    Gadagbui, Bernard; Maier, Andrew; Dourson, Michael; Parker, Ann; Willis, Alison; Christopher, John P; Hicks, Lebelle; Ramasamy, Santhini; Roberts, Stephen M

    2010-01-01

    An independent peer expert panel was convened under the auspices of the Alliance for Risk Assessment (ARA) to review toxicology data and derive oral Reference Doses (RfDs) for four environmental degradates of the acetanilide herbicides, alachlor and acetochlor. The degradates included in this evaluation were (1) alachlor tertiary-ethanesulfonic acid (ESA), (2) alachlor tertiary-oxanilic acid (OXA), (3) acetochlor ESA, and (4) acetochlor OXA. Each degradate was judged to have sufficient data for developing low to medium confidence RfD, with use of an additional uncertainty factor (UF) to cover data gaps. Body weight decreases were identified as the most sensitive treatment-related adverse effect for RfD development. A composite UF of 1000 (10 for human variability in sensitivity, 10 for interspecies differences in sensitivity, and 10 for subchronic to chronic and database deficiency combined; i.e., 10(A)x10(H)x10(S&D)) for each degradate was considered reasonable, while noting that an argument could be made for an UF of 3000 (10(A)x10(H)x30(S&D)). Based on the available data, an oral RfD of 0.2 mg/kg-day is recommended for both acetochlor ESA and acetochlor OXA and an oral RfD of 0.8 mg/kg-day is recommended for both alachlor ESA and alachlor OXA. PMID:20206657

  17. Appreciation of Winter and Locality in Ethan Frome

    ERIC Educational Resources Information Center

    Dutton, Nancy J.

    2004-01-01

    A high school teacher gets an opportunity to connect students with the local community and help them understand economic, class and geographical diversity, as she teaches a unit on Ethan Frome. Specific descriptions in and beyond the classroom are highlighted.

  18. Following The Carbon: Structure, Chemistry, And Spectroscopy Of Frozen Ethane

    NASA Astrophysics Data System (ADS)

    Raines, Lily; Hudson, R. L.; Moore, M. H.

    2008-09-01

    Oort Cloud comets, as well as TNOs 2005 FY9, Quaoar, and Pluto, are known to contain ethane. Even though this molecule is found in several outer solar system objects, relatively little information is available about its amorphous, metastable, and crystalline phases. In new experiments, we have prepared ethane ices at various temperatures, and heated and ion-irradiated these ices to study phase changes and ethane's radiation chemistry with near- and mid-IR spectroscopy. Recent results will be presented at this meeting. An improved understanding of solid-phase ethane may contribute to future searches for this and other hydrocarbons in the outer solar system. This work was conducted by LLR while a summer research intern at the Goddard Center for Astrobiology, Goddard Space Flight Center. Additional support from NASA's Outer Planets, Planetary Atmospheres, and Planetary Geology and Geophysics programs is acknowledged by all of the authors.

  19. Reference Correlation for the Viscosity of Ethane

    SciTech Connect

    Vogel, Eckhard; Span, Roland; Herrmann, Sebastian

    2015-12-15

    A new representation of the viscosity for the fluid phase of ethane includes a zero-density correlation and a contribution for the critical enhancement, initially both developed separately, but based on experimental data. The higher-density contributions are correlated as a function of the reduced density δ = ρ/ρ{sub c} and of the reciprocal reduced temperature τ = T{sub c}/T (ρ{sub c}—critical density and T{sub c}—critical temperature). The final formulation contains 14 coefficients obtained using a state-of-the-art linear optimization algorithm. The evaluation and choice of the selected primary data sets is reviewed, in particular with respect to the assessment used in earlier viscosity correlations. The new viscosity surface correlation makes use of the reference equation of state for the thermodynamic properties of ethane by Bücker and Wagner [J. Phys. Chem. Ref. Data 35, 205 (2006)] and is valid in the fluid region from the melting line to temperatures of 675 K and pressures of 100 MPa. The viscosity in the limit of zero density is described with an expanded uncertainty of 0.5% (coverage factor k = 2) for temperatures 290 < T/K < 625, increasing to 1.0% at temperatures down to 212 K. The uncertainty of the correlated values is 1.5% in the range 290 < T/K < 430 at pressures up to 30 MPa on the basis of recent measurements judged to be very reliable as well as 4.0% and 6.0% in further regions. The uncertainty in the near-critical region (1.001 < 1/τ < 1.010 and 0.8 < δ < 1.2) increases with decreasing temperature up to 3.0% considering the available reliable data. Tables of the viscosity calculated from the correlation are listed in an appendix for the single-phase region, for the vapor–liquid phase boundary, and for the near-critical region.

  20. p-Chlorophenyl methyl sulfone

    Integrated Risk Information System (IRIS)

    p - Chlorophenyl methyl sulfone ; CASRN 98 - 57 - 7 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for No

  1. Coarse graining of polystyrene sulfonate

    NASA Astrophysics Data System (ADS)

    Perahia, Dvora; Agrawal, Anupriya; Grest, Gary S.

    2015-03-01

    Capturing large length scales in soft matter while retaining atomistic properties is imperative to computational studies. Here we develop a new coarse-grained model for polystyrene sulfonate (PSS) that often serves as a model system because of its narrow molecular weight distribution and defined degree of sulfonation. Four beads are used to represent polymer where the backbone, the phenyl group, and the sulfonated group are each represented by a different bead and the fourth one represents counterion, which is sodium in our case. Initial atomistic simulations of PSS melt with sulfonation levels of 2-10%, with a dielectric constant ɛ = 1 revealed a ``locked'' phase where motion of the polymer is limited. Dielectric constant of ɛ = 5 was used to accelerate the dynamics. Bonded interactions were obtained using Boltzmann inversion on the bonded distributions extracted from atomistic simulation. Non-bonded interaction of polystyrene monomer was taken from our previous work and potential of mean force was used as the initial guess for interaction of the ionic beads. This set of potential was subsequently iterated to get a good match with radial distribution functions. This potential and its transferability across dielectric constants and temperatures will be presented. Grant DE-SC007908.

  2. Phycotoxicity of linear alkylbenzene sulfonate

    SciTech Connect

    Chawla, G.; Viswanathan, P.N.; Devi, S.

    1988-04-01

    Dose- and time-dependent effects of linear alkylbenzene sulfonate, a major component of synthetic detergent, to the blue-green alga Nostoc muscorum, were studied under laboratory conditions. Toxicity was evident, at doses above 0.001%, from the decrease in biomass, heterocyst number, and protein content and pathomorphological alterations.

  3. Process for sulfonation of gas oils

    SciTech Connect

    Berg, R. C.

    1980-12-23

    A process for the production of oil-soluble sulfonates from a gas oil such as a vacuum gas oil. Water-soluble sulfonic acids are separated from the effluent of the sulfonation zone, and the remainder of the effluent is then passed through a saponification zone to produce oil-soluble sulfonates which are then recovered. The remaining hydrocarbons are fractionated, with the resultant heavy fraction being passed through a reforming zone to produce additional aromatics which are then recycled to the sulfonation zone.

  4. Electron attenuation in free, neutral ethane clusters.

    PubMed

    Winkler, M; Myrseth, V; Harnes, J; Børve, K J

    2014-10-28

    The electron effective attenuation length (EAL) in free, neutral ethane clusters has been determined at 40 eV kinetic energy by combining carbon 1s x-ray photoelectron spectroscopy and theoretical lineshape modeling. More specifically, theory is employed to form model spectra on a grid in cluster size (N) and EAL (λ), allowing N and λ to be determined by optimizing the goodness-of-fit χ(2)(N, λ) between model and observed spectra. Experimentally, the clusters were produced in an adiabatic-expansion setup using helium as the driving gas, spanning a range of 100-600 molecules in mean cluster size. The effective attenuation length was determined to be 8.4 ± 1.9 Å, in good agreement with an independent estimate of 10 Å formed on the basis of molecular electron-scattering data and Monte Carlo simulations. The aggregation state of the clusters as well as the cluster temperature and its importance to the derived EAL value are discussed in some depth. PMID:25362297

  5. Electron attenuation in free, neutral ethane clusters

    SciTech Connect

    Winkler, M.; Harnes, J.; Børve, K. J.; Myrseth, V.

    2014-10-28

    The electron effective attenuation length (EAL) in free, neutral ethane clusters has been determined at 40 eV kinetic energy by combining carbon 1s x-ray photoelectron spectroscopy and theoretical lineshape modeling. More specifically, theory is employed to form model spectra on a grid in cluster size (N) and EAL (λ), allowing N and λ to be determined by optimizing the goodness-of-fit χ{sup 2}(N, λ) between model and observed spectra. Experimentally, the clusters were produced in an adiabatic-expansion setup using helium as the driving gas, spanning a range of 100–600 molecules in mean cluster size. The effective attenuation length was determined to be 8.4 ± 1.9 Å, in good agreement with an independent estimate of 10 Å formed on the basis of molecular electron-scattering data and Monte Carlo simulations. The aggregation state of the clusters as well as the cluster temperature and its importance to the derived EAL value are discussed in some depth.

  6. Electron attenuation in free, neutral ethane clusters

    NASA Astrophysics Data System (ADS)

    Winkler, M.; Myrseth, V.; Harnes, J.; Børve, K. J.

    2014-10-01

    The electron effective attenuation length (EAL) in free, neutral ethane clusters has been determined at 40 eV kinetic energy by combining carbon 1s x-ray photoelectron spectroscopy and theoretical lineshape modeling. More specifically, theory is employed to form model spectra on a grid in cluster size (N) and EAL (λ), allowing N and λ to be determined by optimizing the goodness-of-fit χ2(N, λ) between model and observed spectra. Experimentally, the clusters were produced in an adiabatic-expansion setup using helium as the driving gas, spanning a range of 100-600 molecules in mean cluster size. The effective attenuation length was determined to be 8.4 ± 1.9 Å, in good agreement with an independent estimate of 10 Å formed on the basis of molecular electron-scattering data and Monte Carlo simulations. The aggregation state of the clusters as well as the cluster temperature and its importance to the derived EAL value are discussed in some depth.

  7. Electron attenuation in free, neutral ethane clusters.

    PubMed

    Winkler, M; Myrseth, V; Harnes, J; Børve, K J

    2014-10-28

    The electron effective attenuation length (EAL) in free, neutral ethane clusters has been determined at 40 eV kinetic energy by combining carbon 1s x-ray photoelectron spectroscopy and theoretical lineshape modeling. More specifically, theory is employed to form model spectra on a grid in cluster size (N) and EAL (λ), allowing N and λ to be determined by optimizing the goodness-of-fit χ(2)(N, λ) between model and observed spectra. Experimentally, the clusters were produced in an adiabatic-expansion setup using helium as the driving gas, spanning a range of 100-600 molecules in mean cluster size. The effective attenuation length was determined to be 8.4 ± 1.9 Å, in good agreement with an independent estimate of 10 Å formed on the basis of molecular electron-scattering data and Monte Carlo simulations. The aggregation state of the clusters as well as the cluster temperature and its importance to the derived EAL value are discussed in some depth.

  8. Accurate mass analysis of ethanesulfonic acid degradates of acetochlor and alachlor using high-performance liquid chromatography and time-of-flight mass spectrometry

    USGS Publications Warehouse

    Thurman, E.M.; Ferrer, I.; Parry, R.

    2002-01-01

    Degradates of acetochlor and alachlor (ethanesulfonic acids, ESAs) were analyzed in both standards and in a groundwater sample using high-performance liquid chromatography-time-of-flight mass spectrometry with electrospray ionization. The negative pseudomolecular ion of the secondary amide of acetochlor ESA and alachlor ESA gave average masses of 256.0750??0.0049 amu and 270.0786??0.0064 amu respectively. Acetochlor and alachlor ESA gave similar masses of 314.1098??0.0061 amu and 314.1153??0.0048 amu; however, they could not be distinguished by accurate mass because they have the same empirical formula. On the other hand, they may be distinguished using positive-ion electrospray because of different fragmentation spectra, which did not occur using negative-ion electrospray.

  9. A search for ethane on Pluto and Triton

    NASA Astrophysics Data System (ADS)

    DeMeo, Francesca E.; Dumas, Christophe; de Bergh, Catherine; Protopapa, Silvia; Cruikshank, Dale P.; Geballe, Thomas R.; Alvarez-Candal, Alvaro; Merlin, Frédéric; Barucci, Maria A.

    2010-07-01

    We present here a search for solid ethane, C 2H 6, on the surfaces of Pluto and Triton, based on near-infrared spectral observations in the H and K bands (1.4-2.45 μm) using the Very Large Telescope (VLT) and the United Kingdom Infrared Telescope (UKIRT). We model each surface using a radiative transfer model based on Hapke theory (Hapke, B. [1993]. Theory of Reflectance and Emittance Spectroscopy. Cambridge University Press, Cambridge, UK) with three basic models: without ethane, with pure ethane, and with ethane diluted in nitrogen. On Pluto we detect weak features near 2.27, 2.405, 2.457, and 2.461 μm that match the strongest features of pure ethane. An additional feature seen at 2.317 μm is shifted to longer wavelengths than ethane by at least 0.002 μm. The strength of the features seen in the models suggests that pure ethane is limited to no more than a few percent of the surface of Pluto. On Triton, features in the H band could potentially be explained by ethane diluted in N, however, the lack of corresponding features in the K band makes this unlikely (also noted by Quirico et al. (Quirico, E., Doute, S., Schmitt, B., de Bergh, C., Cruikshank, D.P., Owen, T.C., Geballe, T.R., Roush, T.L. [1999]. Icarus 139, 159-178)). While Cruikshank et al. (Cruikshank, D.P., Mason, R.E., Dalle Ore, C.M., Bernstein, M.P., Quirico, E., Mastrapa, R.M., Emery, J.P., Owen, T.C. [2006]. Bull. Am. Astron. Soc. 38, 518) find that the 2.406-μm feature on Triton could not be completely due to 13CO, our models show that it could not be accounted for entirely by ethane either. The multiple origin of this feature complicates constraints on the contribution of ethane for both bodies.

  10. Effect of crop competition and herbicides on yellow nutsedge (Cyperus esculentus L. ) and root absorption, translocation, and metabolism of alachlor and metolachlor by yellow nutsedge

    SciTech Connect

    Chamblee, R.W.

    1985-01-01

    Field studies were conducted in 1980, 1981, and 1982 to compare management programs involving different cultural practices, at-planting herbicides, and postemergence herbicides to reduce yellow nutsedge (Cyperus esculentus L.) populations, in a soybean (Glycine max (L.) Merr. Ransom)-corn (Zea mays L. Pioneer 3161 and Pioneer 3358) rotation. In laboratory studies, alachlor and metolachlor toxicity, absorption, translocation, and metabolism were investigated in different sized yellow nutsedge plants. Exposure to herbicides was restricted to plant roots. Plant sizes evaluated were 4 to 6, 10 to 15, and 18 to 22-cm tall at experiment initiation. Concentrations of greater than 0.1 ppm of both alachlor and metolachlor reduced small yellow nutsedge plant size by more than 50%. At concentrations greater than 0.2 ppm increased growth reduction was seen from metolachlor but not from alachlor. Ten to 15-cm plants exposed to 1.6 ppm of alachlor and metolachlor had plant size reductions of 48 and 62%, respectively, after 12 days. There was no difference in root absorption of /sup 14/C alachlor or /sup 14/C metolachlor from nutrient solutions. After 8 days, greater than 40, 58, and 76% of available /sup 14/C was absorbed by small, medium and large plants, respectively. After 4 and 8 days of exposure, small yellow nutsedge plants had translocated 2.6 times as much /sup 14/C metolachlor to plant shoots than /sup 14/C alachlor. Larger plants translocated the herbicides equally. Small sized plants treated with /sup 14/C metolachlor retained greater than 23% of the parent material.

  11. Hydrothermal Synthesis of FeS2 as a High-Efficiency Fenton Reagent to Degrade Alachlor via Superoxide-Mediated Fe(II)/Fe(III) Cycle.

    PubMed

    Liu, Wei; Wang, Yueyao; Ai, Zhihui; Zhang, Lizhi

    2015-12-30

    In this study, we demonstrate that hydrothermally synthesized FeS2 (syn-FeS2) is highly efficient at catalyzing the H2O2 decomposition for alachlor degradation at a wide range of initial pH (3.2-9.2). The alachlor degradation rate of syn-FeS2 heterogeneous Fenton system was almost 55 times that of its commercial pyrite (com-FeS2) counterpart at an initial pH of 6.2. Experimental results revealed that the alachlor oxidation enhancement in the syn-FeS2 Fenton system was attributed to the molecular oxygen activation induced by more surface-bound ferrous ions on syn-FeS2. The molecular oxygen activation process could generate superoxide anions to accelerate the Fe(II)/Fe(III) cycle on the syn-FeS2 surface, which favored the H2O2 decomposition to generate more hydroxyl radicals for the alachlor oxidation. It was found that the hydroxyl radicals generation rate constant of syn-FeS2 Fenton system was 71 times that of its com-FeS2 counterpart, and even 1-3 orders of magnitude larger than those of commonly used Fe-bearing heterogeneous catalysts. We detected the alachlor degradation intermediates with gas chromatography-mass spectrometry to propose tentatively a possible alachlor degradation pathway. These interesting findings could provide some new insights on the molecular oxygen activation induced by FeS2 minerals and the subsequent heterogeneous Fenton degradation of organic pollutants in the environment. PMID:26646468

  12. Methane, Ethane, and Nitrogen Liquid Stability on Titan

    NASA Astrophysics Data System (ADS)

    Hanley, Jennifer; Thompson, Garrett Leland; Roe, Henry G.; Grundy, Will; Tegler, Stephen C.; Lindberg, Gerrick Eugene; Trilling, David E.

    2016-10-01

    Previous studies have shown that the lakes of Titan are composed of methane and/or ethane, but the relative proportions are mostly unclear. Understanding the past and current stability of these lakes requires characterizing the interactions of liquid methane and ethane, along with nitrogen. Previous studies have shown that the freezing point of methane is depressed when mixed with nitrogen. Our cryogenic laboratory setup allows us to explore ices down to 30 K through imaging and transmission spectroscopy. Recent work (see Thompson et al., this conference) discovered that although methane and ethane have similar freezing points, when mixed they can remain liquid down to 72 K. Concurrently with the freezing point measurements we acquire transmission spectra of these mixtures to understand how the spectral features change with concentration and temperature. Any mixing of these two species together will depress the freezing point of the lake below Titan's surface temperature, preventing them from freezing. Also, when ethane ice forms, it freezes on the bottom of the liquid, while methane ice freezes at the top of the liquid, implying ethane ice is denser than the solution, while methane ice is less dense; this holds for all concentrations. We will present new results exploring the ternary system of methane, ethane and nitrogen. In particular we will map out the N2-C2H6 liquidus, as has been done for CH4-N2, as well as explore the effect of nitrogen on the eutectic of the methane-ethane system. This behavior has implications for not only the lakes on the surface of Titan, but also for the evaporation/condensation/cloud cycle in the atmosphere. These results will help interpretation of future observational data, and guide current theoretical models.

  13. Titan's missing ethane: From the atmosphere to the subsurface

    NASA Astrophysics Data System (ADS)

    Gilliam, Ashley E.; Lerman, Abraham

    2016-09-01

    The second most abundant component of the present-day Titan atmosphere, methane (CH4), is known to undergo photolytic conversion to ethane (C2H6) that accumulates as a liquid on Titan's surface. Condensation temperature of ethane is higher than that of methane, so that ethane "rain" may be expected to occur before the liquefaction of methane. At present, the partial pressure of ethane in the atmosphere is 1E-5 bar, much lower than 1E-1 bar of CH4. Estimated 8.46E17 kg or 1.37E6 km3 of C2H6 have been produced on Titan since accretion. The Titan surface reservoirs of ethane are lakes and craters, of estimated volume of 50,000 km3 and 61,000 km3, respectively. As these are smaller than the total volume of liquid ethane produced in the course of Titan's history, the excess may be stored in the subsurface of the crust, made primarily of water ice. The minimum porosity of the crust needed to accommodate all the liquid ethane would be only 0.9% of the uppermost 2 km of the crust. The occurrence of CH4 and liquid C2H6 on Titan has led to much speculation on the possibility of life on that satellite. The aggregation of organic molecules in a "primordial soup or bullion" depends in part on the viscosity of the medium, diffusivity of organic molecules in it, and rates of polymerization reactions. The temperatures on Titan, much lower than on primordial Earth, are less favorable to the "Second Coming of life" on Titan.

  14. Relation of Landscape Position and Irrigation to Concentrations of Alachlor, Atrazine, and Selected Degradates in Regolith in Northeastern Nebraska

    USGS Publications Warehouse

    Verstraeten, Ingrid M.; Lewis, D.T.; McCallister, D.L.; Parkhurst, A.; Thurman, E.M.

    1996-01-01

    Concentrations of alachlor, its ethanesulfonic acid degradate, atrazine and its degradates, deethylatrazine and deisopropylatrazine, in the upper regolith and associated shallow aquifers were determined in relation to landscape position (floodplains, terraces, and uplands) and irrigation (nonirrigated and irrigated corn cropland) in 1992. Irrigated and nonirrigated sites were located on each landscape position. Samples were collected from three depths. Canonical discriminant and multivariate analyses were used to interpret data. Herbicides and their degradation products tended to be present in soils with high percent organic matter, low pH, and low sand content. Atrazine was present more frequently on the floodplain at all depths than the other compounds. Atrazine (maximum 17.5 ??g/kg) and ethanesulfonic acid (maximum 10 ??g/kg) were associated with landscape position, but not with irrigation. Alachlor (maximum 24 ??g/kg), deethylatrazine (maximum 1.5 ??g/kg), and deisopropylatrazine (maximum 3.5 ??g/kg) were not significantly associated with either landscape position or irrigation. Ground-water analytical results suggested that concentrations of these herbicides and degradates in ground water did not differ among landscape position or between irrigated and nonirrigated corn cropland.

  15. Investigation of Compton profiles of molecular methane and ethane

    SciTech Connect

    Zhao, Xiao-Li; Xu, Long-Quan; Kang, Xu; Liu, Ya-Wei; Ni, Dong-Dong; Zhu, Lin-Fan; Yang, Ke Ma, Yong-Peng; Yan, Shuai

    2015-02-28

    The Compton profiles of methane and ethane molecules have been determined at an incident photon energy of 20 keV based on the third generation synchrotron radiation, and the statistical accuracy of 0.2% is achieved near p{sub z} = 0. The density functional theory with aug-cc-pVTZ basis set was used to calculate the Compton profiles of methane and ethane. The present experimental Compton profiles are in better agreement with the theoretical calculations in the whole p{sub z} region than the previous experimental results, which indicates that the present experimental Compton profiles are accurate enough to serve as the benchmark data for methane and ethane molecules.

  16. Copolymers of fluorinated polydienes and sulfonated polystyrene

    DOEpatents

    Mays, Jimmy W.; Gido, Samuel P.; Huang, Tianzi; Hong, Kunlun

    2009-11-17

    Copolymers of fluorinated polydienes and sulfonated polystyrene and their use in fuel cell membranes, batteries, breathable chemical-biological protective materials, and templates for sol-gel polymerization.

  17. Quantifying Emissions from the Eagle Ford Shale Using Ethane Enhancement

    NASA Astrophysics Data System (ADS)

    Roest, G. S.; Schade, G. W.

    2014-12-01

    Emissions from unconventional oil and natural gas exploration in the Eagle Ford Shale have been conjectured as a contributing factor to increasing ozone concentrations in the San Antonio Metropolitan Area, which is on track to be designated as a nonattainment area by the EPA. Primary species found in natural gas emissions are alkanes, with C3 and heavier alkanes acting as short-lived VOCs contributing to regional ozone formation. Methane emissions from the industry are also a forcing mechanism for climate change as methane is a potent greenhouse gas. Recent studies have highlighted a high variability and uncertainties in oil and natural gas emissions estimates in emissions inventories. Thus, accurately quantifying oil and natural gas emissions from the Eagle Ford Shale is necessary to assess the industry's impacts on climate forcing and regional air quality. We estimate oil and natural gas emissions in the Eagle Ford Shale using in situ ethane measurements along southwesterly trajectories from the Gulf of Mexico, dominantly during the summertime. Ethane enhancement within the drilling area is estimated by comparing ethane concentrations upwind of the shale, near the Texas coastline, to downwind measurements in the San Antonio Metropolitan Area, Odessa, and Amarillo. Upwind ethane observations indicate low background levels entering Texas in the Gulf of Mexico air masses. Significant ethane enhancement is observed between the coast and San Antonio, and is attributed to oil and natural gas operations due to the concurrent enhancements of heavier alkanes. Using typical boundary layer depths and presuming homogenous emissions across the Eagle Ford shale area, the observed ethane enhancements are used to extrapolate an estimate of oil and natural gas industry emissions in the Eagle Ford. As oil and natural gas production in the area is projected to grow rapidly over the coming years, the impacts of these emissions on regional air quality will need to be thoroughly

  18. Alkyl sulfonic acide hydrazides: Synthesis, characterization, computational studies and anticancer, antibacterial, anticarbonic anhydrase II (hCA II) activities

    NASA Astrophysics Data System (ADS)

    O. Ozdemir, Ummuhan; İlbiz, Firdevs; Balaban Gunduzalp, Ayla; Ozbek, Neslihan; Karagoz Genç, Zuhal; Hamurcu, Fatma; Tekin, Suat

    2015-11-01

    Methane sulfonic acide hydrazide, CH3SO2NHNH2 (1), ethane sulfonic acide hydrazide, CH3CH2SO2NHNH2 (2), propane sulfonic acide hydrazide, CH3CH2CH2SO2NHNH2 (3) and butane sulfonic acide hydrazide, CH3CH2CH2CH2SO2NHNH2 (4) have been synthesized as homologous series and characterized by using elemental analysis, spectrophotometric methods (1H-13C NMR, FT-IR, LC-MS). In order to gain insight into the structure of the compounds, we have performed computational studies by using 6-311G(d, p) functional in which B3LYP functional were implemented. The geometry of the sulfonic acide hydrazides were optimized at the DFT method with Gaussian 09 program package. A conformational analysis of compounds were performed by using NMR theoretical calculations with DFT/B3LYP/6-311++G(2d, 2p) level of theory by applying the (GIAO) approach. The anticancer activities of these compounds on MCF-7 human breast cancer cell line investigated by comparing IC50 values. The antibacterial activities of synthesized compounds were studied against Gram positive bacteria; Staphylococcus aureus ATCC 6538, Bacillus subtilis ATCC 6633, Bacillus cereus NRRL-B-3711, Enterococcus faecalis ATCC 29212 and Gram negative bacteria; Escherichia coli ATCC 11230, Pseudomonas aeruginosa ATCC 15442, Klebsiella pneumonia ATCC 70063 by using the disc diffusion method. The inhibition activities of these compounds on carbonic anhydrase II enzyme (hCA II) have been investigated by comparing IC50 and Ki values. The biological activity screening shows that butane sulfonic acide hydrazide (4) has more activity than the others against tested breast cancer cell lines MCF-7, Gram negative/Gram positive bacteria and carbonic anhydrase II (hCA II) isoenzyme.

  19. Sulfonated poly(arylene ether sulfone)s with phosphine oxide moieties: a promising material for proton exchange membranes.

    PubMed

    Fu, Lingchao; Xiao, Guyu; Yan, Deyue

    2010-06-01

    Sulfonated poly(arylene ether sulfone)s with phosphine oxide moieties (sPESPO) were achieved by polycondensation of bis(4-hydroxyphenyl)phenylphosphine oxide with 3,3'-disulfonate-4,4'-difluorodiphenyl sulfone (SFDPS) and 4-fluorophenyl sulfone (FPSF). Sulfonated poly(arylene ether sulfone)s (sPES) were also synthesized by polymerization of 4,4'-sulfonyldiphenol with SFDPS and FPSF for comparison. The comparative study demonstrates that the sPESPO ionomers exhibit strong intermolecular interactions and high oxidative stability because of the phosphine oxide groups. Furthermore, the sPESPO membrane and the sPES membrane with an equal ion exchange capacity show much different nanophase separation morphology. As a result, the former shows better properties than the latter. The sPESPO membranes exhibit excellent overall properties. For instance, the sPESPO membrane, with a disulfonation degree of 45%, exhibits high thermal and oxidative stability. Moreover, it shows a water uptake of 30.8% and a swelling ratio of 15.8% as well as a proton conductivity of 0.087 S/cm at 80 degrees C.

  20. Determination of alachlor and its metabolite 2,6-diethylaniline in microbial culture medium using online microdialysis enriched-sampling coupled to high-performance liquid chromatography.

    PubMed

    Chen, Chi-Zen; Yan, Cheing-Tong; Kumar, Ponnusamy Vinoth; Huang, Jenn-Wen; Jen, Jen-Fon

    2011-08-10

    In this study, a simple and novel microdialysis sampling technique incorporating hollow fiber liquid phase microextraction (HF-LPME) coupled online to high-performance liquid chromatography (HPLC) for the one-step sample pretreatment and direct determination of alachlor (2-chloro-2',6'-diethyl-N -(methoxymethyl)acetanilide) and its metabolite 2,6-diethylaniline (2,6-DEA) in microbial culture medium has been developed. A reversed-phase C-18 column was utilized to separate alachlor and 2,6-DEA from other species using an acetonitrile/water mixture (1:1) containing 0.1 M phosphate buffer solution at pH 7.0 as the mobile phase. Detection was carried out with a UV detector operated at 210 nm. Parameters that influenced the enrichment efficiency of online HF-LPME sampling, including the length of the hollow fiber, the perfusion solvent and its flow rate, the pH, and the salt added in sample solution, as well as chromatographic conditions were thoroughly optimized. Under optimal conditions, excellent enrichment efficiency was achieved by the microdialysis of a sample solution (pH 7.0) using hexane as perfusate at the flow rate of 4 μL/min. Detection limits were 72 and 14 ng/mL for alachlor and 2,6-DEA, respectively. The enrichment factors were 403 and 386 (RSD < 5%) for alachlor and 2,6-DEA, respectively, when extraction was performed by using a 40 cm regenerated cellulose hollow fiber and hexane as perfusion solvent at the flow rate of 0.1 μL/min. The proposed method provides a sensitive, flexible, fast, and eco-friendly procedure to enrich and determine alachlor and its metabolite (2,6-DEA) in microbial culture medium. PMID:21707080

  1. Oil recovery method utilizing an alkylarylpoxyalkylene sulfonate

    SciTech Connect

    McCoy, D.R.

    1984-08-14

    An alkylarylpolyalkoxyalkylene sulfonate alone or combined with a water soluble petroleum sulfonate surfactant is dissolved in water to form an effective surfactant fluid that is stable in high salinity environments. The surfactant fluid is injected into an underground petroleum-containing reservoir in an enhanced oil recovery process.

  2. High ethylene to ethane processes for oxidative coupling

    DOEpatents

    Chafin, Richard B.; Warren, Barbara K.

    1991-01-01

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  3. High ethylene to ethane processes for oxidative coupling

    DOEpatents

    Chafin, R.B.; Warren, B.K.

    1991-12-17

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using a catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  4. Supercritical extraction of lycopene from tomato industrial wastes with ethane.

    PubMed

    Nobre, Beatriz P; Gouveia, Luisa; Matos, Patricia G S; Cristino, Ana F; Palavra, António F; Mendes, Rui L

    2012-07-11

    Supercritical fluid extraction of all-E-lycopene from tomato industrial wastes (mixture of skins and seeds) was carried out in a semi-continuous flow apparatus using ethane as supercritical solvent. The effect of pressure, temperature, feed particle size, solvent superficial velocity and matrix initial composition was evaluated. Moreover, the yield of the extraction was compared with that obtained with other supercritical solvents (supercritical CO₂ and a near critical mixture of ethane and propane). The recovery of all-E-lycopene increased with pressure, decreased with the increase of the particle size in the initial stages of the extraction and was not practically affected by the solvent superficial velocity. The effect of the temperature was more complex. When the temperature increased from 40 to 60 °C the recovery of all-E-lycopene increased from 80 to 90%. However, for a further increase to 80 °C, the recovery remained almost the same, indicating that some E-Z isomerization could have occurred, as well as some degradation of lycopene. The recovery of all-E-lycopene was almost the same for feed samples with different all-E-lycopene content. Furthermore, when a batch with a higher all-E-lycopene content was used, supercritical ethane and a near critical mixture of ethane and propane showed to be better solvents than supercritical CO₂ leading to a faster extraction with a higher recovery of the carotenoid.

  5. Determination of Ethane-1,2-diamine in Inert Complexes.

    ERIC Educational Resources Information Center

    Searle, Graeme H.

    1985-01-01

    Describes a procedure for determining ethane-1,2-diamine (EN) which is generally applicable for inert or labile complexes or for EN in its salts, although it cannot be used directly with ammonium or coordinated ammonia. It gives results with five percent accuracy or better and requires less than one hour laboratory time. (JN)

  6. Catalytic Dehydrogenation of Ethane in Hydrogen Membrane Reactor

    NASA Astrophysics Data System (ADS)

    Galuszka, Jan; Giddings, Terry; Clelland, Ian

    The effect of a hydrogen permselective membrane (H-membrane) reactor on catalytic dehydrogenation of ethane was assessed using a fixed bed conventional reactor and a double tubular H-membrane reactor. A 5.0wt.% Cr2O3/γ-Al2O3 catalyst prepared by incipient wetness impregnation of a γ-Al2O3 (BET surface area = 50 m2/g) support was used at 555°C and 600°C. Although about 40% of H2 produced during dehydrogenation of ethane in the membrane reactor passed through the membrane, only moderate enhancement in ethane conversion was observed. The slow processes on the catalyst surface are thought to counterbalance the positive effect of membrane assisted hydrogen removal. Also, decreased selectivity to ethylene due to enhanced carbon formation in the membrane reactor led to faster deactivation of the catalyst. A strategy for commercialization of catalytic dehydrogenation of ethane through the development of a better hydrogen membrane might require a reevaluation.

  7. Geodetic data support trapping of ethane in Titan's polar crust

    NASA Astrophysics Data System (ADS)

    Sotin, Christophe; Rambaux, Nicolas

    2016-04-01

    Titan's surface is characterized by polar depressions that strongly influence interpretations of the gravity data. This study investigates several geodynamical models that can explain these depressions. For each model, the values of the three moments of inertia are computed numerically by discretizing the interior in spherical coordinates. The study shows that a Pratt model where the polar subsurface is made of ethane clathrates can explain the polar depression, the abrupt jump in altitude at about 60 degrees latitude, and the values of the degree 2 gravity coefficients. This model, proposed by Choukroun and Sotin [1], is based on the stability of ethane clathrate hydrates relative to methane clathrate hydrates. In addition to fitting the geodetic data, it explains the absence of ethane in Titan's atmosphere although ethane is the main product of the photolysis of methane. Other geophysical models based on latitudinal variations in the tidal heating production or in the heat flux at the base of the icy crust do not provide such a good match to the gravity and topographic observations. The ethane-clathrate model predicts that all the ethane produced by photolysis of methane at the present rate during the last billion years could be stored in the polar subsurface. It is consistent with the age of Titan's surface and that of Titan's atmospheric methane inferred from geological and geochemical observations by the Cassini/Huygens mission. The present study also emphasizes the role of mass anomalies on the interpretation of the degree 2 gravity coefficients. It shows that for Titan, a slow rotator, the values of the two equatorial moments of inertia (MoI) are largely affected by the polar depressions whereas the value of polar MoI is not. Therefore, as pointed out by previous calculations [2], calculating the moment of inertia (MoI) factor from the value of J2 could lead to major errors. This is not the case for our preferred Titan's model for which the negative polar

  8. Methane and ethane at high pressures: structure and stability

    NASA Astrophysics Data System (ADS)

    Goncharov, A.; Stavrou, E.; Lobanov, S.; Oganov, A. R.; Chanyshev, A.; Litasov, K.; Konopkova, Z.; Prakapenka, V.

    2013-12-01

    Methane is one of the most abundant hydrocarbon molecules in the universe and is expected to be a significant part of the icy giant planets (Uranus and Neptune) and their satellites. Ethane is one of the most predictable products of chemical reactivity of methane at extreme pressures and temperatures. In spite of numerous experimental and theoretical studies, the structure and relative stability of these materials even at room temperature remains controversial. We have performed a combined experimental, using x-ray diffraction and Raman spectroscopy, and theoretical, using the ab-initio evolutionary algorithm, study of both methane and ethane up at high pressures up to 120 GPa at 300 K. In the case of methane we have successfully solved the structure of phase B by determining the space group and the positional parameters of carbon atoms, and by completing these results for the hydrogen positions using the theoretical calculations. The general structural behavior under pressure and the relation between phase B and phases A and pre-B will be also discussed. For ethane we have determined the crystallization point, for room temperature, at 1.7 GPa and also the low pressure crystal structure (Phase I). This crystal structure is orientationally disordered (plastic phase) and deviates from the known crystal structures for ethane at low temperatures. Moreover, a pressure induced phase transition has been indentified, for the first time, at 18 GPa to a monoclinic phase II, the structure of which is solved based on a good agreement of the experimental results and theoretical predictions. We have determined the equations of state of methane and ethane, which provides a solid basis for the discussion of their relative stability at high pressures.

  9. Correlating electronic structure and chemical durability of sulfonated poly(arylene ether sulfone)s

    NASA Astrophysics Data System (ADS)

    Lawrence, Jimmy; Yamashita, Koichi; Yamaguchi, Takeo

    2015-04-01

    Many different proton-conducting polymeric materials have been developed for polymer electrolyte membrane fuel cells (PEMFCs). The development of perfluorosulfonic acid-based, polymer electrolyte membranes (PFSA-PEMs) was followed by aromatic hydrocarbon-based PEMs (HC-PEMs), which allow for tailored design and optimization of their molecular structures. Although many new PFSA-PEMs and HC-PEMs have shown promising proton conductivity and thermal stability, chemical degradation of these materials in an oxidizing environment remains a significant technical barrier in PEMFC development. Here, we used accelerated degradation tests and electronic structure analysis to examine the chemical stability of sulfonated poly(arylene ether sulfone) (SPES) copolymers, a highly thermally stable HC-PEM. HOMO levels, the presence of main chain-protecting steric groups, and HOMO-LUMO location along the main chain have significant effects on the chain scission modes and degradation rate of SPES copolymers. Rational design of HC-PEMs to suppress midpoint scission can open many opportunities in the development of highly robust polymer electrolytes for fuel cell and other energy storage applications.

  10. Aromatic sulfide/sulfone polymer production

    SciTech Connect

    Scoggins, L.E.; Hoover, K.C.; Shang, W.W.

    1991-05-14

    This patent describes a process for the production of aromatic sulfide/sulfone polymer. It comprises: contacting at least one lactam, at least one alkali metal hydrosulfide, water, and at least one base selected from the group consisting of alkali metal hydroxides and mixtures of alkali metal hydroxides with alkali metal carbonates under reaction conditions of time and temperature sufficient to produce a mixture containing a complex which comprises the at least one alkali metal hydrosulfide and contacting the mixture produced with a least one dihaloaromatic sulfone under polymerization conditions for a period of time sufficient to form an aromatic sulfide/sulfone polymer.

  11. Thermal Vacuum Testing of Swift XRT Ethane Heat Pipes

    NASA Technical Reports Server (NTRS)

    Kobel, Mark; Ku, Jentung

    2003-01-01

    This paper presents the results obtained from a recent ethane heat pipe program. Three identical ethane heat pipes were tested individually, and then two selected heat pipes were tested collectively in their system configuration. Heat transport, thermal conductance, and non-condensable gas tests were performed on each heat pipe. To gain insight into the reflux operation as seen at spacecraft level ground testing, the test fixture was oriented in a vertical configuration. The system level test included a computer-controlled heater designed to emulate the heat load generated at the thermoelectric cooler interface. The system performance was successfully characterized for a wide range of environmental conditions while staying within the operating limits.

  12. Microfluidic Separation of Ethylene and Ethane Using Frustrated Lewis Pairs.

    PubMed

    Voicu, Dan; Stephan, Douglas W; Kumacheva, Eugenia

    2015-12-21

    Separation of gaseous olefins and paraffins is one of the most important separation processes in the industry. Development of new cost-effective technologies aims at reducing the high energy consumption during the separation process. Here, we took advantage of the reaction of frustrated Lewis pairs (FLPs) with ethylene to achieve reactive extraction of ethylene from ethylene-ethane mixtures. The extraction was studied using a microfluidic platform, which enabled a rapid, high-throughput assessment of reaction conditions to optimize gas separation efficiency. A separation factor of 7.3 was achieved for ethylene from a 1:1 volume ratio mixture of ethylene and ethane, which corresponded to an extracted ethylene purity of 88 %. The results obtained in the microfluidic studies were validated using infrared spectroscopy. This work paves the way for further development of the FLPs and optimization of reaction conditions, thereby maximizing the separation efficiency of olefins from their mixtures with paraffins.

  13. Characterizing hydrocarbon sulfonates and utilization of hydrocarbon sulfonates in oil recovery

    SciTech Connect

    Glinsmann, G.R.; Hedges, J.H.

    1982-05-18

    A method for determining the average equivalent weight of hydrocarbon sulfonates and the optimal salinity and unique salinity of surfactant systems containing such hydrocarbon sulfonates is based on the discovery that the average equivalent weights of hydrocarbon sulfonates vary inversely and linearly as the optimal salinities and unique salinities of surfactant systems containing such hydrocarbon sulfonates vary. Methods of preparing surfactant systems for the displacement of oil from subterranean reservoirs and for the displacement of oil from subterranean reservoirs, based on the above-mentioned relationships, are also disclosed.

  14. Chlorine resistant desalination membranes based on directly sulfonated poly(arylene ether sulfone) copolymers

    DOEpatents

    McGrath, James E.; Park, Ho Bum; Freeman, Benny D.

    2011-10-04

    The present invention provides a membrane, kit, and method of making a hydrophilic-hydrophobic random copolymer membrane. The hydrophilic-hydrophobic random copolymer membrane includes a hydrophilic-hydrophobic random copolymer. The hydrophilic-hydrophobic random copolymer includes one or more hydrophilic monomers having a sulfonated polyarylsulfone monomer and a second monomer and one or more hydrophobic monomers having a non-sulfonated third monomer and a fourth monomer. The sulfonated polyarylsulfone monomer introduces a sulfonate into the hydrophilic-hydrophobic random copolymer prior to polymerization.

  15. Direct methanol fuel cell performance using sulfonated poly (arylene ether sulfone) random copolymers as electrolytes.

    SciTech Connect

    Zawodzinski, T. A. , Jr.; Zelenay, P.; Hickner, M.; Wang, F.; McGrath, James E.; Pivovar, B. S.

    2001-01-01

    Sulfonated poly(arylene ether sulfone) random copolymers are a new series of sulfonic acid containing polymers that have shown promise as fuel cell electrolytes. Here, we report on direct methanol fuel cell (DMFC) performance of this class of polymers at sulfonation levels ranging from 40 to 60% (monomer basis). The DMFC performance of these polymers is compared to that of Nafion 117, the long standing standard in fuel cell testing. These polymers show a higher selectivity for protons over methanol for all the sulfonation levels tested, with the 40% sulfonated polymer showing 2.5 times the selectivity of Nafion. While the higher sulfonated forms (50 and 60%) did show a higher selectivity, only the lower sulfonation levels (40 and 45%) have shown improved performance in DMFC testing. The results of these experiments will be discussed in terms of the relevant test conditions, and experimentally determined membrane properties. The relevant DMFC properties of these polymers will be discussed in terms of sulfonation level and compared to those of Nafion 117.

  16. Extraction of Peace River bitumen using supercritical ethane

    NASA Astrophysics Data System (ADS)

    Rose, Jeffrey Lawrence

    2000-10-01

    As the supply of conventional crude oil continues to decline, petroleum companies are looking for alternative hydrocarbon sources. The vast reserves of heavy oil and bitumen located in northern Alberta are among the alternatives. The challenge facing engineers is to develop a process for recovering this oil which is economic, efficient and environmentally acceptable. Supercritical fluid extraction is one method being investigated which could potentially meet all of these criteria. In this study, Peace River bitumen was extracted using supercritical ethane. The bitumen was mixed with sand and packed into a semi-batch extractor. Ethane contacted the bitumen/sand mixture and the fraction of the bitumen soluble in the ethane was removed and subsequently collected in a two phase separator. The flow of ethane was such that the experiments were governed by equilibrium and not mass transfer. Experimental temperatures and pressures were varied in order to observe the effect of these parameters on the mass and composition of the extracted material. The extraction yields increased as the temperature decreased and pressure increased. Samples were collected at various time intervals to measure changes in the properties of the extracted bitumen over the duration of the process. As the extraction proceeded, the samples became heavier and more viscous. The bitumen feed was characterised and the experimental data was then modelled using the Peng-Robinson equation of state. The characterisation process involved the distillation of the bitumen into five fractions. The distillation curve and density of each fraction was measured and this data was used in conjunction with correlations to determine the critical properties of the bitumen. Interaction parameters in the equation of state were then optimised until the predicted composition of extracted bitumen matched the experimental results.

  17. Synthesis of sulfonate analogs of bile acids.

    PubMed

    Kihira, K; Mikami, T; Ikawa, S; Okamoto, A; Yoshii, M; Miki, S; Mosbach, E H; Hoshita, T

    1992-04-01

    Sulfonate analogs of C23 and C24 bile acids were synthesized from norcholic, norchenodeoxycholic, norursodeoxycholic, nordeoxycholic, norhyodeoxycholic, cholic, deoxycholic, hyodeoxycholic, and lithocholic acids. The principal reactions used were (1) reduction of the bile acids with NaBH4 to the corresponding bile alcohols, (2) selective tosylation of the terminal hydroxyl group, (3) iodination of the tosyl esters with NaI, and (4) treatment of the iodides with Na2SO3 to form the sulfonate analogs of the bile acids. The sulfonate analogs showed polarity similar to that of taurine-conjugated bile acids on thin-layer chromatography. The carbon 13 nuclear magnetic resonance spectral data for the sulfonate analogs were tabulated.

  18. Oxidative dehydrogenation of ethane on dynamically rearranging supported chloride catalysts.

    PubMed

    Gärtner, Christian A; van Veen, André C; Lercher, Johannes A

    2014-09-10

    Ethane is oxidatively dehydrogenated with a selectivity up to 95% on catalysts comprising a mixed molten alkali chloride supported on a mildly redox-active Dy2O3-doped MgO. The reactive oxyanionic OCl(-) species acting as active sites are catalytically formed by oxidation of Cl(-) at the MgO surface. Under reaction conditions this site is regenerated by O2, dissolving first in the alkali chloride melt, and in the second step dissociating and replenishing the oxygen vacancies on MgO. The oxyanion reactively dehydrogenates ethane at the melt-gas phase interface with nearly ideal selectivity. Thus, the reaction is concluded to proceed via two coupled steps following a Mars-van-Krevelen-mechanism at the solid-liquid and gas-liquid interface. The dissociation of O2 and/or the oxidation of Cl(-) at the melt-solid interface is concluded to have the lowest forward rate constants. The compositions of the oxide core and the molten chloride shell control the catalytic activity via the redox potential of the metal oxide and of the OCl(-). Traces of water may be present in the molten chloride under reaction conditions, but the specific impact of this water is not obvious at present. The spatial separation of oxygen and ethane activation sites and the dynamic rearrangement of the surface anions and cations, preventing the exposure of coordinatively unsaturated cations, are concluded to be the origin of the surprisingly high olefin selectivity. PMID:25118821

  19. The sequestration of ethane on Titan in smog particles

    NASA Astrophysics Data System (ADS)

    Hunten, D. M.

    2006-10-01

    Saturn's largest satellite, Titan, has a dense atmosphere of nitrogen with a few per cent of methane. At visible wavelengths its surface is hidden by dense orange-brown smog, which is produced in the stratosphere by photochemical reactions following the dissociation of methane by solar ultraviolet light. The most abundant of the products of these reactions is ethane, and enough of it should have been generated over the life of the Solar System to form a satellite-wide ocean one kilometre deep. Radar observations have found specular reflections in 75 per cent of the surface spots observed, but optical searches for a sun-glint off an ocean have been negative. Here I explain the mysterious absence or rarity of liquid ethane: it condenses onto the smog particles, instead of into liquid drops, at the cold temperatures in Titan's atmosphere. This dusty combination of smog and ethane, forming deposits several kilometres thick on the surface, including the observed dunes and dark areas, could be named `smust'. This satellite-wide deposit replaces the ocean long thought to be an important feature of Titan.

  20. The sequestration of ethane on Titan in smog particles.

    PubMed

    Hunten, D M

    2006-10-12

    Saturn's largest satellite, Titan, has a dense atmosphere of nitrogen with a few per cent of methane. At visible wavelengths its surface is hidden by dense orange-brown smog, which is produced in the stratosphere by photochemical reactions following the dissociation of methane by solar ultraviolet light. The most abundant of the products of these reactions is ethane, and enough of it should have been generated over the life of the Solar System to form a satellite-wide ocean one kilometre deep. Radar observations have found specular reflections in 75 per cent of the surface spots observed, but optical searches for a sun-glint off an ocean have been negative. Here I explain the mysterious absence or rarity of liquid ethane: it condenses onto the smog particles, instead of into liquid drops, at the cold temperatures in Titan's atmosphere. This dusty combination of smog and ethane, forming deposits several kilometres thick on the surface, including the observed dunes and dark areas, could be named 'smust'. This satellite-wide deposit replaces the ocean long thought to be an important feature of Titan.

  1. Crystal structure of zwitterionic bisimidazolium sulfonates

    NASA Astrophysics Data System (ADS)

    Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao

    2012-05-01

    Crystal structures of three zwitterionic bisimidazolium salts 1-3 in which imidazolium sulfonate moieties were connected with aromatic linkers, p-xylylene, 4,4'-dimethylenebiphenyl, and phenylene, respectively, were examined. The latter two were obtained as hydrates. An S-shaped molecular structure in which the sulfonate moiety was placed on the imidazolium ring was observed for 1. A helical array of hydrated water molecules was obtained for 2 while a linear array of hydrated water molecules was observed for 3.

  2. Runoff and leaching of atrazine and alachlor on a sandy soil as affected by application in sprinkler irrigation.

    PubMed

    Abdel-Rahman, A R; Wauchope, R D; Truman, C C; Dowler, C C

    1999-05-01

    Rainfall simulation was used with small packed boxes of soil to compare runoff of herbicides applied by conventional spray and injection into sprinkler-irrigation (chemigation), under severe rainfall conditions. It was hypothesized that the larger water volumes used in chemigation would leach some of the chemicals out of the soil surface rainfall interaction zone, and thus reduce the amounts of herbicides available for runoff. A 47-mm rain falling in a 2-hour event 24 hours after application of alachlor (2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-acetamide) and atrazine (6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2, 4-diamine) was simulated. The design of the boxes allowed a measurement of pesticide concentrations in splash water throughout the rainfall event. Initial atrazine concentrations exceeding its' solubility were observed. When the herbicides were applied in 64,000 L/ha of water (simulating chemigation in 6.4 mm irrigation water) to the surface of a Tifton loamy sand, subsequent herbicide losses in runoff water were decreased by 90% for atrazine and 91% for alachlor, as compared to losses from applications in typical carrier water volumes of 187 L/ha. However, this difference was not due to an herbicide leaching effect but to a 96% decrease in the amount of runoff from the chemigated plots. Only 0.3 mm of runoff occurred from the chemigated boxes while 7.4 mm runoff occurred from the conventionally-treated boxes, even though antecedent moisture was higher in the former. Two possible explanations for this unexpected result are (a) increased aggregate stability in the more moist condition, leading to less surface sealing during subsequent rainfall, or (b) a hydrophobic effect in the drier boxes. In the majority of these pans herbicide loss was much less in runoff than in leachate water. Thus, in this soil, application of these herbicides by chemigation would decrease their potential for pollution only in situations where runoff is a greater

  3. Runoff and leaching of atrazine and alachlor on a sandy soil as affected by application in sprinkler irrigation.

    PubMed

    Abdel-Rahman, A R; Wauchope, R D; Truman, C C; Dowler, C C

    1999-05-01

    Rainfall simulation was used with small packed boxes of soil to compare runoff of herbicides applied by conventional spray and injection into sprinkler-irrigation (chemigation), under severe rainfall conditions. It was hypothesized that the larger water volumes used in chemigation would leach some of the chemicals out of the soil surface rainfall interaction zone, and thus reduce the amounts of herbicides available for runoff. A 47-mm rain falling in a 2-hour event 24 hours after application of alachlor (2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-acetamide) and atrazine (6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2, 4-diamine) was simulated. The design of the boxes allowed a measurement of pesticide concentrations in splash water throughout the rainfall event. Initial atrazine concentrations exceeding its' solubility were observed. When the herbicides were applied in 64,000 L/ha of water (simulating chemigation in 6.4 mm irrigation water) to the surface of a Tifton loamy sand, subsequent herbicide losses in runoff water were decreased by 90% for atrazine and 91% for alachlor, as compared to losses from applications in typical carrier water volumes of 187 L/ha. However, this difference was not due to an herbicide leaching effect but to a 96% decrease in the amount of runoff from the chemigated plots. Only 0.3 mm of runoff occurred from the chemigated boxes while 7.4 mm runoff occurred from the conventionally-treated boxes, even though antecedent moisture was higher in the former. Two possible explanations for this unexpected result are (a) increased aggregate stability in the more moist condition, leading to less surface sealing during subsequent rainfall, or (b) a hydrophobic effect in the drier boxes. In the majority of these pans herbicide loss was much less in runoff than in leachate water. Thus, in this soil, application of these herbicides by chemigation would decrease their potential for pollution only in situations where runoff is a greater

  4. Whole Genome Sequence Analysis of an Alachlor and Endosulfan Degrading Micrococcus sp. strain 2385 Isolated from Ochlockonee River, Florida.

    PubMed

    Pathak, Ashish; Chauhan, Ashvini; Ewida, Ayman Y I; Stothard, Paul

    2016-01-01

    We recently isolated Micrococcus sp. strain 2385 from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides- alachlor [(2-chloro-2`,6`-diethylphenyl-N (methoxymethyl)acetanilide)] and endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain 2385, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of Micrococcus sp. strain 2385 consisted of 1,460,461,440 bases which assembled into 175 contigs with an N50 contig length of 50,109 bases and a coverage of 600x. The genome size of this strain was estimated at 2,431,226 base pairs with a G+C content of 72.8 and a total number of 2,268 putative genes. RAST annotated a total of 340 subsystems in the genome of strain 2385 along with the presence of 2,177 coding sequences. A genome wide survey indicated that that strain 2385 harbors a plethora of genes to degrade other pollutants including caprolactam, PAHs (such as naphthalene), styrene, toluene and several chloroaromatic compounds.

  5. Whole Genome Sequence Analysis of an Alachlor and Endosulfan Degrading Micrococcus sp. strain 2385 Isolated from Ochlockonee River, Florida.

    PubMed

    Pathak, Ashish; Chauhan, Ashvini; Ewida, Ayman Y I; Stothard, Paul

    2016-01-01

    We recently isolated Micrococcus sp. strain 2385 from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides- alachlor [(2-chloro-2`,6`-diethylphenyl-N (methoxymethyl)acetanilide)] and endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain 2385, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of Micrococcus sp. strain 2385 consisted of 1,460,461,440 bases which assembled into 175 contigs with an N50 contig length of 50,109 bases and a coverage of 600x. The genome size of this strain was estimated at 2,431,226 base pairs with a G+C content of 72.8 and a total number of 2,268 putative genes. RAST annotated a total of 340 subsystems in the genome of strain 2385 along with the presence of 2,177 coding sequences. A genome wide survey indicated that that strain 2385 harbors a plethora of genes to degrade other pollutants including caprolactam, PAHs (such as naphthalene), styrene, toluene and several chloroaromatic compounds. PMID:27672405

  6. Whole Genome Sequence Analysis of an Alachlor and Endosulfan Degrading Micrococcus sp. strain 2385 Isolated from Ochlockonee River, Florida

    PubMed Central

    Pathak, Ashish; Chauhan, Ashvini; Ewida, Ayman Y.I.; Stothard, Paul

    2016-01-01

    We recently isolated Micrococcus sp. strain 2385 from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides- alachlor [(2-chloro-2`,6`-diethylphenyl-N (methoxymethyl)acetanilide)] and endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain 2385, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of Micrococcus sp. strain 2385 consisted of 1,460,461,440 bases which assembled into 175 contigs with an N50 contig length of 50,109 bases and a coverage of 600x. The genome size of this strain was estimated at 2,431,226 base pairs with a G+C content of 72.8 and a total number of 2,268 putative genes. RAST annotated a total of 340 subsystems in the genome of strain 2385 along with the presence of 2,177 coding sequences. A genome wide survey indicated that that strain 2385 harbors a plethora of genes to degrade other pollutants including caprolactam, PAHs (such as naphthalene), styrene, toluene and several chloroaromatic compounds.

  7. Whole Genome Sequence Analysis of an Alachlor and Endosulfan Degrading Micrococcus sp. strain 2385 Isolated from Ochlockonee River, Florida

    PubMed Central

    Pathak, Ashish; Chauhan, Ashvini; Ewida, Ayman Y.I.; Stothard, Paul

    2016-01-01

    We recently isolated Micrococcus sp. strain 2385 from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides- alachlor [(2-chloro-2`,6`-diethylphenyl-N (methoxymethyl)acetanilide)] and endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain 2385, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of Micrococcus sp. strain 2385 consisted of 1,460,461,440 bases which assembled into 175 contigs with an N50 contig length of 50,109 bases and a coverage of 600x. The genome size of this strain was estimated at 2,431,226 base pairs with a G+C content of 72.8 and a total number of 2,268 putative genes. RAST annotated a total of 340 subsystems in the genome of strain 2385 along with the presence of 2,177 coding sequences. A genome wide survey indicated that that strain 2385 harbors a plethora of genes to degrade other pollutants including caprolactam, PAHs (such as naphthalene), styrene, toluene and several chloroaromatic compounds. PMID:27672405

  8. Primary biodegradation of linear alkyltoluene and alkylbenzene sulfonates.

    PubMed

    Singh, M; Satish, S

    1989-01-01

    Studies on the primary biodegradation of linear dodecylbenzene sulfonate, linear dodecyltoluene sulfonate, linear C(10-14) benzene sulfonate, linear C(10-14) toluene sulfonate, commercial samples of linear C(10-14) benzene sulfonate and branched dodecylbenzene sulfonate (DDBS) were carried out using a microbial culture developed from garden soil. Results show that linear alkyl toluene (LAT) is as degradable as linear alkylbenzene (LAB) in 7 days. However, a slower rate of degradation was noted with LAT. Various distributions of the positional isomers of the phenyl ring in the alkane chain of C(10-14) LAB showed no change in the pattern of primary biodegradation.

  9. Susceptibility of Candida albicans to new synthetic sulfone derivatives.

    PubMed

    Staniszewska, Monika; Bondaryk, Małgorzata; Ochal, Zbigniew

    2015-02-01

    The influence of halogenated methyl sulfones, i.e. bromodichloromethyl-4-chloro-3-nitrophenyl sulfone (named halogenated methyl sulfone 1), dichloromethyl-4-chloro-3-nitrophenyl sulfone (halogenated methyl sulfone 2), and chlorodibromomethyl-4-hydrazino-3-nitrophenyl sulfone (halogenated methyl sulfone 3), on cell growth inhibition, aspartic protease gene (SAP4-6) expression, adhesion to epithelium, and filamentation was investigated. Antifungal susceptibility of the halogenated methyl sulfones was determined with the M27-A3 protocol in the range of 16-0.0313 µg/mL. Adherence to Caco-2 cells was performed in 24-well plates; relative quantification was normalized against ACT1 in cells after 18 h of growth in YEPD and on Caco-2 cells. SAP4-6 expression was analyzed using RT-PCR. Structure-activity relationship studies suggested that halogenated methyl sulfone 1 containing bromodichloromethyl or dichloromethyl function at C-4 (halogenated methyl sulfone 2) of the phenyl ring showed the best activity (100% cell inhibition at 0.5 µg/mL), while hydrazine at C-1 (halogenated methyl sulfone 3) reduced the sulfone potential (100% = 4 µg/mL). SAP4-6 were up- or down-regulated depending on the strains' genetic background and the substitutions on the phenyl ring. Halogenated methyl sulfone 2 repressed germination and affected adherence to epithelium (P ≤ 0.05). The tested halogenated methyl sulfones interfered with the adhesion of Candida albicans cells to the epithelial tissues, without affecting their viability after 90 min of incubation. The mode of action of the halogenated methyl sulfones was attributed to the reduced virulence of C. albicans. SAP5 and SAP6 contribute to halogenated methyl sulfones resistance. Thus, halogenated methyl sulfones can inhibit biofilm formation due to their interference with adherence and with the yeast-to-hyphae transition.

  10. Ethane ignition and oxidation behind reflected shock waves

    SciTech Connect

    de Vries, Jaap; Hall, Joel M.; Simmons, Stefanie L.; Kalitan, Danielle M.; Petersen, Eric L.; Rickard, Matthew J.A.

    2007-07-15

    Several diluted C{sub 2}H{sub 6}/O{sub 2}/Ar mixtures of varying concentrations and equivalence ratios (0.5<{phi}<2.0) were studied at temperatures between 1218 and 1860 K and at pressures between 0.57 and 3.0 atm using a shock tube. The argon dilution ranged from 91 to 98% by volume. Reaction progress was monitored using chemiluminescence emission from OH{sup *} and CH{sup *} at 307 and 431 nm, respectively. The dependence of ignition delay time on temperature, activation energy, and reactant concentrations is given in a master correlation of all the experimental data. The overall activation energy was found to be 39.6 kcal/mol over the range of conditions studied. For the first time in a shock-tube C{sub 2}H{sub 6} oxidation study, detailed species profile data and quantitative OH{sup *} time histories were documented, in addition to ignition delay times, and compared against modern detailed mechanisms. Because of the comprehensive scope of the present study and the high precision of the experimental data, several conclusions can be drawn that could not have been reached from earlier studies. Although there is some discrepancy among previous ethane oxidation data, the present work clearly shows the convergence of ignition delay time measurements to those herein and the remarkable accuracy of current kinetics models over most of the parameter space explored, despite the variation in the literature data. However, two areas shown to still need more measurements and better modeling are those of higher pressures and fuel-rich ethane-air mixtures. After appropriate OH{sup *} and CH{sup *} submechanisms are added, two modern chemical kinetics mechanisms containing high-temperature ethane chemistry are compared to the data to gauge the current state of C{sub 2}H{sub 6} oxidation modeling over the conditions of this study. The reproduction of the OH{sup *} and CH{sup *} profiles, together with {tau}{sub ign} predictions by these models, are compared against the profiles

  11. Waterflooding employing mixtures of sulfonate surfactants

    SciTech Connect

    Savins, J.G.; Waite, J.M.; Burdyn, R.F.

    1980-11-04

    A new waterflooding process is described in which at least a portion of the injected fluid comprises a viscous aqueous liquid having a monovalent salt salinity within the range of 1.5 to 4.0% by wt and containing first and second sulfonate surfactants. The first surfactant is a petroleum sulfonate having a relatively broad molecular weight distribution and the second surfactant is a synthetic alkyl or alkylaryl sulfonate having a molecular weight distribution narrower than that of the first surfactant. The first and second surfactants are present in the aqueous liquid in relative amounts such that the ratio of the concentration of the first surfactant to the concentration of the second surfactant is within the range of 1:3 to 1:1. The thickened aqueous liquid containing the above described multicomponent surfactant system also contains a water-soluble C3-C6 aliphatic alcohol. 11 claims.

  12. Simulation study of sulfonate cluster swelling in ionomers

    NASA Astrophysics Data System (ADS)

    Allahyarov, Elshad; Taylor, Philip L.; Löwen, Hartmut

    2009-12-01

    We have performed simulations to study how increasing humidity affects the structure of Nafion-like ionomers under conditions of low sulfonate concentration and low humidity. At the onset of membrane hydration, the clusters split into smaller parts. These subsequently swell, but then maintain constant the number of sulfonates per cluster. We find that the distribution of water in low-sulfonate membranes depends strongly on the sulfonate concentration. For a relatively low sulfonate concentration, nearly all the side-chain terminal groups are within cluster formations, and the average water loading per cluster matches the water content of membrane. However, for a relatively higher sulfonate concentration the water-to-sulfonate ratio becomes nonuniform. The clusters become wetter, while the intercluster bridges become drier. We note the formation of unusual shells of water-rich material that surround the sulfonate clusters.

  13. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkylbenzene sulfonate, amine salt... Substances § 721.1625 Alkylbenzene sulfonate, amine salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as alkylbenzene sulfonate,...

  14. 40 CFR 721.10035 - Alkylbenzene sulfonate (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkylbenzene sulfonate (generic). 721... Substances § 721.10035 Alkylbenzene sulfonate (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as alkylbenzene sulfonate...

  15. 40 CFR 721.10035 - Alkylbenzene sulfonate (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkylbenzene sulfonate (generic). 721... Substances § 721.10035 Alkylbenzene sulfonate (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as alkylbenzene sulfonate...

  16. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkylbenzene sulfonate, amine salt... Substances § 721.1625 Alkylbenzene sulfonate, amine salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as alkylbenzene sulfonate,...

  17. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Trifluoromethane sulfonic acid. 173.395 Section... HUMAN CONSUMPTION Specific Usage Additives § 173.395 Trifluoromethane sulfonic acid. Trifluoromethane sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst...

  18. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Polyphenylene sulfone resins. 177.2500 Section 177... Components of Articles Intended for Repeated Use § 177.2500 Polyphenylene sulfone resins. The polyphenylene sulfone resins (CAS Reg. No. 31833-61-1) identified in paragraph (a) of this section may be safely used...

  19. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Polyphenylene sulfone resins. 177.2500 Section 177... Components of Articles Intended for Repeated Use § 177.2500 Polyphenylene sulfone resins. The polyphenylene sulfone resins (CAS Reg. No. 31833-61-1) identified in paragraph (a) of this section may be safely used...

  20. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Trifluoromethane sulfonic acid. 173.395 Section... HUMAN CONSUMPTION Specific Usage Additives § 173.395 Trifluoromethane sulfonic acid. Trifluoromethane sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst...

  1. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Trifluoromethane sulfonic acid. 173.395 Section... HUMAN CONSUMPTION Specific Usage Additives § 173.395 Trifluoromethane sulfonic acid. Trifluoromethane sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst...

  2. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Alkylbenzene sulfonate, amine salt... Substances § 721.1625 Alkylbenzene sulfonate, amine salt. Link to an amendment published at 79 FR 34636, June... substance identified generically as alkylbenzene sulfonate, amine salt (PMN P-90-456) is subject...

  3. Adsorptive separation of ethylene/ethane mixtures using carbon nanotubes: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Tian, Xingling; Wang, Zhigang; Yang, Zaixing; Xiu, Peng; Zhou, Bo

    2013-10-01

    Ethylene/ethane separation is a very important process in the chemical industry. Traditionally, this process is achieved by cryodistillation, which is extremely energy-intensive. The adsorptive separation is an energy-saving and environmentally benign alternative. In this study, we employ molecular dynamics simulations to study the competitive adsorption of an equimolar mixture of gaseous ethane and ethylene inside single-walled carbon nanotubes (SWNTs) of different diameters at room temperature. We find that for narrow SWNTs, i.e. the (6, 6) and (7, 7) SWNTs, the selectivities towards ethane, fselec, can reach values of 3.1 and 3.7, respectively. Such high selectivities are contrary to the opinion of many researchers that the adsorptive separation of an ethylene/ethane mixture by means of dispersion interaction is difficult due to the same carbon number of ethane and ethylene. The key for our observation is that the role of dispersion interaction of ethane's additional two hydrogen atoms with the SWNT becomes significant under extreme confinement. Interestingly, the (8, 8) SWNT prefers ethylene to ethane with fselec = 0.6. For wider SWNTs, fselec converges to ∼1. The mechanisms behind these observations, as well as the kinetics of single-file nanopore filling and kinetics of confined gas molecules are discussed. Our findings suggest that efficient ethane/ethylene separation can be achieved by using bundles/membranes of SWNTs with appropriate diameters.

  4. 40 CFR 721.10265 - Ethane, 2-bromo-1, 1-difluoro-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10265 Ethane, 2-bromo-1, 1-difluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 2-bromo-1,1-difluoro-. (PMN...

  5. Solubilities of ethane in aqueous solutions of sodium dodecyl sulfate at elevated pressures

    SciTech Connect

    Li, P.; Han, B.; Yan, H.; Liu, R.

    1995-10-01

    The solubilities of ethane in aqueous solutions of sodium dodecyl sulfate (SDS) were measured at 313.15 K and at pressures up to 3 MPa. The molalities of SDS (m{sub SDS}) in the aqueous solution were 0.0000, 0.0020, 0.0040, 0.0060, 0.0070, 0.0080, 0.0090, 0.0100, 0.0126, 0.0150, 0.0200, and 0.0300. The effect of SDS on the gas solubility in both concentration regions below and above the critical micelle concentration (cmc) was studied. The existence of the micelles of SDS in the solution is favorable to the dissolution of ethane due to the hydrocarbon-like interior of the micelles. The solubilities of ethane in each micelle at different pressures were evaluated based on some assumptions. It was found that the intramicellar solubility of ethane is less than that of the gas in n-dodecane. It was also found that the solubility of ethane in the micelles increases linearly with the partial pressure of ethane. The cmc of SDS was evaluated based on the solubility vs m{sub SDS} curves and the effect of dissolved ethane on the cmc was studied. It was observed that the cmc shifts toward a higher value with the increase in dissolved ethane.

  6. Bacterial ethane formation from reduced, ethylated sulfur compounds in anoxic sediments

    USGS Publications Warehouse

    Oremland, R.S.; Whiticar, Michael J.; Strohmaier, F.E.; Kiene, R.P.

    1988-01-01

    Trace levels of ethane were produced biologically in anoxic sediment slurries from five chemically different aquatic environments. Gases from these locations displayed biogenic characteristics, having 12C-enriched values of ??13CH4 (-62 to -86%.), ??13C2H6 (-35 to -55%.) and high ratios (720 to 140,000) of CH4 [C2H6 + C3H8]. Endogenous production of ethane by slurries was inhibited by autoclaving or by addition of the inhibitor of methanogenic bacteria, 2-bromoethanesulfonic acid (BES). Ethane formation was stimulated markedly by ethanethiol (ESH), and, to a lesser extent, by diethylsulfide (DES). Formation of methane and ethane in ESH- or DES-amended slurries was blocked by BES. Experiments showed that ethionine (or an analogous compound) could be a precursor of ESH. Ethylamine or ethanol additions to slurries caused only a minor stimulation of ethane formation. Similarly, propanethiol additions resulted in only a minor enhancement of propane formation. Cell suspensions of a methyltrophic methanogen produced traces of ethane when incubated in the presence of DES, although the organism did not grow on this compound. These results indicate that methanogenic bacteria produce ethane from the traces of ethylated sulfur compounds present in recent sediments. Preliminary estimates of stable carbon isotope fractionation associated with sediment methane formation from dimethylsulfide was about 40%., while ethane formation from DES and ESH was only 4. 6 and 6.5%., respectively. ?? 1988.

  7. Availability of Canadian imports to meet U.S. demand for ethane, propane and butane

    SciTech Connect

    Hawkins, D.J.

    1996-12-31

    Historically, Canada has had a surplus of ethane, propane and butane. Almost all of the available propane and butane in Canadian natural gas streams is recovered. While there is significant ethane recovery in Canada, ethane that cannot be economically sold is left in the gas streams. All of the surplus Canadian ethane and most of the Canadian surplus propane and butane is exported to the US. Some volumes of Canadian propane and butane have been moved offshore by marine exports to the Asia-Pacific region or South America, or directly to Mexico by rail. Essentially all of the Canadian ethane, 86% of the propane and 74% of the butane are recovered by gas processing. Canadian natural gas production has increased significantly over the last 10 years. Canadian gas resources in the Western Canadian Sedimentary Basin should permit further expansion of gas exports, and several gas pipeline projects are pending to expand the markets for Canadian gas in the US. The prospective increase in Canadian gas production will yield higher volumes of ethane, propane and butane. While there is a potential to expand domestic markets for ethane, propane and butane, a significant part of the incremental production will move to export markets. This paper provides a forecast of the expected level of ethane, propane and butane exports from Canada and discusses the supply, demand and logistical developments which may affect export availability from Canada.

  8. Leaching of Br-, metolachlor, alachlor, atrazine, deethylatrazine and deisopropylatrazine in clayey vadoze zone: a field scale experiment in north-east Greece.

    PubMed

    Vryzas, Zisis; Papadakis, Emmanuel Nikolaos; Papadopoulou-Mourkidou, E

    2012-04-15

    An extensive four-year research program has been carried out to explore and acquire knowledge about the fundamental agricultural practices and processes affecting the mobility and bioavailability of pesticides in soils under semi-arid Mediterranean conditions. Pesticide leaching was studied under field conditions at five different depths using suction cups. Monitoring of metolachlor, alachlor, atrazine, deethylatrazine (DEA), deisopropylatrazine (DIA), and bromide ions in soil water, as well as dye patterns made apparent the significant role of preferential flow to the mobility of the studied compounds. Irrespective to their adsorption capacities and degradation rates, atrazine, metolachlor and bromide ions were simultaneously detected to 160 cm depth. Following 40 mm irrigation, just after their application, both alachlor and atrazine were leached to 160 cm depth within 18 h, giving maximum concentrations of 211 and 199 μg L(-1), respectively. Metolachlor was also detected in all depth when its application was followed by a rainfall event (50 mm) two weeks after its application. The greatest concentrations of atrazine, alachlor and metolachlor in soil water were 1795, 1166 and 845 μg L(-1), respectively. The greatest concentrations of atrazine's degradation products (both DEA and DIA) appeared later in the season compared to the parent compound. Metolachlor exhibited the greatest persistence with concentrations up to 10 μg L(-1) appearing in soil water 18 months after its application. Brilliant blue application followed by 40 mm irrigation clearly depict multi-branching network of preferential flow paths allowing the fast flow of the dye down to 150 cm within 24 h. This network was created by soil cracks caused by shrinking of dry soils, earthworms and plant roots. Chromatographic flow of the stained soil solution was evident only in the upper 10-15 cm of soil. PMID:22325931

  9. Fugitive emissions from the Bakken shale illustrate role of shale production in global ethane shift

    NASA Astrophysics Data System (ADS)

    Kort, E. A.; Smith, M. L.; Murray, L. T.; Gvakharia, A.; Brandt, A. R.; Peischl, J.; Ryerson, T. B.; Sweeney, C.; Travis, K.

    2016-05-01

    Ethane is the second most abundant atmospheric hydrocarbon, exerts a strong influence on tropospheric ozone, and reduces the atmosphere's oxidative capacity. Global observations showed declining ethane abundances from 1984 to 2010, while a regional measurement indicated increasing levels since 2009, with the reason for this subject to speculation. The Bakken shale is an oil and gas-producing formation centered in North Dakota that experienced a rapid increase in production beginning in 2010. We use airborne data collected over the North Dakota portion of the Bakken shale in 2014 to calculate ethane emissions of 0.23 ± 0.07 (2σ) Tg/yr, equivalent to 1-3% of total global sources. Emissions of this magnitude impact air quality via concurrent increases in tropospheric ozone. This recently developed large ethane source from one location illustrates the key role of shale oil and gas production in rising global ethane levels.

  10. Fugitive Emissions from the Bakken Shale Illustrate Role of Shale Production in Global Ethane Shift

    NASA Technical Reports Server (NTRS)

    Kort, E. A.; Smith, M. L.; Murray, L. T.; Gvakharia, A.; Brandt, A. R.; Peischl, J.; Ryerson, T. B.; Sweeney, C.; Travis, K.

    2016-01-01

    Ethane is the second most abundant atmospheric hydrocarbon, exerts a strong influence on tropospheric ozone, and reduces the atmosphere's oxidative capacity. Global observations showed declining ethane abundances from 1984 to 2010, while a regional measurement indicated increasing levels since 2009, with the reason for this subject to speculation. The Bakken shale is an oil and gas-producing formation centered in North Dakota that experienced a rapid increase in production beginning in 2010. We use airborne data collected over the North Dakota portion of the Bakken shale in 2014 to calculate ethane emissions of 0.23 +/- 0.07 (2 sigma) Tg/yr, equivalent to 1-3% of total global sources. Emissions of this magnitude impact air quality via concurrent increases in tropospheric ozone. This recently developed large ethane source from one location illustrates the key role of shale oil and gas production in rising global ethane levels.

  11. Perfluorooctane sulfonate (PFOS) depletion in beef cattle

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Perfluorooctane sulfonate (PFOS) is an industrial chemical that is used as a surfactant in several manufactured consumer products but is also a breakdown product from other chemical surfactants. As a result of its extensive use, PFOS is ubiquitous in the environment and is often detected in biosoli...

  12. Phase Behavior of Symmetric Sulfonated Block Copolymers

    SciTech Connect

    Park, Moon Jeong; Balsara, Nitash P.

    2008-08-21

    Phase behavior of poly(styrenesulfonate-methylbutylene) (PSS-PMB) block copolymers was studied by varying molecular weight, sulfonation level, and temperature. Molecular weights of the copolymers range from 2.9 to 117 kg/mol. Ordered lamellar, gyroid, hexagonally perforated lamellae, and hexagonally packed cylinder phases were observed in spite of the fact that the copolymers are nearly symmetric with PSS volume fractions between 0.45 and 0.50. The wide variety of morphologies seen in our copolymers is inconsistent with current theories on block copolymer phase behavior such as self-consistent field theory. Low molecular weight PSS-PMB copolymers (<6.2 kg/mol) show order-order and order-disorder phase transitions as a function of temperature. In contrast, the phase behavior of high molecular weight PSS-PMB copolymers (>7.7 kg/mol) is independent of temperature. Due to the large value of Flory-Huggins interaction parameter, x, between the sulfonated and non-sulfonated blocks, PSS-PMB copolymers with PSS and PMB molecular weights of 1.8 and 1.4 kg/mol, respectively, show the presence of an ordered gyroid phase with a 2.5 nm diameter PSS network. A variety of methods are used to estimate x between PSS and PMB chains as a function of sulfonation level. Some aspects of the observed phase behavior of PSS-PMB copolymers can be rationalized using x.

  13. Sulfonated Polymerized Ionic Liquid Block Copolymers.

    PubMed

    Meek, Kelly M; Elabd, Yossef A

    2016-07-01

    The successful synthesis of a new diblock copolymer, referred to as sulfonated polymerized ionic liquid (PIL) block copolymer, poly(SS-Li-b-AEBIm-TFSI), is reported, which contains both sulfonated blocks (sulfonated styrene: SS) and PIL blocks (1-[(2-acryloyloxy)ethyl]-3-butylimidazolium: AEBIm) with both mobile cations (lithium: Li(+) ) and mobile anions (bis(trifluoromethylsulfonyl)imide: TFSI(-) ). Synthesis consists of polymerization via reversible addition-fragmentation chain transfer, followed by post-functionalization reactions to covalently attach the imidazolium cations and sulfonic acid anions to their respective blocks, followed by ion exchange metathesis resulting in mobile Li(+) cations and mobile TFSI(-) anions. Solid-state films containing 1 m Li-TFSI salt dissolved in ionic liquid result in an ion conductivity of >1.5 mS cm(-1) at 70 °C, where small-angle X-ray scattering data indicate a weakly ordered microphase-separated morphology. These results demonstrate a new ion-conducting block copolymer containing both mobile cations and mobile anions. PMID:27125600

  14. 21 CFR 573.600 - Lignin sulfonates.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food... accordance with the following prescribed conditions: (a) For the purpose of this section, the food additive... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Lignin sulfonates. 573.600 Section 573.600...

  15. 21 CFR 573.600 - Lignin sulfonates.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food... accordance with the following prescribed conditions: (a) For the purpose of this section, the food additive... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Lignin sulfonates. 573.600 Section 573.600...

  16. 21 CFR 573.600 - Lignin sulfonates.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food... accordance with the following prescribed conditions: (a) For the purpose of this section, the food additive... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Lignin sulfonates. 573.600 Section 573.600...

  17. Toxicity of pyrolysis gases from polyether sulfone

    NASA Technical Reports Server (NTRS)

    Hilado, C. J.; Olcomendy, E. M.

    1979-01-01

    A sample of polyether sulfone was evaluated for toxicity of pyrolysis gases, using the toxicity screening test method developed at the University of San Francisco. Animal response times were relatively short at pyrolysis temperatures of 600 to 800 C, with death occurring within 6 min. The principal toxicant appeared to be a compound other than carbon monoxide.

  18. Properties of polypyrrole doped with alkylbenzene sulfonates

    NASA Astrophysics Data System (ADS)

    Bay, Lasse; Skaarup, Steen; West, Keld; Mazur, Tanja; Joergensen, Ole; Rasmussen, Helle D.

    2001-07-01

    Conducting polymers such as polypyrrole (PPy) doped with large anionic detergents have high stability in aqueous systems. PPy can be reversibly oxidised and reduced electrochemically. The redox change of PPy is accompanied by a change in volume of the polymer. This is partly ascribed to take-up of ions and solvent molecules. This volume change can be used as a polymer actuator (artificial muscle) working in a narrow voltage range (less than 1 V). The properties of the PPy polymer are largely determined by the dopant ions and also by the deposition conditions and the substrate. A free-standing 10 micrometers thick film is prepared electrochemically at a constant current from an aqueous solution of pyrrole and sodium alkylbenzene sulfonate. The mechanical properties of the film (tensile strength and Young's modulus) and the reversible linear elongation between the oxidised and reduced states are measured. Alkylbenzene sulfonates with alkyl chain lengths between 1 and 22 carbon atoms are used as dopant anion. The films made with the different anions have highly different properties and are here compared to outline the influence of the size of the anion. A maximum in linear elongation is found for p-(n-octyl)benzene sulfonate and in conductivity for p-(n-butyl)benzene sulfonate.

  19. Ionization of ethane, butane, and octane in strong laser fields

    SciTech Connect

    Palaniyappan, Sasi; Mitchell, Rob; Ekanayake, N.; Watts, A. M.; White, S. L.; Sauer, Rob; Howard, L. E.; Videtto, M.; Mancuso, C.; Wells, S. J.; Stanev, T.; Wen, B. L.; Decamp, M. F.; Walker, B. C.

    2010-10-15

    Strong-field photoionization of ethane, butane, and octane are reported at intensities from 10{sup 14} to 10{sup 17} W/cm{sup 2}. The molecular fragment ions, C{sup +} and C{sup 2+}, are created in an intensity window from 10{sup 14} to 10{sup 15} W/cm{sup 2} and have intensity-dependent yields similar to the molecular fragments C{sub m}H{sub n}{sup +} and C{sub m}H{sub n}{sup 2+}. In the case of C{sup +}, the yield is independent of the molecular parent chain length. The ionization of more tightly bound valence electrons in carbon (C{sup 3+} and C{sup 4+}) has at least two contributing mechanisms, one influenced by the parent molecule size and one resulting from the tunneling ionization of the carbon ion.

  20. Solubilities of tetracosane, octacosane, and dotriacontane in supercritical ethane

    SciTech Connect

    Kalaga, A.; Trebble, M.

    1997-03-01

    The solubilities of tetracosane, octacosane, and dotriacontane in ethane were determined at a temperature of 308.15 K and at pressures ranging from 50 bar to 200 bar. A dynamic single-pass flow system was used for this purpose. The extracted solute was dissolved in toluene after depressurizing the supercritical mixture. This method of measuring the solubilities facilitates the collection of dynamic solubility data since the concentration of solute in toluene can be determined as the experiment proceeds. Dynamic sampling provides more reliable and accurate solubility information compared to the conventional methods based on the weight of solute extracted. The experimental solubilities measured in this work are in agreement with most of the previously published data.The solubilities obtained in this work were modeled using the translated Trebble-Bishnoi-Salim (TBS) EOS which correlated the solubility data successfully to within an average error of 6% for all the systems studied.

  1. Mid-Infrared Ethane Emission on Neptune: 2005-2009

    NASA Astrophysics Data System (ADS)

    Hammel, Heidi B.; Sitko, M. L.; Russell, R. W.; Lynch, D. K.; Bernstein, L. S.; Perry, R. B.

    2009-09-01

    Hammel et al. (2006, ApJ 644, 1326) reported 8- to 13-micron spectral observations of Neptune spanning more than a decade. Those data indicated a steady increase in Neptune's 12-micron atmospheric ethane emission from 1985 to 2003, followed by a slight decrease in 2004. The simplest explanation for the intensity variation was an increase in stratospheric effective temperature from 155 K in 1985 to 176 K in 2003 (an average rate of 1.2 K/year), and subsequent decrease to 165 K in 2004 (uncertainties +/- 3 K). Later disk-resolved 12-micron images (Hammel et al. 2007, AJ 134, 637; Orton et al. 2007, AA 473, L5) showed Neptune's ethane emission arose mainly from two regions: emission distributed nearly uniformly around the planet's limb and emission near the south pole. Because much of the non-limb emission was confined to the near-polar region, seasonal variation may play some role in the long-term mid-infrared brightness variations: i.e., more of that region was revealed as Neptune neared solstice in 2005. We will report the results of an additional half decade of mid-infrared spectroscopic observations, from 2005 through 2009, using the Broadband Array Spectrograph System on the NASA Infrared Telescope Facility (IRTF). These post-solstice data should elucidate whether the variations are intrinsic, or due to changes in viewing angle. HBH acknowledges support from NASA grants NNX06AD12G and NNA07CN65A. This work was supported at The Aerospace Corporation by the Independent Research and Development Program. LSB acknowledges the support of Spectral Sciences, Inc. IR and D funding. We also gratefully acknowledge D. Kim (The Aerospace Corporation) for BASS technical support, as well as the support of IRTF staff and telescope operators. We recognize the significant cultural role of Mauna Kea within the indigenous Hawaiian community, and we appreciate the opportunity to conduct observations from this revered site.

  2. Microbial Oxidation of Ethane within Seep Sediment at Coal Oil Point, Santa Barbara, CA

    NASA Astrophysics Data System (ADS)

    Mendes, S. D.; Duncombe, R.; Scarlett, R. D.; Shaffer, J.; Lensch, S.; Valentine, D. L.

    2013-12-01

    The hydrocarbon seep field at Coal Oil Point (COP), off the coast of Santa Barbara, California, releases more than 10^10 g of thermogenic natural gas each year. Only a fraction of this methane, ethane, propane, and butane reaches the atmosphere, and is instead consumed by marine microbes in both the sediment and water column. Bacterial respiration of these gases has been observed in aerobic and anaerobic conditions, with the exception of ethane (aerobic only) (Kniemeyer et. al 2007). This work seeks to quantify the rate of ethane oxidation (both aerobic and anaerobic) in marine sediment. A series of experiments, to be conducted using COP seep sediment aboard the R/V Atlantis in October 2013, will test how varying oxygen conditions impact ethane oxidation rate. Oxidation rates will be quantified using sensitive 3H-ethane tracers. Preliminary data from Shane's Seep, located within the COP seep field, indicates that ethane oxidation is restricted to the top 6 cm of sediment. This suggests that oxygen is a limiting factor, but further work is needed to establish if ethane oxidation is restricted to exclusively aerobic environments.

  3. Development of open-path interband cascade laser-based ethane sensor

    NASA Astrophysics Data System (ADS)

    Golston, L.; Pan, D.; Caulton, D.; Tao, L.; Zondlo, M. A.

    2015-12-01

    We present development of an open-path, fast response, laser spectrometer for sensing atmospheric ethane on ground-based and mobile laboratory platforms. A 3336.8 nm interband cascade laser probes a fundamental infrared absorption band for sensitivity to ethane under ambient conditions, as enabled by employing wavelength modulation spectroscopy. Simultaneous measurement of methane on an adjacent line corrects for cross-sensitivity with ethane in the air-broadened second harmonic spectrum. The sensor has an average power consumption of 20 W with an optical pathlength of 60 m and has been mounted alongside CO2 and CH4 analyzers on our mobile laboratory. With a noise equivalent absorbance of 2 x 10-5, precision and sensitivity are expected to be better than 1 ppbv, comparable to background levels away from localized ethane sources. Results are presented using the sensor for identification of fugitive methane leakage from natural gas production in the Marcellus Shale, helping to exclude other potentially collocated sources including wetlands and small-scale animal feeding operations. Ethane is applied as a highly effective tracer for distinguishing biologically produced methane from the thermogenic methane of interest. For medium- to high- emitting wells, we also obtain information about natural gas composition. Finally, performance of the instrument for measuring ethane and methane under varying regimes (enhancement over ambient atmospheric levels, methane/ethane ratios) is discussed along with future applications enabled by the reduced power and weight specifications and 10 Hz time response.

  4. Highly branched sulfonated poly(fluorenyl ether ketone sulfone)s membrane for energy efficient vanadium redox flow battery

    NASA Astrophysics Data System (ADS)

    Yin, Bibo; Li, Zhaohua; Dai, Wenjing; Wang, Lei; Yu, Lihong; Xi, Jingyu

    2015-07-01

    A series of highly branched sulfonated poly (fluorenyl ether ketone sulfone)s (HSPAEK) are synthesized by direct polycondensation reactions. The HSPAEK with 8% degree of branching is further investigated as membrane for vanadium redox flow battery (VRFB). The HSPAEK membrane prepared by solution casting method exhibits smooth, dense and tough morphology. It possesses very low VO2+ permeability and high ion selectivity compared to those of Nafion 117 membrane. When applied to VRFB, this novel membrane shows higher coulombic efficiency (CE, 99%) and energy efficiency (EE, 84%) than Nafion 117 membrane (CE, 92% and EE, 78%) at current density of 80 mA cm-2. Besides, the HSPAEK membrane shows super stable CE and EE as well as excellent discharge capacity retention (83%) during 100 cycles life test. After being soaked in 1.5 mol L-1 VO2+ solution for 21 days, the weight loss of HSPAEK membrane and the amount of VO2+ reduced from VO2+ are only 0.26% and 0.7%, respectively, indicating the superior chemical stability of the membrane.

  5. Spectra of Ethane in he Droplets in the 3 μm Range

    NASA Astrophysics Data System (ADS)

    Gomez, Luis; Loginov, Evgeniy; Skvortsov, Dmitry; Hoshina, Hiromichi; Vilesov, Andrey F.

    2010-06-01

    The infrared spectra of ethane molecules embedded in He droplets have been studied via depletion spectroscopy in the ν = 2880-3000 cm-1 spectral range. Four features observed in the spectra are assigned as the ν5, ν8+11(perpendicular and parallel components), and ν7 vibrational bands. Band origins and rotational constants for ethane in He are obtained and compared with corresponding gas phase values. Spectra of large ethane clusters (C2H6)_n} (with n = 1300-13000) in He are also reported.

  6. Morphologies in Sulfonated Styrenic Pentablock Copolymer Membranes

    NASA Astrophysics Data System (ADS)

    Choi, Jae-Hong; Bramson, Matt; Winey, Karen I.

    2010-03-01

    Membranes of pentablock and triblock copolymers consisting of poly(tert-butyl styrene) (TBS), hydrogenated polyisoprene (HI), and partially sulfonated poly(styrene-ran-styrene sulfonate) (SS) were studied using small angle X-ray scattering (SAXS) and transmission electron microscopy (TEM). The TBS-HI-SS-HI-TBS pentablock and TBS-HI-SS triblock copolymer membranes exhibit anisotropic microphase separated morphologies. Because the pentablock and triblock copolymers can be expected to have complex morphologies, thermal annealing was conducted to promote well-defined morphologies. The annealed membranes exhibit stronger peaks and more high order reflections in SAXS patterns, as well as better defined microstructures in the TEM. Electron microcopy studies with various staining protocols are underway to establish the morphology of the pentablock copolymer membranes including the size and shape of the three microdomains (TBS, HI and SS). We gratefully acknowledge Kraton Polymers, Inc. for materials.

  7. Sorption of sodium dodecylbenzene sulfonate by montmorillonite.

    PubMed

    Yang, Kun; Zhu, Lizhong; Xing, Baoshan

    2007-01-01

    Sorption of linear alkylbenzene sulfonates by soils and sediments is an important process that may affect their fate, transport, toxicity and their application in remediation of contaminated soil and groundwater. In this study, batch experiments were conducted to elucidate the sorption of a widely used anionic surfactant, sodium dodecylbenzene sulfonate (SDBS), by montmorillonite. It was observed that: (i) SDBS was sorbed significantly by montmorillonite saturated with Ca(2+), but little by Na-saturated montmorillonite; (ii) the amount of SDBS sorbed by Ca(2+)-montmorillonite was enhanced by NaCl; and (iii) no significant intercalation of SDBS into Ca(2+)-montmorillonite was observed by X-ray diffraction (XRD) analysis. These results indicate that the removal of SDBS by Ca(2+)-montmorillonite was primarily attributed to the precipitation between DBS(-) and Ca(2+) in solution which was released from montmorillonite via cation exchange. These results will help us to understand the sorption behavior and environmental effects of anionic surfactants. PMID:16759775

  8. Sorption of sodium dodecylbenzene sulfonate by montmorillonite.

    PubMed

    Yang, Kun; Zhu, Lizhong; Xing, Baoshan

    2007-01-01

    Sorption of linear alkylbenzene sulfonates by soils and sediments is an important process that may affect their fate, transport, toxicity and their application in remediation of contaminated soil and groundwater. In this study, batch experiments were conducted to elucidate the sorption of a widely used anionic surfactant, sodium dodecylbenzene sulfonate (SDBS), by montmorillonite. It was observed that: (i) SDBS was sorbed significantly by montmorillonite saturated with Ca(2+), but little by Na-saturated montmorillonite; (ii) the amount of SDBS sorbed by Ca(2+)-montmorillonite was enhanced by NaCl; and (iii) no significant intercalation of SDBS into Ca(2+)-montmorillonite was observed by X-ray diffraction (XRD) analysis. These results indicate that the removal of SDBS by Ca(2+)-montmorillonite was primarily attributed to the precipitation between DBS(-) and Ca(2+) in solution which was released from montmorillonite via cation exchange. These results will help us to understand the sorption behavior and environmental effects of anionic surfactants.

  9. Phase behavior of simple salt tolerant sulfonates

    SciTech Connect

    Barakat, Y.; Fortney, L.N.; Lalanne-Cassou, C.; Schechter, R.S.; Wade, W.H.; Yiv, S.H.

    1982-01-01

    Alkane and /alpha/-olefin sulfonates can be utilized to produce optimal microemulsion formulations which have very high salinity (including divalent ion) tolerance while maintaining large solubilization parameters and low interfacial tensions. Such molecules require elevated temperatures or higher alcohol concentrations to suppress liquid crystal formulation. As found for other species, solubilization is inversely related to width of the three phase regime, and interfacial tension and solubilization are strongly coupled. 18 refs.

  10. Phase behavior of simple salt tolerant sulfonates

    SciTech Connect

    Barakat, Y.; Fortney, L.N.; Lalanne-Cassou, C.; Schechter, R.S.; Wade, W.H.; Yiv, S.H.

    1982-01-01

    Alkane and ..cap alpha..-olefin sulfonates can be utilized to produce optimal microemulsion formulations which have very high salinity (including divalent ion) tolerance while maintaining large solubilization parameters and low interfacial tensions. Such molecules require elevated temperatures or higher alcohol concentrations to suppress liquid crystal formation. As found for other species, solubilization is inversely related to width of the three phase regime, and interfacial tension and solubilization are strongly coupled.

  11. High Lipophilicty of Perfluoroalkyl Carboxylate and Sulfonate

    PubMed Central

    Jing, Ping; Rodgers, Patrick J.; Amemiya, Shigeru

    2009-01-01

    Here we report on remarkably high lipophilicity of perfluoroalkyl carboxylate and sulfonate. A lipophilic nature of this emerging class of organic pollutants has been hypothesized as an origin of their bioaccumulation and toxicity. Both carboxylate and sulfonate, however, are considered hydrophilic while perfluroalkyl groups are not only hydrophobic but also oleophobic. Partition coefficients of homologous series of perfluoroalkyl and alkyl carboxylates between water and n-octanol were determined as a measure of their lipophilicity by ion-transfer cyclic voltammetry. Very similar lipophilicity of perfluoroalkyl and alkyl chains with the same length is demonstrated experimentally for the first time by fragment analysis of the partition coefficients. This finding is important for pharmaceutical and biomedical applications of perfluoroalkyl compounds. Interestingly, ∼2 orders of magnitude higher lipophilicity of a perfluoroalkyl carboxylate or sulfonate in comparison to its alkyl counterpart is ascribed nearly exclusively to their oxoanion groups. The higher lipophilicity originates from a strong electron-withdrawing effect of the perfluoroalkyl group on the adjacent oxoanion group, which is weakly hydrated to decrease its hydrophilicity. In fact, the inductive effect is dramatically reduced for a fluorotelomer with an ethylene spacer between perfluorohexyl and carboxylate groups, which is only as lipophilic as its alkyl counterpart, nonanoate, and is 400 times less lipophilic than perfluorononanoate. The high lipophilicity of perfluoroalkyl carboxylate and sulfonate implies that their permeation across such a thin lipophilic membrane as a bilayer lipid membrane is limited by their transfer at a membrane/water interface. The limiting permeability is lower and less dependent on their lipophilicity than the permeability controlled by their diffusion in the membrane interior as assumed in the classical solubility-diffusion model. PMID:19170492

  12. Laboratory Studies of Ethane Ice Relevant to Outer Solar System Surfaces

    NASA Technical Reports Server (NTRS)

    Moore, Marla H.; Hudson, Reggie; Raines, Lily

    2009-01-01

    Oort Cloud comets, as well as TNOs Makemake (2045 FYg), Quaoar, and Pluto, are known to contain ethane. However, even though this molecule is found on several outer Solar System objects relatively little information is available about its amorphous and crystalline phases. In new experiments, we have prepared ethane ices at temperatures applicable to the outer Solar System, and have heated and ion-irradiated these ices to study phase changes and ethane's radiation chemistry using mid-IR spectroscopy (2.2 - 16.6 microns). Included in our work is the meta-stable phase that exists at 35 - 55 K. These results, including newly obtained optical constants, are relevant to ground-based observational campaigns, the New Horizons mission, and supporting laboratory work. An improved understanding of solid-phase ethane may contribute to future searches for this and other hydrocarbons in the outer Solar System.

  13. Ethane adsorption on aggregates of dahlia-like nanohorns: experiments and computer simulations.

    PubMed

    Russell, Brice A; Migone, Aldo D; Petucci, Justin; Mercedes Calbi, M; Yudasaka, Masako; Iijima, Sumio

    2016-06-01

    This is a report on a study of the adsorption characteristics of ethane on aggregates of unopened dahlia-like carbon nanohorns. This sorbent presents two main groups of adsorption sites: the outside surface of individual nanohorns and deep, interstitial spaces between neighbouring nanohorns towards the interior of the aggregates. We have explored the equilibrium properties of the adsorbed ethane films by determining the adsorption isotherms and isosteric heat of adsorption. Computer simulations performed on different model structures indicate that the majority of ethane adsorption occurs on the outer region of the aggregates, near the ends of the nanohorns. We have also measured the kinetics of adsorption of ethane on this sorbent. The measurements and simulations were conducted along several isotherms spanning the range between 120 K and 220 K. PMID:27218414

  14. Preparation, characterization, and sequential transformation of dicarbide cluster compounds with permetalated ethyne, ethene, and ethane structures

    SciTech Connect

    Akita, Munetaka; Sugimoto, Shuichiro; Tanaka, Masako; Moro-oka, Yoshihiko

    1992-09-09

    The preparation, characterization and sequential transformation of dicarbide cluster compounds with permetalated ethyne, ethene and ethane structures is discussed. The group reporting has developed a preparative method for ethynediyldimetal complexes via deprotonation. 10 refs., 3 figs.

  15. a Hamiltonian to Obtain a Global Frequency Analysis of all the Vibrational Bands of Ethane

    NASA Astrophysics Data System (ADS)

    Moazzen-Ahmadi, Nasser; Norooz Oliaee, Jalal

    2016-06-01

    The interest in laboratory spectroscopy of ethane stems from the desire to understand the methane cycle in the atmospheres of planets and their moons and from the importance of ethane as a trace species in the terrestrial atmosphere. Solar decomposition of methane in the upper part of these atmospheres followed by a series of reactions leads to a variety of hydrocarbon compounds among which ethane is often the second most abundant species. Because of its high abundance, ethane spectra have been measured by Voyager and Cassini in the regions around 30, 12, 7, and 3 μm. Therefore, a complete knowledge of line parameters of ethane is crucial for spectroscopic remote sensing of planetary atmospheres. Experimental characterization of torsion-vibration states of ethane lying below 1400 cm-1 have been made previously, but extension of the Hamiltonian model for treatment of the strongly perturbed νb{8} fundamental and the complex band system of ethane in the 3 micron region requires careful examination of the operators for many new torsionally mediated vibration-rotation interactions. Following the procedures outlined by Hougen, we have re-examined the transformation properties of the total angular momentum, the translational and vibrational coordinates and momenta of ethane, and for vibration-torsion-rotation interaction terms constructed by taking products of these basic operators. It is found that for certain choices of phase, the doubly degenerate vibrational coordinates with and symmetry can be made to transform under the group elements in such a way as to yield real matrix elements for the torsion-vibration-rotation couplings whereas other choices of phase may require complex algebra. In this talk, I will discuss the construction of a very general torsion-vibration-rotation Hamiltonian for ethane, as well as the prospect for using such a Hamiltonian to obtain a global frequency analysis (based in large part on an extension of earlier programs and ethane fits^a from

  16. Electrodeposition and characterisation of polypyrroles containing sulfonated carbon nanotubes.

    PubMed

    Lynam, Carol; Wallace, Gordon G; Officer, David L

    2007-10-01

    Using facile diazonium chemistry, sulfonate groups have been covalently attached to single wall carbon nanotubes. The resulting sulfonated tubes form a stable aqueous dispersion in the presence of pyrrole monomer. Subsequent electropolymerisation results in a conductive, electroactive polypyrrole doped with sulfonated tubes being formed at unusually low potentials. The potential of this material as a host matrix for biomolecules has been demonstrated by entrapping horse-radish peroxidase directly in the polypyrrole during composite formation.

  17. Selective oxidation of ethane using the Au|YSZ|Ag electrochemical membrane system

    SciTech Connect

    Hamakawa, Satoshi; Sato, Koichi; Hayakawa, Takashi; York, A.P.E.; Tsunoda, Tatsuo; Suzuki, Kunio; Shimizu, Masao; Takehira, Katsuomi

    1997-01-01

    The catalytic conversion of ethane to acetaldehyde on an inert gold electrode has been studied using the electrochemical membrane reactor with yttria-stabilized zirconia (YSZ) solid electrolyte at 475 C. On applying a direct current to the reaction cell, 5% ethane in N{sub 2}, Au|YSZ|Ag, 100% O{sub 2}, acetaldehyde was formed and the formation rate increased linearly with increasing current. Selectivities to acetaldehyde and carbon dioxide were 45 and 55%, respectively. The addition of oxygen to the ethane-mixed gas in the anode space did not affect the acetaldehyde formation. The use of YSZ powder as a fixed bed catalyst under the mixed gas flow of ethane and oxygen at 450 to 600 C resulted in the formation of carbon monoxide, carbon dioxide, and ethene. Even the use of N{sub 2}O instead of oxygen resulted in no formation of acetaldehyde. Hence, it is likely that partial oxidation of ethane to acetaldehyde was carried out by the oxygen species transferred electrochemically through the YSZ which appeared at the gold-YSZ-gas triple-phase boundary. From the results of ethanol oxidation over the Au|YSZ|Ag system, the following mechanism was proposed: ethane is dehydrogenated to an ethyl radical, then converted to ethoxide, and finally to acetaldehyde by the oxygen species transferred through the YSZ.

  18. Long-term decline of global atmospheric ethane concentrations and implications for methane.

    PubMed

    Simpson, Isobel J; Sulbaek Andersen, Mads P; Meinardi, Simone; Bruhwiler, Lori; Blake, Nicola J; Helmig, Detlev; Rowland, F Sherwood; Blake, Donald R

    2012-08-23

    After methane, ethane is the most abundant hydrocarbon in the remote atmosphere. It is a precursor to tropospheric ozone and it influences the atmosphere's oxidative capacity through its reaction with the hydroxyl radical, ethane's primary atmospheric sink. Here we present the longest continuous record of global atmospheric ethane levels. We show that global ethane emission rates decreased from 14.3 to 11.3 teragrams per year, or by 21 per cent, from 1984 to 2010. We attribute this to decreasing fugitive emissions from ethane's fossil fuel source--most probably decreased venting and flaring of natural gas in oil fields--rather than a decline in its other major sources, biofuel use and biomass burning. Ethane's major emission sources are shared with methane, and recent studies have disagreed on whether reduced fossil fuel or microbial emissions have caused methane's atmospheric growth rate to slow. Our findings suggest that reduced fugitive fossil fuel emissions account for at least 10-21 teragrams per year (30-70 per cent) of the decrease in methane's global emissions, significantly contributing to methane's slowing atmospheric growth rate since the mid-1980s.

  19. C-12/C-13 Ratio in Ethane on Titan and Implications for Methane's Replenishment

    NASA Technical Reports Server (NTRS)

    Jennings, Donald E.; Romani, Paul N.; Bjoraker, Gordon L.; Sada, Pedro V.; Nixon, Conor A.; Lunsford, Allen W.; Boyle, Robert J.; Hesman, Brigette E.; McCabe, George H.

    2009-01-01

    The C-12/C-13 abundance ratio in ethane in the atmosphere of Titan has been measured at 822 cm(sup -1) from high spectral resolution ground-based observations. The value 89(8), coincides with the telluric standard and also agrees with the ratio seen in the outer planets. It is almost identical to the result for ethane on Titan found by the composite infrared spectrometer (CIRS) on Cassini. The C-12/C-13 ratio for ethane is higher than the ratio measured in atmospheric methane by Cassini/Huygens GCMS, 82.3(l), representing an enrichment of C-12 in the ethane that might be explained by a kinetic isotope effect of approximately 1.1 in the formation of methyl radicals. If methane is being continuously resupplied to balance photochemical destruction, then we expect the isotopic composition in the ethane product to equilibrate at close to the same C-12/C-13 ratio as that in the supply. The telluric value of the ratio in ethane then implies that the methane reservoir is primordial.

  20. Investigating model deficiencies in the global budget of ethane

    NASA Astrophysics Data System (ADS)

    Tzompa Sosa, Z. A.; Keller, C. A.; Turner, A. J.; Mahieu, E.; Franco, B.; Fischer, E. V.

    2015-12-01

    Many locations in the Northern Hemisphere show a statistically-significant sharp increase in measurements of ethane (C2H6) since 2009. It is hypothesized that the recent massive growth of shale gas exploitation in North America could be the source of this change. However, state-of-the-science chemical transport models are currently unable to reproduce the hemispheric burden of C2H6 or the recent sharp increase, pointing to a potential problem with current emission inventories. To resolve this, we used space-borne CH4 observations from the Greenhouse Gases Observing SATellite (GOSAT) to derive C2H6 emissions. By using known emission ratios to CH4, we estimated emissions of C2H6 from oil and gas activities, biofuels, and biomass burning over North America. The GEOS-Chem global chemical transport model was used to simulate atmospheric abundances of C2H6 with the new emissions estimates. The model is able to reproduce Northern Hemisphere surface concentrations. However, the model significantly under-predicts the amount of C2H6 throughout the column and the observed Northern Hemispheric gradient as diagnosed by comparisons to aircraft observations from the Hiaper Pole-to-Pole (HIPPO) Campaign.

  1. CASSINI VIMS OBSERVATIONS SHOW ETHANE IS PRESENT IN TITAN'S RAINFALL

    SciTech Connect

    Dalba, Paul A.; Buratti, Bonnie J.; Baines, Kevin H.; Sotin, Christophe; Lawrence, Kenneth J.; Brown, Robert H.; Barnes, Jason W.; Clark, Roger N.; Nicholson, Philip D.

    2012-12-20

    Observations obtained over two years by the Cassini Imaging Science Subsystem suggest that rain showers fall on the surface. Using measurements obtained by the Visual Infrared Mapping Spectrometer, we identify the main component of the rain to be ethane, with methane as an additional component. We observe five or six probable rainfall events, at least one of which follows a brief equatorial cloud appearance, suggesting that frequent rainstorms occur on Titan. The rainfall evaporates, sublimates, or infiltrates on timescales of months, and in some cases it is associated with fluvial features but not with their creation or alteration. Thus, Titan exhibits frequent 'gentle rainfall' instead of, or in addition to, more catastrophic events that cut rivers and lay down large fluvial deposits. Freezing rain may also be present, and the standing liquid may exist as puddles interspersed with patches of frost. The extensive dune deposits found in the equatorial regions of Titan imply multi-season arid conditions there, which are consistent with small, but possibly frequent, amounts of rain, in analogy to terrestrial deserts.

  2. Vitiated ethane oxidation in a high-pressure flow reactor

    SciTech Connect

    Walters, K.M.; Bowman, C.T.

    2009-10-15

    Vitiated combustion processes offer the potential to improve the thermodynamic efficiency in hydrocarbon-fueled combustion systems, providing a subsequent decrease in energy-specific CO{sub 2} emissions along with a decrease in the emission levels of nitrogen oxides (NO{sub x}) and particulate matter. The present work comprises an experimental and modeling study of vitiated ethane oxidation in a high-pressure flow reactor, with pressures of 1-6 bar, O{sub 2} mole fractions of 3.5-7.0%, temperatures of 1075-1100 K and 15-18 mole.% H{sub 2}O. Time-history measurements of species are used to characterize the overall rate of reaction and track the fuel-carbon through intermediate and product species. A one-dimensional mixing-reacting model that accounts for partial oxidation during reactant mixing is used in conjunction with a detailed kinetic mechanism. Changes in competing pathways due to variations in pressure and O{sub 2} mole fraction give rise to the complex pressure dependence seen in the experiments. (author)

  3. A High-Performance Liquid Chromatography-Based Screening Method for the Analysis of Atrazine, Alachlor, and Ten of Their Transformation Products

    USGS Publications Warehouse

    Schroyer, B.R.; Capel, P.D.

    1996-01-01

    A high-performance liquid Chromatography (HPLC) method is presented for the for the fast, quantitative analysis of the target analytes in water and in low organic-carbon, sandy soils that are known to be contaminated with the parent herbicides. Speed and ease of sample preparation was prioritized above minimizing detection limits. Soil samples were extracted using 80:20 methanol:water (volume:volume). Water samples (50 ??L) were injected directly into the HPLC without prior preparation. Method quantification limits for soil samples (10 g dry weight) and water samples ranged from 20 to 110 ng/g and from 20 to 110 ??g/L for atrazine and its transformation products and from 80 to 320 ng/g and from 80 to 320 ??g/L for alachlor and its transformation products, respectively.

  4. Sulfonimide-containing poly(arylene ether)s and poly(arylene ether sulfone)s, methods for producing the same, and uses thereof

    DOEpatents

    Hofmann, Michael A.

    2006-11-14

    The present invention is directed to sulfonimide-containing polymers, specifically sulfonimide-containing poly(arylene ether)s and sulfonimide-containing poly(arylene ether sulfone)s, and processes for making the sulfonimide-containing poly(arylene ether)s and sulfonimide-containing poly(arylene ether sulfone)s, for use conductive membranes and fuel cells.

  5. Acid-mediated formation of trifluoromethyl sulfonates from sulfonic acids and a hypervalent iodine trifluoromethylating agent.

    PubMed

    Koller, Raffael; Huchet, Quentin; Battaglia, Philip; Welch, Jan M; Togni, Antonio

    2009-10-28

    A variety of sulfonic acids have been trifluoromethylated using 1-trifluoromethyl-1,2-benziodoxol-3(1H)-one under mild conditions in good to excellent yields. Initial mechanistic investigations of this reaction show a clean second-order kinetics and only very weak substrate electronic effects.

  6. Molecular sieve/sulfonated poly(ether ketone ether sulfone) composite membrane as proton exchange membrane

    NASA Astrophysics Data System (ADS)

    Changkhamchom, Sairung; Sirivat, Anuvat

    2012-02-01

    A proton exchange membrane (PEM) is an electrolyte membrane used in both polymer electrolyte membrane fuel cells (PEMFC) and direct methanol fuel cells (DMFCs). Currently, PEMs typically used for PEMFCs are mainly the commercially available Nafion^ membranes, which is high cost and loss of proton conductivity at elevated temperature. In this work, the Sulfonated poly(ether ketone ether sulfone), (S-PEKES), was synthesized by the nucleophilic aromatic substitution polycondensation between bisphenol S and 4,4'-dichlorobenzophenone, and followed by the sulfonation reaction with concentrated sulfuric acid. The molecular sieve was added in the S-PEKES matrix at various ratios to form composite membranes to be the candidate for PEM. Properties of both pure sulfonated polymer and composite membranes were compared with the commercial Nafion^ 117 membrane from Dupont. S-PEKES membranes cast from these materials were evaluated as a polymer electrolyte membrane for direct methanol fuel cells. The main properties investigated were the proton conductivity, methanol permeability, thermal, chemical, oxidative, and mechanical stabilities by using a LCR meter, Gas Chromatography, Thermogravimetric Analysis, Fourier Transform Infrared Spectroscopy, Fenton's reagent, and Universal Testing Machine. The addition of the molecular sieve helped to increase both the proton conductivity and the methanol stability. These composite membranes are shown as to be potential candidates for use as a Proton Exchange Membrane (PEM).

  7. Boiling significantly promotes photodegradation of perfluorooctane sulfonate.

    PubMed

    Lyu, Xian-Jin; Li, Wen-Wei; Lam, Paul K S; Yu, Han-Qing

    2015-11-01

    The application of photochemical processes for perfluorooctane sulfonate (PFOS) degradation has been limited by a low treatment efficiency. This study reports a significant acceleration of PFOS photodegradation under boiling condition compared with the non-boiling control. The PFOS decomposition rate increased with the increasing boiling intensity, but declined at a higher hydronium level or under oxygenation. These results suggest that the boiling state of solution resulted in higher effective concentrations of reactants at the gas-liquid interface and enhanced the interfacial mass transfer, thereby accelerating the PFOS decomposition. This study broadens our knowledge of PFOS photodegradation process and may have implications for development of efficient photodegradation technologies. PMID:26117498

  8. Boiling significantly promotes photodegradation of perfluorooctane sulfonate.

    PubMed

    Lyu, Xian-Jin; Li, Wen-Wei; Lam, Paul K S; Yu, Han-Qing

    2015-11-01

    The application of photochemical processes for perfluorooctane sulfonate (PFOS) degradation has been limited by a low treatment efficiency. This study reports a significant acceleration of PFOS photodegradation under boiling condition compared with the non-boiling control. The PFOS decomposition rate increased with the increasing boiling intensity, but declined at a higher hydronium level or under oxygenation. These results suggest that the boiling state of solution resulted in higher effective concentrations of reactants at the gas-liquid interface and enhanced the interfacial mass transfer, thereby accelerating the PFOS decomposition. This study broadens our knowledge of PFOS photodegradation process and may have implications for development of efficient photodegradation technologies.

  9. Infrared Spectra and Optical Constants of Acetylene and Ethane Ices

    NASA Astrophysics Data System (ADS)

    Moore, Marla H.; Ferrante, R. F.; Hudson, R. L.; Moore, W. J.

    2012-10-01

    Hydrocarbon-containing ices have characteristic absorption bands in both the mid- and near-infrared spectral regions, yet accurate optical constants are not available for most of these molecules. Ices with a hydrocarbon component have been identified on several TNOs (1) and the presence of volatiles, such as hydrocarbons, is inferred for intermediate or large TNOs based on sublimation models (2, 3). In our laboratory we recently have undertaken low-temperature spectroscopic studies of C2 hydrocarbons. We report IR spectra for acetylene (C2H2) and ethane (C2H6) ice in both the amorphous and crystalline phases at multiple temperatures. We include measurements of the refractive index at 670 nm for both the amorphous and crystalline phases of each ice. The optical constants, the real (n) and imaginary (k) components of the complex index of refraction, were determined from 7000 - 400 cm-1 (1.4 - 25 microns) at multiple temperatures using a Kramers-Kronig analysis. A goal of the present work is to provide a data base of optical constants of C2 molecules similar to that of Hudgins et al. (4) and Moore et al. (5). These values, as well as our calculated individual band strengths, will have great practical importance for the ongoing analysis of TNO spectra. (1) Brown, M.E. et al., Astron J., 133, 284, 2007. (2) Delsanti, A. et al., A&A, 52, A40, 2010. (3) Schaller, E. L. & Brown, M. E., ApJ, 659, L61, 2007. (4) Hudgins, D. M. et al., ApJS, 86, 713, 1993. (5) Moore, M. H. et al., ApJS, 191, 96, 2010. This work is supported by NASA’s Planetary Atmospheres, Outer Planets, and Cassini Data Analysis programs, and The Goddard Center for Astrobiology.

  10. Synthesis of cyclic sulfones by ring-closing metathesis.

    PubMed

    Yao, Qingwei

    2002-02-01

    A general and highly efficient synthesis of cyclic sulfones based on ring-closing metathesis has been developed. The synthetic utility of the resulting cyclic sulfones was demonstrated by their participation in stereoselective Diels-Alder reactions and transformation to cyclic dienes by the Ramberg-Bäcklund reaction. PMID:11820896

  11. Synthesis of basic and overbasic sulfonate detergent additives

    SciTech Connect

    Abou El Naga, H.H.; Abd El-Azim, W.M.; Bendary, S.A.; Awad, N.G.

    1993-12-01

    Heavy alkylbenzene, which accumulates as a by-product from linear alkylbenzene synthesis, is evaluated as a starting material for preparation of basic and over basic sulfonate detergent additives. Chemical structure analysis showed that this by-product contains several components in different proportions. Most of these components, as traced via mass spectrometry, showed the presence of paraffinic side chains within the carbon range C{sub 11}--C{sub 22}. Accordingly, sulfonation conditions for it were adjusted to optimize the reaction yield and sulfonic quality. Neutralization of the sulfonic acid was carried out by adding CaO in the presence of methanol as a promoter. Preparation of over basic sulfonate was run via a carbonation process at 55--60 C. Evaluations of synthesized basic calcium sulfonate in comparison to a commercial additive is supported by its efficiency as a detergent additive. The synthesized product has a higher total base number and Ca content than those for the commercial one. On the other hand, evaluation of the synthesized overbasic calcium sulfonate compared with overbasic commercial additives with medium and high alkalinity indicated that the synthesized product can be classified as overbasic calcium sulfonate with medium alkalinity, good dispersive power, and detergent efficiency.

  12. 21 CFR 177.2210 - Ethylene polymer, chloro-sulfonated.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ethylene polymer, chloro-sulfonated. 177.2210... (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for Repeated Use § 177.2210 Ethylene polymer, chloro-sulfonated. Ethylene polymer, chlorosulfonated...

  13. Sulfonated Nanoplates in Proton Conducting Membranes for Fuel Cells

    SciTech Connect

    Chen, W.F.; Ni’mah, H.; Yu-Cheng Shen, Y.-C.; Kuo, P.-L.

    2011-09-29

    Surface-functionalized nanoplates are synthesized by anchoring sulfonic acid containing siloxanes on zirconium phosphate, and in turn blended with Nafion to fabricate proton conducting membranes. The effects of these sulfonated nanoplates on proton conduction, hydro-characteristics and fuel cell performance are reported.

  14. Synthesis of cyclic sulfones by ring-closing metathesis.

    PubMed

    Yao, Qingwei

    2002-02-01

    A general and highly efficient synthesis of cyclic sulfones based on ring-closing metathesis has been developed. The synthetic utility of the resulting cyclic sulfones was demonstrated by their participation in stereoselective Diels-Alder reactions and transformation to cyclic dienes by the Ramberg-Bäcklund reaction.

  15. MATERNAL AND DEVELOPMENTAL TOXICITY OF PERFLUOROOCTANE SULFONATE IN THE RAT

    EPA Science Inventory

    MATERNAL AND DEVELOPMENTAL TOXICITY OF PERFLUOROOCTANE SULFONATE IN THE RAT.
    C. Lau and J.M. Rogers, Reproductive Toxicology Division, NHEERL, ORD, USEPA, Research Triangle Park, NC, USA

    Perfluorooctane sulfonate (PFOS), an environmentally persistent compound used ...

  16. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Alkylbenzene sulfonate, amine salt... Substances § 721.1625 Alkylbenzene sulfonate, amine salt. (a) Chemical substance and significant new uses... salt (PMN P-90-456) is subject to reporting under this section for the significant new use described...

  17. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Alkylbenzene sulfonate, amine salt... Substances § 721.1625 Alkylbenzene sulfonate, amine salt. (a) Chemical substance and significant new uses... salt (PMN P-90-456) is subject to reporting under this section for the significant new use described...

  18. Anaerobic degradation of linear alkylbenzene sulfonate.

    PubMed

    Mogensen, Anders S; Haagensen, Frank; Ahring, Birgitte K

    2003-04-01

    Linear alkylbenzene sulfonate (LAS) found in wastewater is removed in the wastewater treatment facilities by sorption and aerobic biodegradation. The anaerobic digestion of sewage sludge has not been shown to contribute to the removal. The concentration of LAS based on dry matter typically increases during anaerobic stabilization due to transformation of easily degradable organic matter. Hence, LAS is regarded as resistant to biodegradation under anaerobic conditions. We present data from a lab-scale semi-continuously stirred tank reactor (CSTR) spiked with linear dodecylbenzene sulfonate (C12 LAS), which show that C12 LAS was biodegradable under methanogenic conditions. Sorption of C12 LAS on sewage sludge was described with a Freundlich isotherm. The C12 LAS sorption was determined with different concentrations of total solids (TS). In the semi-continuously stirred tank reactor, 18% of the added C12 LAS was bioavailable and 20% was biotransformed when spiking with 100 mg/L of C12 LAS and a TS concentration of 14.2 mg/L. Enhanced bioavailability of C12 LAS was obtained in an upflow anaerobic sludge blanket (UASB) reactor inoculated with granular sludge and sewage sludge. Biodegradation under thermophilic conditions was 37% with LAS as sole carbon source. Benzaldehyde was produced in the UASB reactor during LAS transformation.

  19. Recent decreases in fossil-fuel emissions of ethane and methane derived from firn air.

    PubMed

    Aydin, Murat; Verhulst, Kristal R; Saltzman, Eric S; Battle, Mark O; Montzka, Stephen A; Blake, Donald R; Tang, Qi; Prather, Michael J

    2011-08-10

    Methane and ethane are the most abundant hydrocarbons in the atmosphere and they affect both atmospheric chemistry and climate. Both gases are emitted from fossil fuels and biomass burning, whereas methane (CH(4)) alone has large sources from wetlands, agriculture, landfills and waste water. Here we use measurements in firn (perennial snowpack) air from Greenland and Antarctica to reconstruct the atmospheric variability of ethane (C(2)H(6)) during the twentieth century. Ethane levels rose from early in the century until the 1980s, when the trend reversed, with a period of decline over the next 20 years. We find that this variability was primarily driven by changes in ethane emissions from fossil fuels; these emissions peaked in the 1960s and 1970s at 14-16 teragrams per year (1 Tg = 10(12) g) and dropped to 8-10 Tg  yr(-1) by the turn of the century. The reduction in fossil-fuel sources is probably related to changes in light hydrocarbon emissions associated with petroleum production and use. The ethane-based fossil-fuel emission history is strikingly different from bottom-up estimates of methane emissions from fossil-fuel use, and implies that the fossil-fuel source of methane started to decline in the 1980s and probably caused the late twentieth century slow-down in the growth rate of atmospheric methane.

  20. Luminescence-based spectroelectrochemical sensor for [Tc(dmpe)3]2+/+ (dmpe = 1,2-bis(dimethylphosphino)ethane) within a charge-selective polymer film.

    PubMed

    Chatterjee, Sayandev; Del Negro, Andrew S; Edwards, Matthew K; Bryan, Samuel A; Kaval, Necati; Pantelic, Nebojsa; Morris, Laura K; Heineman, William R; Seliskar, Carl J

    2011-03-01

    A spectroelectrochemical sensor consisting of an indium tin oxide (ITO) optically transparent electrode (OTE) coated with a thin film of partially sulfonated polystyrene-blockpoly(ethylene-ran-butylene)-block-polystyrene (SSEBS) was developed for [Tc(dmpe)(3)](+) (dmpe = 1,2-bis(dimethylphosphino)ethane). [Tc(dmpe)(3)](+) was preconcentrated by ion-exchange into the SSEBS film after a 20 min exposure to aqueous [Tc(dmpe)(3)](+) solution, resulting in a 14-fold increase in cathodic peak current compared to a bare OTE. Colorless [Tc(dmpe)(3)](+) was reversibly oxidized to colored [Tc(dmpe)(3)](2+) by cyclic voltammetry. Detection of [Tc(dmpe)(3)](2+) was accomplished through emission spectroscopy by electrochemically oxidizing the complex from nonemissive [Tc(dmpe)(3)](+) to emissive [Tc(dmpe)(3)](2+). The working principle of the sensor consisted of electrochemically cycling between nonemissive [Tc(dmpe)(3)](+) and emissive [Tc(dmpe)(3)](2+) and monitoring the modulated emission (λ(exc) = 532 nm; λ(em) = 660 nm). The sensor gave a linear response over the concentration range of 0.16-340.0 μM of [Tc(dmpe)(3)](2+/+) in aqueous phase with a detection limit of 24 nM.

  1. Chitin nanowhisker-supported sulfonated poly(ether sulfone) proton exchange for fuel cell applications.

    PubMed

    Zhang, Chan; Zhuang, Xupin; Li, Xiaojie; Wang, Wei; Cheng, Bowen; Kang, Weimin; Cai, Zhanjun; Li, Mengqin

    2016-04-20

    To balance the relationship among proton conductivity and mechanic strength of sulfonated poly(ether sulfone) (SPES) membrane, chitin nanowhisker-supported nanocomposite membranes were prepared by incorporating whiskers into SPES. The as-prepared chitin whiskers were prepared by 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TEMPO) mediated oxidation of α-chitin from crab shells. The structure and properties of the composite membranes were examined as proton exchange membrane (PEM). Results showed that chitin nanowhiskers were dispersed incompactly in the SPES matrix. Thermal stability, mechanical properties, water uptake and proton conductivity of the nanocomposite films were improved from those of the pure SPES film with increasing whisker content, which ascribed to strong interactions between whiskers and between SPES molecules and chitin whiskers via hydrogen bonding. These indicated that composition of filler and matrix got good properties and whisker-supported membranes are promising materials for PEM.

  2. Cycling performance and efficiency of sulfonated poly(sulfone) membranes in vanadium redox flow batteries

    SciTech Connect

    Kim, Soowhan; Yan, Jingling; Schwenzer, Birgit; Zhang, Jianlu; Li, Liyu; Liu, Jun; Yang, Zhenguo; Hickner, Michael A.

    2010-11-30

    As an alternative to the expensive Nafion® ion exchange membrane, an inexpensive commercially-available Radel® polymer was sulfonated, fabricated into a thin membrane, and evaluated for its performance in a vanadium redox flow battery (VRFB). The sulfonated Radel (S-Radel) membrane showed almost an order of magnitude lower permeability of V (IV) ions (2.07×10-7 cm2/min), compared to Nafion 117 (1.29×10-6 cm2/min), resulting in better coulombic efficiency (~98% vs. 95% at 50 mA/cm2) and lower capacity loss per cycle. Even though the S-Radel membrane had slightly higher membrane resistance, the energy efficiency of the VRFB with the S-Radel membrane was comparable to that of Nafion due to its better coulombic efficiency. The S-Radel membrane exhibited good performance up to 40 cycles, but a decay in performance at later cycles was observed.

  3. Development of a Flight Instrument for in situ Measurements of Ethane and Methane

    NASA Astrophysics Data System (ADS)

    Wilkerson, J. P.; Sayres, D. S.; Anderson, J. G.

    2015-12-01

    Methane emissions data for natural gas and oil fields have high uncertainty. Better quantifying these emissions is crucial to establish an accurate methane budget for the United States. One obstacle is that these emissions often occur in areas near livestock facilities where biogenic methane abounds. Measuring ethane, which has no biogenic source, along with methane can tease these sources apart. However, ethane is typically measured by taking whole-air samples. This tactic has lower spatial resolution than making in situ measurements and requires the measurer to anticipate the location of emission plumes. This leaves unexpected plumes uncharacterized. Using Re-injection Mirror Integrated Cavity Output Spectroscopy (RIM-ICOS), we can measure both methane and ethane in flight, allowing us to establish more accurate fugitive emissions data that can more readily distinguish between different sources of this greenhouse gas.

  4. Structural optimization of interpenetrated pillared-layer coordination polymers for ethylene/ethane separation.

    PubMed

    Kishida, Keisuke; Horike, Satoshi; Watanabe, Yoshihiro; Tahara, Mina; Inubushi, Yasutaka; Kitagawa, Susumu

    2014-06-01

    With the goal of achieving effective ethylene/ethane separation, we evaluated the gas sorption properties of four pillared-layer-type porous coordination polymers with double interpenetration, [Zn2(tp)2(bpy)]n (1), [Zn2(fm)2(bpe)]n (2), [Zn2(fm)2(bpa)]n (3), and [Zn2(fm)2(bpy)]n (4) (tp = terephthalate, bpy = 4,4'-bipyridyl, fm = fumarate, bpe = 1,2-di(4-pyridyl)ethylene and bpa = 1,2-di(4-pyridyl)ethane). It was found that 4, which contains the narrowest pores of all of these compounds, exhibited ethylene-selective sorption profiles. The ethylene selectivity of 4 was estimated to be 4.6 at 298 K based on breakthrough experiments using ethylene/ethane gas mixtures. In addition, 4 exhibited a good regeneration ability compared with a conventional porous material.

  5. Chemical and Mechanical Degradation of Sulfonated Poly(sulfone) Membranes in Vanadium Redox Flow Batteries

    SciTech Connect

    Kim, Soowhan; Tighe, Timothy B.; Schwenzer, Birgit; Yan, Jingling; Zhang, Jianlu; Liu, Jun; Yang, Zhenguo; Hickner, Michael A.

    2011-10-01

    A sulfonated poly(sulfone) (S-Radel{reg_sign}) membrane with high proton conductivity and low vanadium ion diffusion showed high initial performance in a vanadium redox flow battery (VRFB) but suffered damage during charge/discharge cycling. The S-Radel membrane had different degradation behaviors in flow cell cycling and ex-situ vanadium ion immersion tests. The S-Radel membrane immersed in V5+ solution cracked into small pieces, but in the VRFB cell, the membrane underwent internal delamination preferentially on the side of the membrane that faced the positive electrode. A vanadium-rich interface was observed near the membrane surface that experienced delamination and Raman spectroscopic analysis of the surfaces of the membrane indicated a slightly depressed 1026 cm-1 band corresponding to the sulfonate SO2 stretch for the degraded surface. Even though the S-Radel membrane underwent severe mechanical damage during the flow cell cycling, significant chemical degradation was not obvious from the spectroscopic analyses. For the VRFB containing an S-Radel membrane, an increase in membrane resistance caused an abnormal voltage depression during the discharge cycle. The reversible increase in membrane resistance and severe mechanical degradation of the membrane during cycling may be attributed repeated formation and dissolution of particles inside the membrane. The mechanical stresses imposed by the particles coupled with a small amount of chemical degradation of the polymer by V5+, are likely degradation mechanisms of the S-Radel membrane in VRFBs under high state-of-charge conditions.

  6. Electrical conductivity of sulfonated poly(ether ether ketone) based composite membranes containing sulfonated polyhedral oligosilsesquioxane

    NASA Astrophysics Data System (ADS)

    Celso, Fabricio; Mikhailenko, Serguei D.; Rodrigues, Marco A. S.; Mauler, Raquel S.; Kaliaguine, Serge

    2016-02-01

    Composite proton exchange membranes (PEMs) intended for fuel cell applications were prepared by embedding of various amounts of dispersed tri-sulfonic acid ethyl POSS (S-Et-POSS) and tri-sulfonic acid butyl POSS (S-Bu-POSS) in thin films of sulfonated poly ether-ether ketone. The electrical properties of the PEMs were studied by Impedance spectroscopy and it was found that their conductivity σ changes with the filler content following a curve with a maximum. The water uptake of these PEMs showed the same dependence. The investigation of initial isolated S-POSS substances revealed the properties of typical electrolytes, which however in both cases possessed low conductivities of 1. 17 × 10-5 S cm-1 (S-Et-POSS) and 3.52 × 10-5 S cm-1 (S-Bu-POSS). At the same time, the insoluble in water S-POSS was found forming highly conductive interface layer when wetted with liquid water and hence producing a strong positive impact on the conductivity of the composite PEM. Electrical properties of the composites were analysed within the frameworks of effective medium theory and bounding models, allowing to evaluate analytically the range of possible conductivity values. It was found that these approaches produced quite good approximation of the experimental data and constituted a fair basis for interpretation of the observed relationship.

  7. Neutron powder diffraction study of perdeuterodimethyl sulfone.

    PubMed

    Ibberson, R M

    2007-05-01

    The crystal structure of perdeuterodimethyl sulfone, (CD(3))(2)SO(2) or C(2)D(6)O(2)S, has been refined at 4.5 K against high-resolution neutron powder diffraction data. The structure determined previously by Sands [Z. Kristallogr. (1963), 119, 245-251] at ambient temperature is shown to remain down to liquid helium temperature, and at 4.5 K the S-C and S-O bond distances are 1.441 (2) and 1.760 (2) A, respectively. The molecules are distorted tetrahedra with C(2v) point symmetry (crystallographic symmetry m2m for S and m for C, O and one D atom) and are linked through a network of weak hydrogen bonds in the C-centred orthorhombic structure.

  8. Reclamation of waste polystyrene by sulfonation

    SciTech Connect

    Inagaki, Yasuhito; Kuromiya, Miyuki; Noguchi, Tsutomu; Watanabe, Haruo

    1999-06-08

    Waste polystyrene containing additives was converted into a polymeric flocculant by a chemical modification. Specifically, waste polystyrene and waste high-impact polystyrene (HI-PS) containing rubber components or a coloring agent were sulfonated to produce a water-soluble polymer whose molecular weight ranged from 400,000 to 700,000. The polymer provides superior purification of the supernatant after flocculating a kaolin suspension than a conventional polymeric flocculant such as a partially hydrolyzed polyacrylamide (hereafter abbreviate PAA). Moreover, using the polymer and a PAA together provides a higher sedimentation rate and a purer supernatant in the treatment of actual wastewater than using each one separately. A new reclamation technology to convert waste plastic into a functional polymer is reported.

  9. Benzene-Ethane Co-Crystals on the Surface of Titan

    NASA Astrophysics Data System (ADS)

    Vu, T. H.; Hodyss, R. P.; Cable, M. L.; Maynard-Casely, H. E.; Malaska, M. J.; Beauchamp, P. M.

    2014-12-01

    Benzene is found at high abundance in Titan's atmosphere and is a likely constituent of evaporite deposits formed around the hydrocarbon lakes. This work aims to understand the composition and nature of the surface evaporites by focusing on the interaction between benzene and ethane, a principal component of the lake fluids. We have discovered a new benzene-ethane co-crystalline structure which forms under Titan-like conditions (90-150 K and 1 bar), resulting in recrystallization of the benzene lattice that can be detected via micro-Raman spectroscopy. Evidence for ethane incorporation includes two new distinctive ethane features at 2873 and 1455 cm-1 and marked red shifts of the benzene peaks in the Raman spectra. Vibrational analysis reveals a C-H…π interaction between the aromatic ring of benzene and the hydrogen atoms of ethane through a monodentate contact. The kinetics of co-crystal formation is also determined, giving a relatively mild activation energy of 10.2 kJ/mol. It is shown that the formation process would reach completion in ~18 hours, and that benzene precipitates selectively as the co-crystal from a mixture of liquid ethane and methane. Synchrotron powder X-ray diffraction data confirms the crystalline nature of the new material. These results imply that benzene and similar organics may act as potential hydrocarbon reservoirs due to this incorporation mechanism. These novel structures represent a new class of materials for Titan's surface that may influence evaporite characteristics, such as particle size and infrared spectral properties.

  10. High-Resolution Spectroscopy of Stratospheric Ethane Following the Jupiter Impact of 2009

    NASA Technical Reports Server (NTRS)

    Fast, Kelly; Kostiuk, Theodor; Livengood, Timothy A.; Hewagama, Tilak; Amen, John

    2010-01-01

    We report on high-resolution infrared spectroscopy of ethane (C2H6) performed at the latitude of an impact site on Jupiter discovered on 19 July 2009 by A. Wesley from a location in Murrumbateman, Australia. The observations used the NASA Goddard Space Flight Center's Heterodyne Instrument for Planetary Wind and Composition (HIPWAC) at the NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. HIPWAC is a mid-infrared (9-12 microns) heterodyne spectrometer operating at the highest limit of spectral resolving power (lambda\\Delta\\lambda > l06), providing information on atmospheric constituent abundance and temperature through fully resolved tine shapes. Ethane is a stable trace product of methane photochemistry that is nearly uniformly mixed in Jupiter's stratosphere, providing an effective probe of that altitude region. Ethane emission line profiles near 11,74 microns in the Ug band were measured in Jupiter's stratosphere at 25 MHz (11.00083/cm) resolution. A sequence of spectra of ethane acquired over a range of longitude at the impact latitude (56S planetocentric) probes constituent abundance and temperature profile, both on and off the impact region. Near the site of the impact, ethane emission increased above levels measured well outside the impact region. Radiative transfer analysis indicates increased ethane mole fraction (30% greater). Variation in the measured continuum level and line intensities within 75deg of the impact longitude indicate the presence of an opacity source (haze) at altitudes near and above the tropopause and as high as the 10-mbar level near the impact site. The indication of possible haze opacity up to the 10-mbar level in the atmosphere is consistent with measurements made by HIPWAC's predecessor as part of the IRTF Shoemaker Levy-9 campaign in 1994.

  11. Alkyl phosphonic acids and sulfonic acids in the Murchison meteorite

    NASA Technical Reports Server (NTRS)

    Cooper, George W.; Onwo, Wilfred M.; Cronin, John R.

    1992-01-01

    Homologous series of alkyl phosphonic acids and alkyl sulfonic acids, along with inorganic orthophosphate and sulfate, are identified in water extracts of the Murchison meteorite after conversion to their t-butyl dimethylsilyl derivatives. The methyl, ethyl, propyl, and butyl compounds are observed in both series. Five of the eight possible alkyl phosphonic acids and seven of the eight possible alkyl sulfonic acids through C4 are identified. Abundances decrease with increasing carbon number as observed of other homologous series indigenous to Murchison. Concentrations range downward from approximately 380 nmol/gram in the alkyl sulfonic acid series, and from 9 nmol/gram in the alkyl phosphonic acid series.

  12. 78 FR 62323 - MarkWest Liberty Ethane Pipeline L.L.C.; Notice of Petition for Declaratory Order

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-16

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF ENERGY Federal Energy Regulatory Commission MarkWest Liberty Ethane Pipeline L.L.C.; Notice of Petition for Declaratory... Practices and Procedure, 18 CFR 385.207(a)(2)(2013), MarkWest Liberty Ethane Pipeline L.L.C....

  13. Electrochemical Windows of Sulfone-Based Electrolytes for High-Voltage Li-Ion Batteries

    SciTech Connect

    Shao, Nan; Sun, Xiao-Guang; Dai, Sheng; Jiang, Deen

    2011-01-01

    Further development of high-voltage lithium-ion batteries requires electrolytes with electrochemical windows greater than 5 V. Sulfone-based electrolytes are promising for such a purpose. Here we compute the electrochemical windows for experimentally tested sulfone electrolytes by different levels of theory in combination with various solvation models. The MP2 method combined with the polarizable continuum model is shown to be the most accurate method to predict oxidation potentials of sulfone-based electrolytes with mean deviation less than 0.29 V. Mulliken charge analysis shows that the oxidation happens on the sulfone group for ethylmethyl sulfone and tetramethylene sulfone, and on the ether group for ether functionalized sulfones. Large electrochemical windows of sulfone-based electrolytes are mainly contributed by the sulfone group in the molecules which helps lower the HOMO level. This study can help understand the voltage limits imposed by the sulfone-based electrolytes and aid in designing new electrolytes with greater electrochemical windows.

  14. Measuring doubly 13C-substituted ethane by mass spectrometry

    NASA Astrophysics Data System (ADS)

    Clog, M.; Ling, C.; Eiler, J. M.

    2012-12-01

    Ethane (C2H6) is present in non-negligible amounts in most natural gas reservoirs and is used to produce ethylene for petrochemical industries. It is one of the by-products of lipid metabolism and is the arguably simplest molecule that can manifest multiple 13C substitutions. There are several plausible controls on the relative abundances of 13C2H6 in natural gases: thermodynamically controlled homogeneous isotope exchange reactions analogous to those behind carbonate clumped isotope thermometry; inheritance from larger biomolecules that under thermal degradation to produce natural gas; mixing of natural gases that differ markedly in bulk isotopic composition; or combinations of these and/or other, less expected fractionations. There is little basis for predicting which of these will dominate in natural samples. Here, we focus on an analytical techniques that will provide the avenue for exploring these phenomena. The method is based on high-resolution gas source isotope ratio mass spectrometry, using the Thermo 253-Ultra (a new prototype mass spectrometer). This instrument achieves the mass resolution (M/Δ M) up to 27,000, permitting separation of the isobaric interferences of potential contaminants and isotopologues of an analtye or its fragments which share a cardinal mass. We present techniques to analyze several isotopologues of molecular and fragment ions of C2H6. The critical isobaric separations for our purposes include: discrimination of 13C2H6 from 13C12CDH5 at mass 32 and separation of the 13CH3 fragment from 12CH4 at mass 16, both requiring at least a mass resolution of 20000 to make an adequate measurement. Other obvious interferences are either cleanly separated (e.g., O2, O) or accounted for by peak-stripping (CH3OH on mass 32 and NH2 on mass 16). We focus on a set of measurements which constrain: the doubly-substituted isotopologue, 13C2H6, and the 13CH3/12CH3 ratio of the methyl fragment, which constrains the bulk δ 13C. Similar methods can be

  15. Structure-Property Relationships in Sulfonated Pentablock Copolymers

    NASA Astrophysics Data System (ADS)

    Choi, Jae-Hong; Willis, Carl; Winey, Karen I.

    2011-03-01

    Membranes of pentablock copolymers consisting of poly(tert-butyl styrene) (TBS), hydrogenated polyisoprene (HI), and partially sulfonated poly(styrene-ran-styrene sulfonate) (SS) were studied using small angle X-ray scattering (SAXS) and transmission electron microscopy (TEM). The TBS-HI-SS-HI-TBS pentablock copolymer in solution forms spherical micelles with a core of SS and a corona of solvated HI and TBS. The spherical micelles in solution compact as the solvent evaporates and some of SS cores merge to form interconnected SS microdomains without substantially changing their shape. The number of connections increases with the volume fraction of the SS block, which increases with sulfonation level. The structure does not have long-range order, because strong ionic interactions prevent extensive rearrangement. The morphologies of the sulfonated pentablock copolymers will be correlated with their transport properties.

  16. Affinity labelling enzymes with esters of aromatic sulfonic acids

    DOEpatents

    Wong, Show-Chu; Shaw, Elliott

    1977-01-01

    Novel esters of aromatic sulfonic acids are disclosed. The specific esters are nitrophenyl p- and m-amidinophenylmethanesulfonate. Also disclosed is a method for specific inactivation of the enzyme, thrombin, employing nitrophenyl p-amidinophenylmethanesulfonate.

  17. Whole genome sequence analysis of an Alachlor and Endosulfan degrading Pseudomonas strain W15Feb9B isolated from Ochlockonee River, Florida.

    PubMed

    Chauhan, Ashvini; Pathak, Ashish; Ewida, Ayman Y I; Griffiths, Zabrenna; Stothard, Paul

    2016-06-01

    We recently isolated a Pseudomonas sp. strain W15Feb9B from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides - Alachlor [(2-chloro-2',6'-diethylphenyl-N (methoxymethyl)acetanilide)] and Endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain W15Feb9B, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of strain 2385 has been deposited in GenBank under accession number JTKF00000000; BioSample number SAMN03151543. The sequences obtained from strain 2385 assembled into 192 contigs with a genome size of 6,031,588, G + C content of 60.34, and 5512 total number of putative genes. RAST annotated a total of 542 subsystems in the genome of strain W15Feb9B along with the presence of 5360 coding sequences. A genome wide survey of strain W15Feb9B indicated that it has the potential to degrade several other pollutants including atrazine, caprolactam, dioxin, PAHs (such as naphthalene) and several chloroaromatic compounds.

  18. Consensus diagnoses and mode of action for the formation of gastric tumors in rats treated with the chloroacetanilide herbicides alachlor and butachlor.

    PubMed

    Furukawa, Satoshi; Harada, Takanori; Thake, Daryl; Iatropoulos, Michael J; Sherman, James H

    2014-01-01

    A panel of pathologists (Panel) was formed to evaluate the pathogenesis and human relevance of tumors that developed in the fundic region of rat stomachs in carcinogenicity and mechanistic studies with alachlor and butachlor. The Panel evaluated stomach sections stained with hematoxylin and eosin, neuron-specific enolase, and chromogranin A to determine the presence and relative proportion of enterochromaffin-like (ECL) cells in the tumors and concluded all tumors were derived from ECL cells. Biochemical and pathological data demonstrated the tumor formation involved a nongenotoxic threshold mode of action (MOA) initially characterized by profound atrophy of the glandular fundic mucosa that affected gastric glands, but not surface epithelium. This resulted in a substantial loss of parietal cells and a compensatory mucosal cell proliferation. The loss of parietal cells caused a marked increase in gastric pH (hypochlorhydria), leading to sustained and profound hypergastrinemia. The mucosal atrophy, together with the increased gastrin, stimulated cell growth in one or more ECL cell populations, resulting in neoplasia. ECL cell autocrine and paracrine effects led to dedifferentiation of ECL cell tumors. The Panel concluded the tumors develop via a threshold-dependent nongenotoxic MOA, under conditions not relevant to humans.

  19. Whole genome sequence analysis of an Alachlor and Endosulfan degrading Pseudomonas strain W15Feb9B isolated from Ochlockonee River, Florida.

    PubMed

    Chauhan, Ashvini; Pathak, Ashish; Ewida, Ayman Y I; Griffiths, Zabrenna; Stothard, Paul

    2016-06-01

    We recently isolated a Pseudomonas sp. strain W15Feb9B from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides - Alachlor [(2-chloro-2',6'-diethylphenyl-N (methoxymethyl)acetanilide)] and Endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain W15Feb9B, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of strain 2385 has been deposited in GenBank under accession number JTKF00000000; BioSample number SAMN03151543. The sequences obtained from strain 2385 assembled into 192 contigs with a genome size of 6,031,588, G + C content of 60.34, and 5512 total number of putative genes. RAST annotated a total of 542 subsystems in the genome of strain W15Feb9B along with the presence of 5360 coding sequences. A genome wide survey of strain W15Feb9B indicated that it has the potential to degrade several other pollutants including atrazine, caprolactam, dioxin, PAHs (such as naphthalene) and several chloroaromatic compounds. PMID:27330991

  20. A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan.

    PubMed

    Maynard-Casely, Helen E; Hodyss, Robert; Cable, Morgan L; Vu, Tuan Hoang; Rahm, Martin

    2016-05-01

    Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C-H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group [Formula: see text] with a = 15.977 (1) Å and c = 5.581 (1) Å at 90 K, with a density of 1.067 g cm(-3). The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material.

  1. EFFECTS OF GESTATIONAL EXPOSURE TO ETHANE DIMETHANESULFONATE IN CD-1 MICE: MICROTIA AND PRELIMINARY HEARING TESTS

    EPA Science Inventory

    Microtia is a reduction in pinna size, usually seen in humans in conjunction with other medical conditions. Here we report microtia in CD-1 mice following gestational exposure to ethane dimethanesulfonate (EDS), an alkylating agent and adult rat Leydig cell toxicant. Methods...

  2. Ethane's 12C/13C Ratio in Titan: Implications for Methane Replenishment

    NASA Astrophysics Data System (ADS)

    Jennings, Donald E.; Nixon, C. A.; Romani, P. N.; Bjoraker, G. L.; Sada, P. V.; Lunsford, A. W.; Boyle, R. J.; Hesman, B. E.; McCabe, G. H.

    2009-09-01

    As the main destination of carbon in the destruction of methane in the atmosphere of Titan, ethane provides information about the carbon isotopic composition of the reservoir from which methane is replenished. If the amount of methane entering the atmosphere is presently equal to the amount converted to ethane, the 12C/13C ratio in ethane should be close to the ratio in the reservoir. We have measured the 12C/13C ratio in ethane both with Cassini CIRS1 and from the ground2 and find that it is very close to the telluric standard and outer planet values (89), consistent with a primordial origin for the methane reservoir. The lower 12C/13C ratio measured for methane by Huygens GCMS (82.3) can be explained if the conversion of CH4 to CH3 (and C2H6) favors 12C over 13C with a carbon kinetic isotope effect of 1.08. The time required for the atmospheric methane to reach equilibrium, i.e., for replenishment to equal destruction, is approximately 5 methane atmospheric lifetimes. 1Nixon et al., Icarus 195, 778 (2008). 2Jennings et al., Journal of Physical Chemistry A, in press (2009).

  3. Laboratory Studies of Ethane Ice Relevant to Outer Solar System Surfaces

    NASA Astrophysics Data System (ADS)

    Moore, Marla H.; Hudson, R. L.; Raines, L.

    2009-09-01

    Oort Cloud comets, as well as TNOs Makemake (2005 FY9), Quaoar, and Pluto, are known to contain ethane. However, even though this molecule is found on several outer Solar System objects relatively little information is available about its amorphous and crystalline phases. In new experiments, we have prepared ethane ices at temperatures applicable to the outer Solar System, and have heated and ion-irradiated these ices to study phase changes and ethane's radiation chemistry using mid-IR spectroscopy (2.2 - 16.6 microns). Included in our work is the meta-stable phase that exists at 35 - 55 K. These results, including newly obtained optical constants, are relevant to ground-based observational campaigns, the New Horizons mission, and supporting laboratory work. An improved understanding of solid-phase ethane may contribute to future searches for this and other hydrocarbons in the outer Solar System. This work was funded by NASA's Planetary Geology and Geophysics, Planetary Atmospheres, and Outer Planets programs. LR was supported by a summer research internship at the NASA Astrobiology Institute's Goddard Center for Astrobiology.

  4. Determination of the Rotational Barrier in Ethane by Vibrational Spectroscopy and Statistical Thermodynamics

    ERIC Educational Resources Information Center

    Ercolani, Gianfranco

    2005-01-01

    The finite-difference boundary-value method is a numerical method suited for the solution of the one-dimensional Schrodinger equation encountered in problems of hindered rotation. Further, the application of the method, in combination with experimental results for the evaluation of the rotational energy barrier in ethane is presented.

  5. GESTATIONAL EXPOSURE TO ETHANE DIMETHANESULFONATE PERMANENTLY ALTERS REPRODUCTIVE COMPETENCE IN THE CD-1 MOUSE

    EPA Science Inventory

    While the adult mouse Leydig cell (LC) has been considered refractory to cytotoxic destruction by ethane dimethanesulfonate (EDS), the potential consequences of exposure during reproductive development in this species are unknown. Herein pregnant CD-1 mice were treated with 160 m...

  6. GESTATIONAL EXPOSURE TO ETHANE DIMETHANESULFONATE (EDS) ALTERS DEVELOPMENT OF THE MOUSE TESTIS

    EPA Science Inventory

    GESTATIONAL EXPOSURE TO ETHANE DIMETHANESULFONATE (EDS) ALTERS DEVELOPMENT OF THE MOUSE TESTIS. D.K. Tarka*1,2, J.D. Suarez*2, N.L. Roberts*2, J.M. Rogers*1,2, M.P. Hardy3, and G.R. Klinefelter1,2. 1University of North Carolina, Curriculum in Toxicology, Chapel Hill, NC; 2USEPA,...

  7. A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan.

    PubMed

    Maynard-Casely, Helen E; Hodyss, Robert; Cable, Morgan L; Vu, Tuan Hoang; Rahm, Martin

    2016-05-01

    Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C-H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group [Formula: see text] with a = 15.977 (1) Å and c = 5.581 (1) Å at 90 K, with a density of 1.067 g cm(-3). The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material. PMID:27158505

  8. ANALYSIS OF DISSOLVED METHANE, ETHANE, AND ETHYLENE IN GROUND WATER BY A STANDARD GAS CHROMATOGRAPHIC TECHNIQUE

    EPA Science Inventory

    The measurement of dissolved gases such as methane, ethane, and ethylene in ground water is important in determining whether intrinsic bioremediation is occurring in a fuel- or solvent-contaminated aquifer. A simple procedure is described for the collection and subsequent analys...

  9. POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN OPPOSED FLOW DIFFUSION FLAMES OF ETHANE. (R825412)

    EPA Science Inventory

    Abstract

    The effect of fuel-side carbon density on the levels of polycyclic aromatic hydrocarbon (PAH) formation in atmospheric pressure, opposed flow, ethane diffusion flames has been studied using heated micro-probe sampling and gas chromatography/mass spectrometry (...

  10. LABORATORY STUDIES ON THE IRRADIATION OF SOLID ETHANE ANALOG ICES AND IMPLICATIONS TO TITAN'S CHEMISTRY

    SciTech Connect

    Kim, Y. S.; Bennett, C. J.; Chen, L-H; Kaiser, R. I.; O'Brien, K.

    2010-03-10

    Pure ethane ices (C{sub 2}H{sub 6}) were irradiated at 10, 30, and 50 K under contamination-free, ultrahigh vacuum conditions with energetic electrons generated in the track of galactic cosmic-ray (GCR) particles to simulate the interaction of GCRs with ethane ices in the outer solar system. The chemical processing of the samples was monitored by a Fourier transform infrared spectrometer and a quadrupole mass spectrometer during the irradiation phase and subsequent warm-up phases on line and in situ in order to extract qualitative (products) and quantitative (rate constants and yields) information on the newly synthesized molecules. Six hydrocarbons, methane (CH{sub 4}), acetylene (C{sub 2}H{sub 2}), ethylene (C{sub 2}H{sub 4}), and the ethyl radical (C{sub 2}H{sub 5}), together with n-butane (C{sub 4}H{sub 10}) and butene (C{sub 4}H{sub 8}), were found to form at the radiation dose reaching 1.4 eV per molecule. The column densities of these species were quantified in the irradiated ices at each temperature, permitting us to elucidate the temperature and phase-dependent production rates of individual molecules. A kinetic reaction scheme was developed to fit column densities of those species produced during irradiation of amorphous/crystalline ethane held at 10, 30, or 50 K. In general, the yield of the newly formed molecules dropped consistently for all species as the temperature was raised from 10 K to 50 K. Second, the yield in the amorphous samples was found to be systematically higher than in the crystalline samples at constant temperature. A closer look at the branching ratios indicates that ethane decomposes predominantly to ethylene and molecular hydrogen, which may compete with the formation of n-butane inside the ethane matrix. Among the higher molecular products, n-butane dominates. Of particular relevance to the atmosphere of Saturn's moon Titan is the radiation-induced methane production from ethane-an alternative source of replenishing methane into the

  11. Ethane C-C clumping in natural gas : a proxy for cracking processes ?

    NASA Astrophysics Data System (ADS)

    Clog, M. D.; Ferreira, A. A.; Santos Neto, E. V.; Eiler, J. M.

    2014-12-01

    Ethane (C2H6) is the second-most abundant alkane in most natural gas reservoirs, and is used to produce ethylene for petrochemical industries. It is arguably the simplest molecule that can manifest multiple 13C substitutions. There are several plausible controls on ∆13C2H6in natural gas: thermodynamically controlled homogeneous isotope exchange reactions analogous to those behind carbonate clumped isotope thermometry; inheritance from larger biomolecules that undergo thermal degradation to produce natural gas; mixing of natural gases that differ markedly in bulk isotopic composition; diffusive fractionation; or combinations of these and/or other, less expected fractionations. There is little basis for predicting which of these will control isotopic variations among natural ethanes, but we think it likely that addition of this new isotopic proxy will reveal new insights into the natural chemistry of ethane. We have developed a method to measure the abundance of 13C2H6 in natural samples, using high-resolution mass spectrometry. We define ∆13C2H6 as 1000 . ((13C2H6/12C2H6)measured/(13C2H6/12C2H6)stochastic -1). We studied several suites of natural gas samples and experimentally produced or modified ethane. Natural ethanes, including closely related samples from a single natural gas field, exhibit surprisingly large ranges in ∆13C2H6 (4 ‰ overall; up to 3 ‰ in one gas field). Such ranges cannot be explained by thermodynamic equilibrium at a range of different temperatures, or by diffusive fractionation. Kinetic isotope effects associated with 'cracking' reactions, and/or inheritance of non-equilibrium carbon isotope structures from source organics are more likely causes. We observe a correlation between ∆13C2H6 and the concentration of alkanes other than methane in several suites of natural gases, suggesting the causes of clumped isotope variations are tied to the controls on gas wetness. An experiment examining ethane residual to high

  12. Identification of Methane, Ethane, and Propane Oxidizing Bacteria at Marine Hydrocarbon Seeps by Stable Isotope Probing

    NASA Astrophysics Data System (ADS)

    Redmond, M.; Ding, H.; Friedrich, M. W.; Valentine, D. L.

    2008-12-01

    Hydrocarbon seeps emit substantial amounts of oil and natural gas into the marine environment, where they can be oxidized by microorganisms in the sediment and water column. Here, we used stable isotope probing of DNA and lipid biomarkers to identify the microorganisms actively consuming 13C-labeled natural gas compounds in seep sediment samples. Surface sediment was collected from the Coal Oil Point seep field (offshore Santa Barbara, California, USA) and incubated under aerobic conditions with 13C labeled methane, ethane, or propane for up to 37 days, with sediment sub-samples taken at 3-4 intermediate time points. DNA was extracted from sediment and separated by CsCl density gradient centrifugation. The microbial community in each fraction was profiled using T-RFLP, and bacterial 16S rRNA gene clone libraries were constructed from un-incubated hydrocarbon seep sediment and selected isotopically 'heavy' (13C) and 'light' (12C) gradient fractions from ethane incubations. All clone libraries were dominated by sequences from members of the family Rhodobacteraceae (>25% of sequences) and a diverse group of Gammaproteobacteria, including sequences related to those of methylotrophs and to those of bacteria known to consume the longer-chain alkanes present in crude oil. After 14 days of incubation, the relative abundance of Rhodobacteraceae was higher in 'heavy' fractions from the 13C-ethane incubation than in 'light' fractions, suggesting incorporation of 13C label. The Rhodobacteraceae are very diverse metabolically, but have often been observed in abundance in oil contaminated seawater. Several members of this group have been shown to oxidize longer chain alkanes (C10 or higher), but none have been previously linked to the consumption of the gaseous alkanes ethane, propane, and butane. For the final time point, 13C content of phospholipid fatty acids (PLFA) were also analyzed, showing substantial incorporation of 13C over 37 days. In the methane incubation

  13. Novel Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation

    SciTech Connect

    Sun, Pingping; Siddiqi, Georges; Vining, William C.; Chi, Miaofang; Bell, Alexis T.

    2011-10-28

    Catalysts for the dehydrogenation of light alkanes were prepared by dispersing Pt on the surface of a calcined hydrotalcite-like support containing indium, Mg(In)(Al)O. Upon reduction in H{sub 2} at temperatures above 673 K, bimetallic particles of PtIn are observed by TEM, which have an average diameter of 1 nm. Analysis of Pt LIII-edge extended X-ray absorption fine structure (EXAFS) data shows that the In content of the bimetallic particles increases with increasing bulk In/Pt ratio and reduction temperature. Pt LIII-edge X-ray absorption near edge structure (XANES) indicates that an increasing donation of electronic charge from In to Pt occurs with increasing In content in the PtIn particles. The activity and selectivity of the Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation reactions are strongly dependent on the bulk In/Pt ratio. For both reactants, maximum activity was achieved for a bulk In/Pt ratio of 0.48, and at this In/Pt ratio, the selectivity to alkene was nearly 100%. Coke deposition was observed after catalyst use for either ethane or propane dehydrogenation, and it was observed that the alloying of Pt with In greatly reduced the amount of coke deposited. Characterization of the deposit by Raman spectroscopy indicates that the coke is present as highly disordered graphite particles <30 nm in diameter. While the amount of coke deposited during ethane and propane dehydrogenation are comparable, the effects on activity are dependent on reactant composition. Coke deposition had no effect on ethane dehydrogenation activity, but caused a loss in propane dehydrogenation activity. This difference is attributed to the greater ease with which coke produced on the surface of PtIn nanoparticles migrates to the support during ethane dehydrogenation versus propane dehydrogenation.

  14. Seasonal Variations of Temperature, Acetylene and Ethane in Saturn's Stratosphere from 2005 to 2010

    NASA Astrophysics Data System (ADS)

    Sinclair, James; Irwin, P. G. J.; Fletcher, L. N.; Moses, J. I.; Greathouse, T. K.; Friedson, A. J.; Hesman, B.; Hurley, J.; Merlet, C.

    2012-10-01

    Acetylene (C2H2) and ethane (C2H6) exemplify by-products of complex photochemistry in Saturn’s stratosphere. Their relative stability together with their strong vertical gradients in concentration allow for their use as tracers of vertical motion in Saturn’s lower stratosphere. Earlier studies of Saturn's hydrocarbons have provided only a snapshot of their behaviour with temporal variations remaining to be determined. In this study, we investigate how the thermal structure and concentrations of acetylene and ethane have evolved on Saturn with the changing season. We use FIRMAP (15.5 cm-1 spectral resolution) Cassini-CIRS observations, initially retrieve temperature and subsequently retrieve the abundances of acetylene and ethane. In comparing 2005, 2009 and 2010 results, we observe the disappearance of Saturn's southern warm polar hood with cooling of up to 18.6 K ± 0.9 K at 1.1 mbar south of 75°S (planetographic). This suggests dissipation of Saturn's south polar vortex in addition to an autumnal cooling. We observe a 20% ± 9% enrichment of acetylene and a 30% ± 10% enrichment of ethane at 2.1 mbar at 25°N, together with a 14% ± 9% depletion of acetylene and an 18% ± 7% depletion of ethane at the same altitude at 15°S. This suggests the presence of localised downwelling and upwelling at these latitudes, respectively. These vertical motions are consistent with a recently-developed GCM (global circulation model) of Saturn's tropopause and stratosphere, which predicts this pattern of upwelling and downwelling as a result of seasonally-reversing Hadley circulation.

  15. Ion Exchange Formation via Sulfonated Bicomponent Nonwovens

    NASA Astrophysics Data System (ADS)

    Stoughton, Hannah L.

    For many years ion exchange resins were used to: remove heavy metals from water, recover materials from wastewater, and eliminate harmful gases from the air. While use of these resin beads dominates the ion exchange industry, the beads have limitations that should be considered when decisions are made to employ them. For instance, officials must balance the inherent zero sum surface area and porosity of the materials. This series of studies investigates the use of bicomponent nonwovens as a base substrate for producing high surface area ion exchange materials for the removal of heavy metal ions. Functionalized materials were produced in a two-step process: (1) PET/PE spunbond bicomponent fibers were fractured completely, producing the high surface area nonwoven to be used as the base ion exchange material, and (2) the conditions for functionalizing the PET fibers of the nonwoven webs were investigated where an epoxy containing monomer was grafted to the surface followed by sulfonation of the monomer. The functionalization reactions of the PET fibers were monitored based on: weight gain, FTIR, TOF-SIMS, and SEM. Ion exchange properties were evaluated using titration and copper ion removal capacity from test solutions. The relationship between web structure and removal efficiency of the metal ions was defined through a comparison of the bicomponent and homocomponent nonwovens for copper ion removal efficiency. The investigation revealed that utilizing the high surface area, fractured bicomponent nonwoven ion exchange materials with capacities comparable to commercially available ion exchange resins could be produced.

  16. Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO 2 Mixture in Mesoporous CPG Silica

    DOE PAGES

    Patankar, Sumant; Gautam, Siddharth; Rother, Gernot; Podlesnyak, Andrey; Ehlers, Georg; Liu, Tingting; Cole, David R.; Tomasko, David L.

    2016-02-10

    It was found that ethane is confined to mineral and organic pores in certain shale formations. Effects of confinement on structural and dynamic properties of ethane in mesoporous controlled pore glass (CPG) were studied by gravimetric adsorption and quasi-elastic neutron scattering (QENS) measurements. The obtained isotherms and scattering data complement each other by quantifying the relative strength of the solid–fluid interactions and the transport properties of the fluid under confinement, respectively. We used a magnetic suspension balance to measure the adsorption isotherms at two temperatures and over a range of pressures corresponding to a bulk density range of 0.01–0.35 g/cm3.more » Key confinement effects were highlighted through differences between isotherms for the two pore sizes. A comparison was made with previously published isotherms for CO2 on the same CPG materials. Behavior of ethane in the smaller pore size was probed further using quasi-elastic neutron scattering. By extracting the self-diffusivity and residence time, we were able to study the effect of pressure and transition from gaseous to supercritical densities on the dynamics of confined ethane. Moreover, a temperature variation QENS study was also completed with pure ethane and a CO2–ethane mixture. Activation energies extracted from the Arrhenius plots show the effects of CO2 addition on ethane mobility.« less

  17. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    NASA Astrophysics Data System (ADS)

    Mendes, Stephanie D.; Redmond, Molly C.; Voigritter, Karl; Perez, Christian; Scarlett, Rachel; Valentine, David L.

    2015-03-01

    Simple hydrocarbon gases containing two to four carbons (ethane, propane, and butane) are among the most abundant compounds present in petroleum reservoirs, and are introduced into the ocean through natural seepage and industrial discharge. Yet little is known about the bacterial consumption of these compounds in ocean waters. To assess the timing by which microbes metabolize these gases, we conducted a three-phase study that tested and applied a radiotracer-based method to quantify the oxidation rates of ethane, propane, and butane in fresh seawater samples. Phase 1 involved the synthesis of tritiated ethane, propane, and butane using Grignard reagents and tritiated water. Phase 2 was a systematic assessment of experimental conditions, wherein the indigenous microbial community was found to rapidly oxidize ethane, propane, and butane. Phase 3 was the application of this tritium method near the Coal Oil Point seeps, offshore California. Spatial and temporal patterns of ethane, propane, and butane oxidation down current from the hydrocarbon seeps demonstrated that >99% of these gases are metabolized within 1.3 days following initial exposure. The oxidation of ethane outpaced oxidation of propane and butane with patterns indicating the microbial community responded to these gases by rapid adaptation or growth. Methane oxidation responded the slowest in plume waters. Estimates based on the observed metabolic rates and carbon mass balance suggest that ethane, propane, and butane-consuming microorganisms may transiently account for a majority of the total microbial community in these impacted waters.

  18. Laboratory Studies on the Irradiation of Solid Ethane Analog Ices and Implications to Titan's Chemistry

    NASA Astrophysics Data System (ADS)

    Kim, Y. S.; Bennett, C. J.; Chen, Li-Hsieh; O'Brien, K.; Kaiser, R. I.

    2010-03-01

    Pure ethane ices (C2H6) were irradiated at 10, 30, and 50 K under contamination-free, ultrahigh vacuum conditions with energetic electrons generated in the track of galactic cosmic-ray (GCR) particles to simulate the interaction of GCRs with ethane ices in the outer solar system. The chemical processing of the samples was monitored by a Fourier transform infrared spectrometer and a quadrupole mass spectrometer during the irradiation phase and subsequent warm-up phases on line and in situ in order to extract qualitative (products) and quantitative (rate constants and yields) information on the newly synthesized molecules. Six hydrocarbons, methane (CH4), acetylene (C2H2), ethylene (C2H4), and the ethyl radical (C2H5), together with n-butane (C4H10) and butene (C4H8), were found to form at the radiation dose reaching 1.4 eV per molecule. The column densities of these species were quantified in the irradiated ices at each temperature, permitting us to elucidate the temperature and phase-dependent production rates of individual molecules. A kinetic reaction scheme was developed to fit column densities of those species produced during irradiation of amorphous/crystalline ethane held at 10, 30, or 50 K. In general, the yield of the newly formed molecules dropped consistently for all species as the temperature was raised from 10 K to 50 K. Second, the yield in the amorphous samples was found to be systematically higher than in the crystalline samples at constant temperature. A closer look at the branching ratios indicates that ethane decomposes predominantly to ethylene and molecular hydrogen, which may compete with the formation of n-butane inside the ethane matrix. Among the higher molecular products, n-butane dominates. Of particular relevance to the atmosphere of Saturn's moon Titan is the radiation-induced methane production from ethane—an alternative source of replenishing methane into the atmosphere. Finally, we discuss to what extent the n-butane could be the

  19. Accurate values of some thermodynamic properties for carbon dioxide, ethane, propane, and some binary mixtures.

    PubMed

    Velasco, Inmaculada; Rivas, Clara; Martínez-López, José F; Blanco, Sofía T; Otín, Santos; Artal, Manuela

    2011-06-30

    Quasicontinuous PρT data of CO(2), ethane, propane, and the [CO(2) + ethane] mixture have been determined along subcritical, critical, and supercritical regions. These data have been used to develop the optimal experimental method and to determine the precision of the results obtained when using an Anton Paar DMA HPM vibrating-tube densimeter. A comparison with data from reference EoS and other authors confirm the quality of our experimental setup, its calibration, and testing. For pure compounds, the value of the mean relative deviation is MRD(ρ) = 0.05% for the liquid phase and for the extended critical and supercritical region. For binary mixtures the mean relative deviation is MRD(ρ) = 0.70% in the range up to 20 MPa and MRD(ρ) = 0.20% in the range up to 70 MPa. The number of experimental points measured and their just quality have enable us to determine some derivated properties with satisfactory precision; isothermal compressibilities, κ(T), have been calculated for CO(2) and ethane (MRD(κ(T)) = 1.5%), isobaric expasion coefficients, α(P), and internal pressures, π(i), for CO(2) (MRD(α(P)) = 5% and MRD(π(i)) = 7%) and ethane (MRD(α(P)) = 7.5% and MRD(π(i)) = 8%). An in-depth discussion is presented on the behavior of the properties obtained along subcritical, critical, and supercritical regions. In addition, PuT values have been determined for water and compressed ethane from 273.19 to 463.26 K up to pressures of 190.0 MPa, using a device based on a 5 MHz pulsed ultrasonic system (MRD(u) = 0.1%). With these data we have calibrated the apparatus and have verified the adequacy of the operation with normal liquids as well as with some compressed gases. From density and speed of sound data of ethane, isentropic compressibilities, κ(s), have been obtained, and from these and our values for κ(T) and α(P), isobaric heat capacities, C(p), have been calculated with MRD(C(p)) = 3%, wich is within that of the EoS. PMID:21639086

  20. C-H and C-C clumping in ethane by high-resolution mass spectrometry

    NASA Astrophysics Data System (ADS)

    Clog, M. D.; Eiler, J. M.

    2014-12-01

    Ethane (C2H6) is an important natural compound, and its geochemistry can be studied through 13C-13C, 13C-D and/or D-D clumping. Such measurements are potentially important both as a stepping stone towards the study of more complex organic molecules and, in its own regard, to understand processes controlling the generation, migration and destruction of natural gas. Isotopic clumping on C-C and C-H bonds could be influenced by thermodynamics, chemical kinetics, diffusion or gas mixing. Previous work showed that 13C-D clumping in methane generally reflects equilibrium and provides a measure of formation temperature (Stolper et al 2014a), whereas 13C-13C clumping in ethane is likely most controlled by chemical-kinetic processes and/or inheritance from the isotopic structure of source organic compounds (Clog et al 2014). 13C-D clumping in ethane has the potential to provide a thermometer for its synthesis, as it does for methane. However, the difference in C-H bond dissociation energy for these two compounds may suggest a lower 'blocking temperature' for this phenomenon in ethane (the blocking temperature for methane is ≥~250 C in geological conditions). We present analytical techniques to measure both 13C-13C and 13C-D clumping in ethane, using a novel two-instrument technique, including both the Thermo 253-Ultra and the Thermo DFS. In this method, the Ultra is used to measure the relative abundances of combinations nearly isobaric isotopologues: (13C12CH6 + 12C2DH5)/12C2H6 and (13C2H6 + 12C13CDH5)/12C2H6, free of other isobaric interferences like O2. The DFS, a very high resolution single-collector instrument, is then used to measure the ratios of isotopologues of ethane at a single cardinal mass: 12C2DH5/13C12CH6, and 12C13CDH5/13C2H6, with precisions of ~1 permil. Those 4 measurements allow us to calculate the bulk isotopic composition (D and 13C) as well as the abundance of 13C2H6 and 13C12CDH5. We also present progress on the development of software tools

  1. Studies of the condensation of sulfones with ketones and aldehydes.

    PubMed

    Garst, Michael E; Dolby, Lloyd J; Esfandiari, Shervin; Okrent, Rachel A; Avey, Alfred A

    2006-01-20

    [reaction: see text] The condensation of ketones or aldehydes with sulfones was shown to give a variety of products. Condensation of 2-methylcyclohexanone with dimethyl sulfone using potassium t-butoxide as base gave useful yields of 1,2-dimethylenecyclohexane. Under the same conditions, cycloheptanone, 3-methyl-2-butanone, and 2-butanone were converted to dienes. Remarkably, these reaction conditions converted acetophenone into p-terphenyl (10%) and (E)-1,4-diphenyl-3-penten-1-one (44%). Propiophenone was converted to 2'-methyl-p-terphenyl (61%). Using alpha-tetralone produced 1-methynaphthalene and naphthalene. No reaction took place with beta-tetralone. Using diethyl sulfone with alpha-tetralone lead to pure naphthalene. Condensation of isobutyraldehyde and dimethyl sulfone using potassium t-butoxide gave isoprene in low yield. Using benzaldehyde and benzyl phenyl sulfone in N,N-dimethylacetamide gave 1,2-diphenyl-1-phenylsulfonylethylene, N,N-dimethylcinnamide, and a complex condensation product. Only 1,2-diphenyl-1-phenylsulfonylethylene was obtained when the solvent was THF. PMID:16408963

  2. Detection of Pesticides and Pesticide Metabolites Using the Cross Reactivity of Enzyme Immunoassays

    USGS Publications Warehouse

    Thurman, E.M.; Aga, D.S.

    2001-01-01

    Enzyme immunoassay is an important environmental analysis method that may be used to identify many pesticide analytes in water samples. Because of similarities in chemical structure between various members of a pesticide class, there often may be an unwanted response that is characterized by a percentage of cross reactivity. Also, there may be cross reactivity caused by degradation products of the target analyte that may be present in the sample. In this paper, the concept of cross reactivity caused by degradation products or by nontarget analytes is explored as a tool for identification of metabolites or structurally similar compounds not previously known to be present in water samples. Two examples are examined in this paper from various water quality studies. They are alachlor and its metabolite, alachlor ethane sulfonic acid, and atrazine and its class members, prometryn and propazine. A method for using cross reactivity for the detection of these compounds is explained in this paper.

  3. AIRBORNE, OPTICAL REMOTE SENSNG OF METHANE AND ETHANE FOR NATURAL GAS PIPELINE LEAK DETECTION

    SciTech Connect

    Jerry Myers

    2005-04-15

    Ophir Corporation was awarded a contract by the U. S. Department of Energy, National Energy Technology Laboratory under the Project Title ''Airborne, Optical Remote Sensing of Methane and Ethane for Natural Gas Pipeline Leak Detection'' on October 14, 2002. The scope of the work involved designing and developing an airborne, optical remote sensor capable of sensing methane and, if possible, ethane for the detection of natural gas pipeline leaks. Flight testing using a custom dual wavelength, high power fiber amplifier was initiated in February 2005. Ophir successfully demonstrated the airborne system, showing that it was capable of discerning small amounts of methane from a simulated pipeline leak. Leak rates as low as 150 standard cubic feet per hour (scf/h) were detected by the airborne sensor.

  4. Atmospheric pressure ionization of chlorinated ethanes in ion mobility spectrometry and mass spectrometry

    SciTech Connect

    Ewing, Robert G.; Atkinson, David A.; Benson, Michael T.

    2015-05-16

    This study investigates the APCI mechanisms associated with chlorinated ethanes in an attempt to define conditions under which unique pseudo-molecular adducts, in addition to chloride ion, can be produced for analytical measurements using IMS and MS. The ionization chemistry of chlorinated compounds typically leads to the detection of only the halide ions. Using molecular modeling, which provides insights into the ion formation and relative binding energies, predictions for the formation of pseudo-molecular adducts are postulated. Predicted structures of the chloride ion with multiple hydrogens on the ethane backbone was supported by the observation of specific pseudo-molecular adducts in IMS and MS spectra. With the proper instrumental conditions, such as short reaction times and low temp.

  5. Vapor-liquid equilibria of binary mixtures containing methane, ethane, and carbon dioxide from molecular simulation

    NASA Astrophysics Data System (ADS)

    Vrabec, J.; Fischer, J.

    1996-07-01

    The NpT + test particle method is used in order to predict vapor-liquid equilibria of the mixtures methane + ethane, methane + carbon dioxide, and carbon dioxide +ethane by molecular simulations. The pure-component molecular models were fitted to the experimental vapor pressures and saturated liquid densities in previous papers, which used the same simulation method for the determination of the phase equilibria. For each binary mixture the two unlike interaction parameters were determined from one experimental excess volume and one excess enthalpy. Based on these molecular models the vapor-liquid phase equilibria were calculated for each mixture at three temperatures. Comparison of the pressure-composition data with experimental results shows the high predictive power of this molecular based procedure. This statement is confirmed by additional comparisons of the pressure-composition diagrams and the pressure-density diagrams with results from equations of state.

  6. Isotopic fractionation of methane and ethane hydrates between gas and hydrate phases

    NASA Astrophysics Data System (ADS)

    Hachikubo, Akihiro; Kosaka, Tomoko; Kida, Masato; Krylov, Alexey; Sakagami, Hirotoshi; Minami, Hirotsugu; Takahashi, Nobuo; Shoji, Hitoshi

    2007-11-01

    Isotopic fractionation of carbon and hydrogen in methane and ethane during the formation of gas hydrates was investigated. The gas hydrate samples were experimentally prepared in a pressure cell and isotopic compositions of both residual and hydrate-bound gases were measured. δD of hydrate-bound molecules of methane and ethane hydrates was several per mil lower than that of residual gas molecules in the formation processes, while there was no difference in the case of δ 13C. These isotopic differences in δD are enough small for discussing the source types of hydrate-bound gases using the δ 13C-δD diagram of Whiticar et al. [1986]. These results may provide useful insight into the formation process of gas hydrates.

  7. Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane

    NASA Astrophysics Data System (ADS)

    Ali, Esam; Nixon, Kate; Murray, Andrew; Ning, Chuangang; Colgan, James; Madison, Don

    2015-10-01

    We have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei (H2O , N H3 , C H4 ). All of these molecules have ten electrons; however, they vary in their molecular symmetry. We found that the triple-differential cross sections (TDCSs) for the highest occupied molecular orbitals (HOMOs) were similar, as was the character of the HOMO orbitals which had a p -type "peanut" shape. In this work, we examine ethane (C2H6 ) which is a molecule that has two large atoms surrounded by H nuclei, so that its HOMO has a double-peanut shape. The experiment was performed using a coplanar symmetric geometry (equal final-state energies and angles). We find the TDCS for ethane is similar to the single-center molecules at higher energies, and is similar to a diatomic molecule at lower energies.

  8. Sulfonation Pathway Inhibitors Block Reactivation of Latent HIV-1

    PubMed Central

    Murry, Jeffrey P.; Godoy, Joseph; Mukim, Amey; Swann, Justine; Bruce, James W.; Ahlquist, Paul; Bosque, Alberto; Planelles, Vicente; Spina, Celsa A.; Young, John A. T.

    2015-01-01

    Long-lived pools of latently infected cells are a significant barrier to the development of a cure for HIV-1 infection. A better understanding of the mechanisms of reactivation from latency is needed to facilitate the development of novel therapies that address this problem. Here we show that chemical inhibitors of the sulfonation pathway prevent virus reactivation, both in latently infected J-Lat and U1 cell lines and in a primary human CD4+ T cell model of latency. In each of these models, sulfonation inhibitors decreased transcription initiation from the HIV-1 promoter. These inhibitors block transcription initiation at a step that lies downstream of nucleosome remodeling and affects RNA polymerase II recruitment to the viral promoter. These results suggest that the sulfonation pathway acts by a novel mechanism to regulate efficient virus transcription initiation during reactivation from latency, and further that augmentation of this pathway could be therapeutically useful. PMID:25310595

  9. Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

    DOE PAGES

    Zhang, Yiming; Li, Baiyan; Wu, Zili; Ma, Shengqian

    2015-01-09

    The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

  10. Niobium phosphates as new highly selective catalysts for the oxidative dehydrogenation of ethane.

    PubMed

    Weng, Weihao; Davies, Mathew; Whiting, Gareth; Solsona, Benjamin; Kiely, Christopher J; Carley, Albert F; Taylor, Stuart H

    2011-10-14

    Several niobium phosphate phases have been prepared, fully characterized and tested as catalysts for the selective oxidation of ethane to ethylene. Three distinct niobium phosphate catalysts were prepared, and each was comprised predominantly of a different bulk phase, namely Nb(2)P(4)O(15), NbOPO(4) and Nb(1.91)P(2.82)O(12). All of the niobium phosphate catalysts showed high selectivity towards ethylene, but the best catalyst was Nb(1.91)P(2.82)O(12), which was produced from the reduction of niobium oxide phosphate (NbOPO(4)) by hydrogen. It was particularly selective for ethylene, giving ca. 95% selectivity at 5% conversion, decreasing to ca. 90% at 15% conversion, and only produced low levels of carbon oxides. It was also determined that the only primary product from ethane oxidation over this catalyst was ethylene. Catalyst activity also increased with time-on-line, and this behaviour was ascribed to an increase of the concentration of the Nb(1.91)P(2.82)O(12) phase, as partially transformed NbOPO(4), formed during preparation, was converted to Nb(1.91)P(2.82)O(12) during use. Catalysts with predominant phases of Nb(2)P(4)O(15) and NbOPO(4) also showed appreciable activity and selectivities to ethylene with values around 75% and 85% respectively at 5% ethane conversion. The presence of phosphorous is required to achieve high ethylene selectivity, as orthorhombic and monoclinic Nb(2)O(5) catalysts showed similar activity, but displayed selectivities to ethylene that were <20% under the same reaction conditions. To the best of our knowledge, this is the first time that niobium phosphates have been shown to be highly selective catalysts for the oxidation of ethane to ethylene, and demonstrates that they are worthy candidates for further study. PMID:21881631

  11. Fragrance material review on 1-(2,5,5-trimethylcycloheptyl)ethan-1-one.

    PubMed

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-(2,5,5-trimethylcycloheptyl)ethan-1-one when used as a fragrance ingredient is presented. 1-(2,5,5-Trimethylcycloheptyl)ethan-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(2,5,5-trimethylcycloheptyl)ethan-1-one were evaluated then summarized and includes physical properties, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A toxicologic and dermatologic assessment of alkyl cyclic ketones when used as fragrance ingredients. (submitted for publication)) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  12. Fragrance material review on 1-(3,3-dimethylcyclohexyl)ethan-1-one.

    PubMed

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A Toxicologic and Dermatologic review of 1-(3,3-dimethylcyclohexyl)ethan-1-one when used as a fragrance ingredient is presented. 1-(3,3-Dimethylcyclohexyl)ethan-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(3,3-dimethylcyclohexyl)ethan-1-one were evaluated then summarized and includes physical properties, skin irritation, mucous membrane (eye) irritation, skin sensitization, and genotoxicity data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al., 2013(1) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances.

  13. Benzophenone as a probe of local cosolvent effects in supercritical ethane

    SciTech Connect

    Knutson, B.L.; Sherman, S.R.; Bennett, K.L.; Liotta, C.L.; Eckert, C.A.

    1997-03-01

    The n {yields} {pi}* shift of benzophenone has been used to quantify solute-cosolvent interactions in supercritical ethane. Dilute solutions of benzophenone in cosolvent/supercritical ethane mixtures were studied at 35 C from 50 to 100 bar over a range of cosolvent concentrations. The following cosolvents were chosen for investigation on the basis of their varying abilities to interact with benzophenone: 2,2,2-trifluoroethanol, ethanol, chloroform, propionitrile, 1,2-dibromoethane, and 1,1,1-trichloroethane. In the supercritical systems investigated here, hydrogen bonding of protic cosolvents to the carbonyl oxygen of benzophenone is the primary mechanism of the n {yields} {pi}* shift. The results of this investigation are consistent with a chemical-physical interpretation of cosolvent effects in supercritical fluids in the presence of strong specific solute-cosolvent interactions. The experimental results for the ethane/TFE/benzophenone system were analyzed by using integral equations in order to study the assumptions of the chemical-physical model. This combination of spectroscopic data with radial distribution function models provides a powerful tool for understanding cosolvent effects.

  14. Sorption of methane, ethane, propane, butane, carbon dioxide, and nitrogen on kerogen

    NASA Astrophysics Data System (ADS)

    Pribylov, A. A.; Skibitskaya, N. A.; Zekel', L. A.

    2014-06-01

    Sorption isotherms of nitrogen, methane (in the pressure range of 0.1-40 MPa), ethane (0.1-3.7MPa), propane (0.01-1 MPa), butane (0.01-0.2 MPa), and carbon dioxide (0.1-6 MPa) are measured on two adsorbents with kerogen contents of 16 and 75% at temperatures of 303, 323, 343 K. Adsorption volumes are calculated for all adsorption systems using two independent methods. The BET technique is used to determine the surface area values of the two adsorbents on the basis of sorption data for ethane, propane, butane, and carbon dioxide. The initial and isosteric adheat of sorption values are calculated on the basis of sorption isotherms of ethane, propane, butane, carbon dioxide measured at three temperatures. It is found from comparing the dependences of isosteric heat of sorption on the two adsorbents that molecules of the above gases diffuse into its bulk (adsorbent 2) in addition to sorbing on the outside surface formed by kerogen molecules, while sorption of the same gases on the rock (adsorbent 1) is similar to sorption on a smooth hard adsorbent surface.

  15. Real-Time Measurements of Ethane for Source Attribution of Methane Plumes from Oil and Gas Facilities

    NASA Astrophysics Data System (ADS)

    Yacovitch, T. I.; Floerchinger, C.; Roscioli, J. R.; Herndon, S.; Fortner, E.; Knighton, W. B.; Petron, G.; Sweeney, C.; Karion, A.; Kofler, J.; Iglesias, G.; Zavala, M. A.; Molina, L. T.

    2013-12-01

    The Aerodyne Mobile Lab has conducted several recent studies of the methane emissions from Oil and Gas facilities at varying stages of production: well-heads; processing facilities; and compressor stations. Accurate quantification of methane emission rates are can be complicated by other local sources, notably livestock and microbial production. Methane emissions from oil and gas facilities are always accompanied by small amounts of ethane, while biogenic plumes contain no ethane. A prototype ethane spectrometer based on the Aerodyne-Mini chassis, has been deployed to oil and gas facilities in the Veracruz region of Mexico, as part of the 2013 Short-Lived Climate-Forcing project, and during ground-based measurements in the Barnett Shale in Texas as part of the Barnett Oil and Gas Observation Study. These results suggest a source-dependence in the ethane-to-methane ratio in oil and gas emissions. The results will be contrasted with 13CH4 methane isotope ratios determined using Aerodyne's Methane-Dual instrument. The limits and advantages of ethane-methane ratios and methane isotopes will be discussed. In the current instrumentation, the precision of determined ethane-to-methane ratios in a single plume encounter exceeds the analogous carbon isotope quantification.

  16. Sulfur and hydrogen isotope anomalies in meteorite sulfonic acids.

    PubMed

    Cooper, G W; Thiemens, M H; Jackson, T L; Chang, S

    1997-08-22

    Intramolecular carbon, hydrogen, and sulfur isotope ratios were measured on a homologous series of organic sulfonic acids discovered in the Murchison meteorite. Mass-independent sulfur isotope fractionations were observed along with high deuterium/hydrogen ratios. The deuterium enrichments indicate formation of the hydrocarbon portion of these compounds in a low-temperature environment that is consistent with that of interstellar clouds. Sulfur-33 enrichments observed in methanesulfonic acid could have resulted from gas-phase ultraviolet irradiation of a precursor, carbon disulfide. The source of the sulfonic acid precursors may have been the reactive interstellar molecule carbon monosulfide.

  17. Sulfur and Hydrogen Isotope Anomalies in Meteorite Sulfonic Acids

    NASA Technical Reports Server (NTRS)

    Cooper, George W.; Thiemens, Mark H.; Jackson, Teresa L.; Chang, Sherwood

    1997-01-01

    Intramolecular carbon, hydrogen, and sulfur isotope ratios were measured on a homologous series of organic sulfonic acids discovered in the Murchison meteorite. Mass-independent sulfur isotope fractionations were observed along with high deuterium/hydrogen ratios. The deuterium enrichments indicate formation of the hydrocarbon portion of these compounds in a low-temperature environment that is consistent with that of interstellar clouds. Sulfur-33 enrichments observed in methanesulfonic acid could have resulted from gas-phase ultraviolet irradiation of a precursor, carbon disulfide. The source of the sulfonic acid precursors may have been the reactive interstellar molecule carbon monosulfide.

  18. 40 CFR 417.110 - Applicability; description of the SO3 solvent and vacuum sulfonation subcategory.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... solvent and vacuum sulfonation subcategory. 417.110 Section 417.110 Protection of Environment... POINT SOURCE CATEGORY SO3 Solvent and Vacuum Sulfonation Subcategory § 417.110 Applicability; description of the SO3 solvent and vacuum sulfonation subcategory. The provisions of this subpart...

  19. 40 CFR 417.110 - Applicability; description of the SO3 solvent and vacuum sulfonation subcategory.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... solvent and vacuum sulfonation subcategory. 417.110 Section 417.110 Protection of Environment... POINT SOURCE CATEGORY SO3 Solvent and Vacuum Sulfonation Subcategory § 417.110 Applicability; description of the SO3 solvent and vacuum sulfonation subcategory. The provisions of this subpart...

  20. 40 CFR 417.110 - Applicability; description of the SO3 solvent and vacuum sulfonation subcategory.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... solvent and vacuum sulfonation subcategory. 417.110 Section 417.110 Protection of Environment... POINT SOURCE CATEGORY SO3 Solvent and Vacuum Sulfonation Subcategory § 417.110 Applicability; description of the SO3 solvent and vacuum sulfonation subcategory. The provisions of this subpart...

  1. 40 CFR 417.110 - Applicability; description of the SO3 solvent and vacuum sulfonation subcategory.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... solvent and vacuum sulfonation subcategory. 417.110 Section 417.110 Protection of Environment... POINT SOURCE CATEGORY SO3 Solvent and Vacuum Sulfonation Subcategory § 417.110 Applicability; description of the SO3 solvent and vacuum sulfonation subcategory. The provisions of this subpart...

  2. 40 CFR 417.110 - Applicability; description of the SO3 solvent and vacuum sulfonation subcategory.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... solvent and vacuum sulfonation subcategory. 417.110 Section 417.110 Protection of Environment... POINT SOURCE CATEGORY SO3 Solvent and Vacuum Sulfonation Subcategory § 417.110 Applicability; description of the SO3 solvent and vacuum sulfonation subcategory. The provisions of this subpart...

  3. 40 CFR 721.6220 - Aryl sulfonate of a fatty acid mixture, polyamine condensate.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aryl sulfonate of a fatty acid mixture... Specific Chemical Substances § 721.6220 Aryl sulfonate of a fatty acid mixture, polyamine condensate. (a... generically as an aryl sulfonate of a fatty acid mixture, polyamine condensate (PMN P-91-584) is subject...

  4. 40 CFR 721.5425 - α-Olefin sulfonate, potassium salts.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false α-Olefin sulfonate, potassium salts... Substances § 721.5425 α-Olefin sulfonate, potassium salts. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as an α-olefin sulfonate, potassium salt...

  5. 40 CFR 721.6220 - Aryl sulfonate of a fatty acid mixture, polyamine condensate.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Aryl sulfonate of a fatty acid mixture... Specific Chemical Substances § 721.6220 Aryl sulfonate of a fatty acid mixture, polyamine condensate. (a... generically as an aryl sulfonate of a fatty acid mixture, polyamine condensate (PMN P-91-584) is subject...

  6. 40 CFR 721.2565 - Alkylated sulfonated diphenyl oxide, alkali and amine salts.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkylated sulfonated diphenyl oxide... New Uses for Specific Chemical Substances § 721.2565 Alkylated sulfonated diphenyl oxide, alkali and... substances identified as alkylated sulfonated diphenyl oxide, alkali salt (PMN P-93-352) and...

  7. 40 CFR 721.950 - Sodium salt of an alkylated, sulfonated aromatic (generic name).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ..., sulfonated aromatic (generic name). 721.950 Section 721.950 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.950 Sodium salt of an alkylated, sulfonated... chemical substance identified generically as a sodium salt of an alkylated, sulfonated aromatic (PMN...

  8. 40 CFR 721.9597 - Salt of a substituted sulfonated aryl azo compound (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Salt of a substituted sulfonated aryl... New Uses for Specific Chemical Substances § 721.9597 Salt of a substituted sulfonated aryl azo... substance identified generically as salt of a substituted sulfonated aryl azo compound (PMN P-00-0094)...

  9. 40 CFR 721.5450 - α-Olefin sulfonate, sodium salt.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false α-Olefin sulfonate, sodium salt. 721... Substances § 721.5450 α-Olefin sulfonate, sodium salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as α-olefin sulfonate, sodium...

  10. 40 CFR 721.950 - Sodium salt of an alkylated, sulfonated aromatic (generic name).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., sulfonated aromatic (generic name). 721.950 Section 721.950 Protection of Environment ENVIRONMENTAL... Significant New Uses for Specific Chemical Substances § 721.950 Sodium salt of an alkylated, sulfonated... chemical substance identified generically as a sodium salt of an alkylated, sulfonated aromatic (PMN...

  11. 40 CFR 721.9597 - Salt of a substituted sulfonated aryl azo compound (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Salt of a substituted sulfonated aryl... New Uses for Specific Chemical Substances § 721.9597 Salt of a substituted sulfonated aryl azo... substance identified generically as salt of a substituted sulfonated aryl azo compound (PMN P-00-0094)...

  12. 40 CFR 721.2565 - Alkylated sulfonated diphenyl oxide, alkali and amine salts.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkylated sulfonated diphenyl oxide... New Uses for Specific Chemical Substances § 721.2565 Alkylated sulfonated diphenyl oxide, alkali and... substances identified as alkylated sulfonated diphenyl oxide, alkali salt (PMN P-93-352) and...

  13. 40 CFR 721.5450 - α-Olefin sulfonate, sodium salt.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false α-Olefin sulfonate, sodium salt. 721... Substances § 721.5450 α-Olefin sulfonate, sodium salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as α-olefin sulfonate, sodium...

  14. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  15. 40 CFR 721.10437 - Sulfonic acid, linear xylene alkylate, mono, sodium salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Sulfonic acid, linear xylene alkylate... Significant New Uses for Specific Chemical Substances § 721.10437 Sulfonic acid, linear xylene alkylate, mono... chemical substances identified generically as sulfonic acid, linear xylene alkylate, mono, sodium...

  16. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  17. 40 CFR 721.10437 - Sulfonic acid, linear xylene alkylate, mono, sodium salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Sulfonic acid, linear xylene alkylate... Significant New Uses for Specific Chemical Substances § 721.10437 Sulfonic acid, linear xylene alkylate, mono... chemical substances identified generically as sulfonic acid, linear xylene alkylate, mono, sodium...

  18. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  19. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  20. 40 CFR 721.644 - Amines, C12-14-tert-alkyl, sulfonates.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Amines, C12-14-tert-alkyl, sulfonates... Substances § 721.644 Amines, C12-14-tert-alkyl, sulfonates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amines, C12-14-tert-alkyl, sulfonates...

  1. 40 CFR 721.644 - Amines, C12-14-tert-alkyl, sulfonates.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Amines, C12-14-tert-alkyl, sulfonates... Substances § 721.644 Amines, C12-14-tert-alkyl, sulfonates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amines, C12-14-tert-alkyl, sulfonates...

  2. 40 CFR 721.644 - Amines, C12-14-tert-alkyl, sulfonates.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Amines, C12-14-tert-alkyl, sulfonates... Substances § 721.644 Amines, C12-14-tert-alkyl, sulfonates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amines, C12-14-tert-alkyl, sulfonates...

  3. 40 CFR 721.644 - Amines, C12-14-tert-alkyl, sulfonates.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amines, C12-14-tert-alkyl, sulfonates... Substances § 721.644 Amines, C12-14-tert-alkyl, sulfonates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amines, C12-14-tert-alkyl, sulfonates...

  4. 40 CFR 721.644 - Amines, C12-14-tert-alkyl, sulfonates.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Amines, C12-14-tert-alkyl, sulfonates... Substances § 721.644 Amines, C12-14-tert-alkyl, sulfonates. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as amines, C12-14-tert-alkyl, sulfonates...

  5. 40 CFR 721.10564 - Mixed amino diaryl sulfone isomers (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Mixed amino diaryl sulfone isomers... Specific Chemical Substances § 721.10564 Mixed amino diaryl sulfone isomers (generic). (a) Chemical... as mixed amino diaryl sulfone isomers (PMN P-08-39) is subject to reporting under this section...

  6. 40 CFR 721.10564 - Mixed amino diaryl sulfone isomers (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Mixed amino diaryl sulfone isomers... Specific Chemical Substances § 721.10564 Mixed amino diaryl sulfone isomers (generic). (a) Chemical... as mixed amino diaryl sulfone isomers (PMN P-08-39) is subject to reporting under this section...

  7. 40 CFR 721.9674 - Sulfonated-copper phthalocyanine salt of a triarylmethane dye (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Sulfonated-copper phthalocyanine salt... Significant New Uses for Specific Chemical Substances § 721.9674 Sulfonated-copper phthalocyanine salt of a... chemical substance identified generically as sulfonated-copper phthalocyanine salt of a triarylmethane...

  8. 40 CFR 721.9674 - Sulfonated-copper phthalocyanine salt of a triarylmethane dye (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Sulfonated-copper phthalocyanine salt... Significant New Uses for Specific Chemical Substances § 721.9674 Sulfonated-copper phthalocyanine salt of a... chemical substance identified generically as sulfonated-copper phthalocyanine salt of a triarylmethane...

  9. 40 CFR 721.9674 - Sulfonated-copper phthalocyanine salt of a triarylmethane dye (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Sulfonated-copper phthalocyanine salt... Significant New Uses for Specific Chemical Substances § 721.9674 Sulfonated-copper phthalocyanine salt of a... chemical substance identified generically as sulfonated-copper phthalocyanine salt of a triarylmethane...

  10. 40 CFR 721.9674 - Sulfonated-copper phthalocyanine salt of a triarylmethane dye (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Sulfonated-copper phthalocyanine salt... Significant New Uses for Specific Chemical Substances § 721.9674 Sulfonated-copper phthalocyanine salt of a... chemical substance identified generically as sulfonated-copper phthalocyanine salt of a triarylmethane...

  11. 40 CFR 721.9674 - Sulfonated-copper phthalocyanine salt of a triarylmethane dye (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Sulfonated-copper phthalocyanine salt... Significant New Uses for Specific Chemical Substances § 721.9674 Sulfonated-copper phthalocyanine salt of a... chemical substance identified generically as sulfonated-copper phthalocyanine salt of a triarylmethane...

  12. 40 CFR 721.5425 - α-Olefin sulfonate, potassium salts.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false α-Olefin sulfonate, potassium salts... Substances § 721.5425 α-Olefin sulfonate, potassium salts. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as an α-olefin sulfonate, potassium salt...

  13. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  14. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  15. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  16. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  17. 40 CFR 721.9595 - Alkyl benzene sulfonic acids and alkyl sulfates, amine salts (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkyl benzene sulfonic acids and alkyl... Significant New Uses for Specific Chemical Substances § 721.9595 Alkyl benzene sulfonic acids and alkyl...) The chemical substances identified generically as alkyl benzene sulfonic acids and alkyl...

  18. 40 CFR 721.9620 - Aromatic sulfonic acid compound with amine.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic sulfonic acid compound with... Specific Chemical Substances § 721.9620 Aromatic sulfonic acid compound with amine. (a) Chemical substance... aromatic sulfonic acid compound with amine (PMN P-93-832) is subject to reporting under this section...

  19. 40 CFR 721.5450 - α-Olefin sulfonate, sodium salt.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false α-Olefin sulfonate, sodium salt. 721... Substances § 721.5450 α-Olefin sulfonate, sodium salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as α-olefin sulfonate, sodium...

  20. 40 CFR 721.5425 - α-Olefin sulfonate, potassium salts.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false α-Olefin sulfonate, potassium salts... Substances § 721.5425 α-Olefin sulfonate, potassium salts. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as an α-olefin sulfonate, potassium salt...

  1. 40 CFR 721.5425 - α-Olefin sulfonate, potassium salts.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false α-Olefin sulfonate, potassium salts... Substances § 721.5425 α-Olefin sulfonate, potassium salts. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as an α-olefin sulfonate, potassium salt...

  2. 40 CFR 721.5450 - α-Olefin sulfonate, sodium salt.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false α-Olefin sulfonate, sodium salt. 721... Substances § 721.5450 α-Olefin sulfonate, sodium salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as α-olefin sulfonate, sodium...

  3. 40 CFR 721.5450 - α-Olefin sulfonate, sodium salt.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false α-Olefin sulfonate, sodium salt. 721... Substances § 721.5450 α-Olefin sulfonate, sodium salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as α-olefin sulfonate, sodium...

  4. 40 CFR 721.5425 - α-Olefin sulfonate, potassium salts.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false α-Olefin sulfonate, potassium salts... Substances § 721.5425 α-Olefin sulfonate, potassium salts. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as an α-olefin sulfonate, potassium salt...

  5. 40 CFR 721.10633 - Aromatic sulfonic acid amino azo dye salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Aromatic sulfonic acid amino azo dye... Specific Chemical Substances § 721.10633 Aromatic sulfonic acid amino azo dye salts (generic). (a) Chemical... as aromatic sulfonic acid amino azo dye salts (PMN P-12-276) is subject to reporting under...

  6. 40 CFR 721.6220 - Aryl sulfonate of a fatty acid mixture, polyamine condensate.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Aryl sulfonate of a fatty acid mixture... Specific Chemical Substances § 721.6220 Aryl sulfonate of a fatty acid mixture, polyamine condensate. (a... generically as an aryl sulfonate of a fatty acid mixture, polyamine condensate (PMN P-91-584) is subject...

  7. 40 CFR 721.6220 - Aryl sulfonate of a fatty acid mixture, polyamine condensate.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Aryl sulfonate of a fatty acid mixture... Specific Chemical Substances § 721.6220 Aryl sulfonate of a fatty acid mixture, polyamine condensate. (a... generically as an aryl sulfonate of a fatty acid mixture, polyamine condensate (PMN P-91-584) is subject...

  8. 40 CFR 721.6220 - Aryl sulfonate of a fatty acid mixture, polyamine condensate.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Aryl sulfonate of a fatty acid mixture... Specific Chemical Substances § 721.6220 Aryl sulfonate of a fatty acid mixture, polyamine condensate. (a... generically as an aryl sulfonate of a fatty acid mixture, polyamine condensate (PMN P-91-584) is subject...

  9. Occurrence and load of selected herbicides and metabolites in the lower Mississippi River

    USGS Publications Warehouse

    Clark, G.M.; Goolsby, D.A.

    2000-01-01

    Analyses of water samples collected from the Mississippi River at Baton Rouge, Louisiana, during 1991-1997 indicate that hundreds of metric tons of herbicides and herbicide metabolites are being discharged annually to the Gulf of Mexico. Atrazine, metolachlor, and the ethane-sulfonic acid metabolite of alachlor (alachlor ESA) were the most frequently detected herbicides and, in general, were present in the largest concentrations. Almost 80% of the annual herbicide load to the Gulf of Mexico occurred during the growing season from May to August. The concentrations and loads of alachlor in the Mississippi River decreased dramatically after 1993 in response to decreased use in the basin. In contrast, the concentrations and loads of acetochlor increased after 1994, reflecting its role as a replacement for alachlor. The peak annual herbicide load occurred in 1993, when approximately 640 metric tons (t) of atrazine, 320 t of cyanazine, 215 t of metolachlor, 53 t of simazine, and 50 t of alachlor were discharged to the Gulf of Mexico. The annual loads of atrazine and cyanazine were generally 1-2% of the amount annually applied in the Mississippi River drainage basin; the annual loads of acetochlor, alachlor, and metolachlor were generally less than 1%. Despite a reduction in atrazine use, historical data do not indicate a long-term downward trend in the atrazine load to the Gulf of Mexico. Although a relation (r2=0.62) exists between the atrazine load and stream discharge during May to August, variations in herbicide use and rainfall patterns within subbasins can have a large effect on herbicide loads in the Mississippi River Basin and probably explain a large part of the annual variation in atrazine load to the Gulf of Mexico. Copyright (C) 2000 Elsevier Science B.V.

  10. 21 CFR 177.2210 - Ethylene polymer, chloro-sulfonated.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ethylene polymer, chloro-sulfonated. 177.2210... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for Repeated Use § 177.2210 Ethylene polymer,...

  11. 21 CFR 177.2210 - Ethylene polymer, chloro-sulfonated.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ethylene polymer, chloro-sulfonated. 177.2210... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for Repeated Use § 177.2210 Ethylene polymer,...

  12. Identification of sulfonic acids as efficient ecto-5'-nucleotidase inhibitors.

    PubMed

    Iqbal, Jamshed; Saeed, Aamer; Raza, Rabia; Matin, Abdul; Hameed, Abdul; Furtmann, Norbert; Lecka, Joanna; Sévigny, Jean; Bajorath, Jürgen

    2013-01-01

    Ecto-5'-nucleotidase (CD73) is well known for its implication in cancer. Inhibition of ecto-5'-nucleotidases is thought to provide an attractive approach to cancer therapy. This study identifies sulfonic acid compounds as efficient inhibitors of ecto-5'-nucleotidases. The compounds were tested against recombinant human and rat ecto-5'-nucleotidases. The most potent new sulfonic acid inhibitor 6-amino-4-hydroxynaphthalene-2-sulfonic acid (1) of ecto-5'-nucleotidase had an IC₅₀ of 1.32 ± 0.09 μM for the human and 10.4 ± 3.3 μM for the rat enzyme. Generally, all compounds were more active against the human enzyme. Plausible binding mode models were developed for this new class of inhibitors. Furthermore, several sulfonic acid inhibitors were efficient cytotoxic agents when tested on H157 cancer cell lines. Hence, new ecto-5'-nucleotidases inhibitors displayed significant potential for further development as compounds for anti-cancer therapy.

  13. Complexes of poly-N-vinylpyrrolidone with sulfonated tetraphenylporphins

    SciTech Connect

    Kulvelis, Yu. V. Lebedev, V. T.; Toeroek, Gy.; Klyubin, V. V.

    2007-05-15

    The interaction of sulfonated tetraphenylporphins H{sub 2}TPPS{sub 4}(HCl){sub 2} and in CuTPPS{sub 4} with poly-N-vinylpyrrolidone (PVP) is studied using small-angle neutron scattering, dynamic light scattering, visible spectrophotometry, and viscometry. It is shown that porphyrin molecules form complexes with PVP, thus charging the polymeric chain.

  14. Toxicokinetics of perfluorooctane sulfonate in rainbow trout (Oncorhynchus mykiss)

    EPA Science Inventory

    Rainbow trout (Oncorhynchus mykiss) confined to respirometer-metabolism chambers were dosed with perfluorooctane sulfonate (PFOS) by intra-arterial injection and sampled to obtain concentration time-course data for plasma, and either urine or expired water. The data were then an...

  15. EVALUATION OF PERFLUOROOCTANE SULFONATE IN THE RAT BRAIN

    EPA Science Inventory

    Perfluorooctane Sulfonate (PFOS) is an environmentally persistent chemical that has been detected in humans and wildlife. PFOS is primarily distributed in liver and blood. The current study evaluated the level of PFOS in the adult and neonatal rat brain and determined whether t...

  16. Use of amine neutralized sulfonated polystyrenes for particle flocculation

    SciTech Connect

    Mintz, D.J.; Peiffer, D.G.; Thaler, W.A.; Duvdevani, I.

    1987-10-20

    A process is described for flocculating solid fines selected from the group consisting of coke films, catalyst fines, synthetic fuel fines, coal fines, and shale fines from a solution comprising the solid fines and an organic liquid which comprises the steps of: (a) adding with mixing about 5 to about 10,000 ppm of the water insoluble unneutralized or neutralized sulfonated polystyrene to the solution wherein the sulfonated polystyrene is dissolved in a dissolving organic liquid at a concentration level of about 0.01 to about 20 weight percent, and has about 0.5 to about 100 mole percent of sulfonate groups; and (b) heating at about 25/sup 0/C to about 350/sup 0/C for about 1 to about 45 minutes the mixture of the solution and the unneutralized or neutralized polystyrene wherein the sulfonated polystrene is absorbed on the surface of the solid fines, and the solid fines collide to form agglomerates which precipitate out of the solution.

  17. PERFLUOROOCTANE SULFONATE (PFOS) DISRUPTS THE THYROID STATUS IN LABORATORY RODENTS

    EPA Science Inventory

    PERFLUOROOCTANE SULFONATE (PFOS) DISRUPTS THE THYROID STATUS IN LABORATORY RODENTS. C. Lau, J.R. Thibodeaux, R.G. Hanson, B.E. Gray and J.M. Rogers. Reprod. Tox. Div. NHEERL, US EPA, Research Triangle Park, NC.

    PFOS is an environmental contaminant ubiquitously found in h...

  18. Epoxy-crosslinked sulfonated poly (phenylene) copolymer proton exchange membranes

    DOEpatents

    Hibbs, Michael; Fujimoto, Cy H.; Norman, Kirsten; Hickner, Michael A.

    2010-10-19

    An epoxy-crosslinked sulfonated poly(phenylene) copolymer composition used as proton exchange membranes, methods of making the same, and their use as proton exchange membranes (PEM) in hydrogen fuel cells, direct methanol fuel cell, in electrode casting solutions and electrodes, and in sulfur dioxide electrolyzers. These improved membranes are tougher, have higher temperature capability, and lower SO.sub.2 crossover rates.

  19. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Polyphenylene sulfone resins. 177.2500 Section 177.2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only...

  20. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Polyphenylene sulfone resins. 177.2500 Section 177.2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only...

  1. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Polyphenylene sulfone resins. 177.2500 Section 177.2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for...

  2. Absorption and distribution of perfluorooctane sulfonate (PFOS) in beef cattle

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Perfluorooctane sulfonate (PFOS) is an industrial chemical that is found in biosolids, and the application of these biosolids to pastures has raised concerns about human exposure through the accumulation of PFOS in edible tissues of these animals. The United States Department of Agriculture (USDA) h...

  3. Hydrogen-bonding patterns in pyrimethaminium pyridine-3-sulfonate

    PubMed Central

    Nirmalram, Jeyaraman Selvaraj; Thomas Muthiah, Packianathan

    2010-01-01

    In the asymmetric unit of the title salt [systematic name: 2,4-diamino-5-(4-chloro­phen­yl)-6-ethyl­pyrimidin-1-ium pyri­dine-3-sulfonate], C12H14N4Cl+·C5H4NSO3 −, there are two independent pyrimethaminium cations and two 3-pyridine sulfonate anions. Each sulfonate group inter­acts with the corresponding protonated pyrimidine ring through two N—H⋯O hydrogen bonds, forming a cyclic hydrogen-bonded bimolecular R 2 2(8) motif. Even though the primary mode of association is the same, the next higher level of supra­molecular architectures are different due to different hydrogen-bonded networks. In one of the independent molecules in the asymmetric unit, the pyrimethamine cation is paired centrosymmetrically through N—H⋯N hydrogen bonds, generating an R 2 2(8) ring motif. In the other molecule, the pyrimethamine cation does not form any base pairs; instead it forms hydrogen bonds with the 3-pyridine sulfonate anion. The structure is further stabilized by C—H⋯O, C—H⋯N and π–π stacking [centroid–centroid distance = 3.9465 (13) Å] inter­actions. PMID:21588411

  4. 21 CFR 177.2210 - Ethylene polymer, chloro-sulfonated.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethylene polymer, chloro-sulfonated. 177.2210... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for Repeated Use § 177.2210 Ethylene polymer,...

  5. 21 CFR 177.2210 - Ethylene polymer, chloro-sulfonated.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ethylene polymer, chloro-sulfonated. 177.2210... (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use Only as Components of Articles Intended for Repeated Use § 177.2210 Ethylene polymer,...

  6. Pyrolysis Pathways of Sulfonated Polyethylene, an Alternative Carbon Fiber Precursor

    SciTech Connect

    Younker, Jarod M; Saito, Tomonori; Hunt, Marcus A; Beste, Ariana; Naskar, Amit K

    2013-01-01

    Sulfonated polyethylene is an emerging precursor for the production of carbon fibers. Pyrolysis of sulfonated polyethylene was characterized by thermogravimetric analysis (TGA). n-heptane-4-sulfonic acid (H4S) was selected as a model compound for the study of sulfonated polyethylene. Density functional theory and conventional transition state theory were used to determine the rate constants of pyrolysis for H4S from 300-1000 K. Multiple reaction channels from two different mechanisms were explored: 1) internal five-centered elimination (Ei 5) and 2) radical chain reaction. The pyrolysis of H4S was simulated with kinetic Monte Carlo (kMC) to obtain TGA plots that compared favorably to experiment. We observed that at tem- peratures < 550 K, the radical mechanism was dominant and yielded the trans-alkene, whereas cis-alkene was formed at higher temperatures from the internal elimination. The maximum rates of % mass loss became independent of initial OH radical concentration at 440-480 K. Experimentally, the maximum % mass loss occurred from 440-460 K (heating rate dependent). Activation energies derived from the kMC-simulated TGAs of H4S (26-29 kcal/mol) agreed with experiment for sulfonated polyethylene ( 31 kcal/mol). The simulations revealed that in this region, decomposition of radical HOSO2 became competitive to H abstraction by HOSO2, making OH the carrying radical for the reaction chain. The maximum rate of % mass loss for internal elimination was observed at temperatures > 600 K. Low-scale carbonization utilizes temperatures < 620 K; thus, internal elimination will not be competitive. Ei5 elimination has been studied for sulfoxides and sulfones, but this represents the first study of internal elimination in sulfonic acids. Nonlinear Arrhenius plots were found for all bimolecular reactions. The most significant nonlinear behavior was observed for reactions where the barrier was small. For reactions with low activation barriers, nonlinearity was traced to

  7. Detection of CO and Ethane in Comet 21P/Giacobini-Zinner: Evidence for Variable Chemistry in the Outer Solar Nebula.

    PubMed

    Mumma; DiSanti; Dello Russo N; Magee-Sauer; Rettig

    2000-03-10

    Ethane and carbon monoxide were detected in a short-period comet of probable Kuiper Belt origin. Ethane is substantially less abundant compared with Hyakutake and Hale-Bopp, two comets from the giant-planet region of the solar nebula, suggesting a heliocentric gradient in ethane in precometary ices. It is argued that processing by X-rays from the young Sun may be responsible.

  8. Detection of CO and Ethane in Comet 21P/Giacobini-Zinner: Evidence for Variable Chemistry in the Outer Solar Nebula

    NASA Technical Reports Server (NTRS)

    Mumma, M. J.; DiSanti, M. A.; DelloRusso, N.; Magee-Sauer, K.; Rettig, T. W.

    1999-01-01

    Ethane and carbon monoxide were detected in a short-period comet of probable Kuiper belt origin. Ethane is substantially less abundant compared with Hyakutake and Hale-Bopp, two comets from the giant-planets region of the solar nebula, suggesting a heliocentric gradient in ethane in pre-cometary ices. It is argued that processing by X-rays from the young sun may be responsible.

  9. Process for recovering 4,4 prime dihydroxydiphenyl sulfone from an isomer mixture

    SciTech Connect

    Zemlanicky, F.; Cooker, B.

    1991-03-19

    This patent describes a process for the recovery of 4,4{prime}-bisphenol sulfone from an isomer mixture comprising 4,4{prime}-bisphenol sulfone and 2,4{prime}-bisphenol sulfone. It comprises dissolving the isomer mixture in a basic aqueous solution comprising about one mole of base per mole of the mixture of 4,4{prime}-bisphenol sulfone and 2,4{prime}-bisphenol sulfone to form a basic isomer solution and adding acid to the isomer solution in an amount of from about 0.85 to 0.95 mole per mole of the 4,4{prime}-bisphenol sulfone wherein the acid is added in an amount sufficient to cause selective precipitation of crystals of 4,4{prime}-bisphenol sulfone yet in an amount less than sufficient to neutralize the isomer solution and removing the crystals of 4,4{prime}-bisphenol from the aqueous solution.

  10. Reversal of global atmospheric ethane and propane trends largely due to US oil and natural gas production

    NASA Astrophysics Data System (ADS)

    Helmig, Detlev; Rossabi, Samuel; Hueber, Jacques; Tans, Pieter; Montzka, Stephen A.; Masarie, Ken; Thoning, Kirk; Plass-Duelmer, Christian; Claude, Anja; Carpenter, Lucy J.; Lewis, Alastair C.; Punjabi, Shalini; Reimann, Stefan; Vollmer, Martin K.; Steinbrecher, Rainer; Hannigan, James W.; Emmons, Louisa K.; Mahieu, Emmanuel; Franco, Bruno; Smale, Dan; Pozzer, Andrea

    2016-07-01

    Non-methane hydrocarbons such as ethane are important precursors to tropospheric ozone and aerosols. Using data from a global surface network and atmospheric column observations we show that the steady decline in the ethane mole fraction that began in the 1970s halted between 2005 and 2010 in most of the Northern Hemisphere and has since reversed. We calculate a yearly increase in ethane emissions in the Northern Hemisphere of 0.42 (+/-0.19) Tg yr-1 between mid-2009 and mid-2014. The largest increases in ethane and the shorter-lived propane are seen over the central and eastern USA, with a spatial distribution that suggests North American oil and natural gas development as the primary source of increasing emissions. By including other co-emitted oil and natural gas non-methane hydrocarbons, we estimate a Northern Hemisphere total non-methane hydrocarbon yearly emission increase of 1.2 (+/-0.8) Tg yr-1. Atmospheric chemical transport modelling suggests that these emissions could augment summertime mean surface ozone by several nanomoles per mole near oil and natural gas production regions. Methane/ethane oil and natural gas emission ratios could suggest a significant increase in associated methane emissions; however, this increase is inconsistent with observed leak rates in production regions and changes in methane's global isotopic ratio.

  11. Isolation and Characterization of Ethane, Propane, and Butane Consuming Bacteria from Marine Hydrocarbon Seeps

    NASA Astrophysics Data System (ADS)

    Redmond, M. C.; Valentine, D. L.

    2005-12-01

    Three strains of ethane, propane, or butane consuming bacteria were isolated from marine hydrocarbon seep sediments at Coal Oil Point, off shore Santa Barbara, CA. These three isolates (MR1, MR2 and MR3) were capable of growth at natural environmental temperatures and salinity. Isolate MR2 was capable of growth on ethane or propane as the sole carbon source, isolate MR4 on propane or butane, and isolate MR3 on ethane, propane, or butane. All three isolates were also able to grow on other carbon-containing molecules, including ethanol, 1-propanol, 2-propanol, acetate, butyrate, sucrose, and dextrose, and isolates MR3 and MR4 were able to grow on 1-butanol and 2-butanol. None showed significant growth with methane, methanol, or formate as the sole carbon source. 16S rDNA sequencing indicated that isolate MR2 was most closely related to the gamma-Proteobacterium Pseudomonas stutzeri, while isolates MR3 and MR4 were both Gram-positive and most similar to Rhodococcus wratislaviensis and Rhodococcus opacus, respectively. Compared to methanotrophs, relatively little is known about the organisms that consume the C2-C4 alkanes, but both our isolates and the previously described species appear to be capable of metabolizing a wide variety of carbon compounds, including several common pollutants. The growth of these hydrocarbon-oxidizing bacteria on other organic compounds raises the possibility that the abundance and distribution of organic matter might be expected to impact the oxidation of C2-C4 hydrocarbons. Additional studies will further characterize the range of metabolism, and will investigate the importance of these organisms in natural hydrocarbon seep environments.

  12. Occurrence of decabromodiphenyl ethane in captive Chinese alligators (Alligator sinensis) from China.

    PubMed

    Hong, Bing; Wu, Ting; Zhao, Guangchao; Sun, Yuxin; Wang, Xinming; Zhao, Juan; Yi, Zhigang; Wu, Xiaobing; Mai, Bixian

    2015-01-01

    Decabromodiphenyl ethane (DBDPE), a replacement for decabromodiphenyl ether (deca-BDE), was investigated in captive Chinese alligators from China. DBDPE was detected in adult tissues, neonates and eggs of Chinese alligators with concentrations ranging from 4.74-192, 0.24-1.94, and 0.01-0.51 ng g(-1) lipid weight, respectively. Compared to PBDEs and PCBs, DBDPE contamination was limited in Chinese alligators. Additionally, DBDPE concentrations in adult muscles were one to three orders of magnitude higher than those in neonates and eggs, suggesting the limited maternal transfer potential of DBDPE in Chinese alligators. This is the first study to report the occurrence of DBDPE in Chinese alligators.

  13. Decomposition of chlorinated ethylenes and ethanes in an electron beam generated plasma reactor

    SciTech Connect

    Vitale, S.A.

    1996-02-01

    An electron beam generated plasma reactor (EBGPR) is used to determine the plasma chemistry kinetics, energetics and decomposition pathways of six chlorinated ethylenes and ethanes: 1,1,1-trichloroethane, 1,1-dichloroethane, ethyl chloride, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride. A traditional chemical kinetic and chemical engineering analysis of the data from the EBGPR is performed, and the following hypothesis was verified: The specific energy required for chlorinated VOC decomposition in the electron beam generated plasma reactor is determined by the electron attachment coefficient of the VOC and the susceptibility of the molecule to radical attack. The technology was demonstrated at the Hanford Reservation to remove VOCs from soils.

  14. Energy of the excess electron in methane and ethane near the critical point

    NASA Astrophysics Data System (ADS)

    Shi, Xianbo; Li, Luxi; Findley, G. L.; Evans, C. M.

    2009-10-01

    Field ionization measurements of trimethylamine in methane and triethylamine in ethane are presented as a function of perturber number density at various noncritical temperatures and near the perturber critical isotherm. Critical point effects are observed that are similar to those seen in atomic fluids. A two-Yukawa potential is shown to model the perturber/perturber interactions accurately by calculating the phase diagram of the perturber fluids, and using this potential the local Wigner-Seitz model for the energy of the excess electron is successfully applied to these molecular systems.

  15. Formation of gas hydrate during crystallization of ethane-saturated amorphous ice

    NASA Astrophysics Data System (ADS)

    Faizullin, M. Z.; Vinogradov, A. V.; Skokov, V. N.; Koverda, V. P.

    2014-10-01

    Layers of ethane-saturated amorphous ice were prepared by depositing molecular beams of water and gas on a substrate cooled with liquid nitrogen. The heating of the layers was accompanied by vitrification (softening) followed by spontaneous crystallization. Crystallization of condensates under the conditions of deep metastability proceeded with gas hydrate formation. The vitrification and crystallization temperatures of the condensates were determined from the changes in their dielectric properties on heating. The thermal effects of transformations were recorded by differential thermal analysis. The crystallization of the amorphous water layers was studied by electron diffraction. Formation of a metastable packing with elements of a cubic diamond-like structure was noted.

  16. Isotopic Measurements of Organic Sulfonates From The Murchison Meteorite

    NASA Technical Reports Server (NTRS)

    Cooper, G. W.; Chang, S.; DeVincenzi, Donald L. (Technical Monitor)

    1995-01-01

    Organic sulfonates and phosphonates have been extracted from the Murchison meteorite for stable isotope measurements. Preliminary stable isotope measurements of individual alkyl sulfonates, R-SO3H (R=C(sub n)H(sub 2n+l)), are shown. These compounds were found in aqueous extracts of Murchison. Both groups show trends similar to other homologous series of organic compounds indigenous to Murchison. Molecular abundances decrease with increasing carbon number, and all possible isomers at each carbon number (through C-4) are present. Carbon isotope measurements of the sulfonates show a decrease in the C-13/C-12 ratio with increasing carbon number. The overall objectives of this project are to obtain dime element carbon, hydrogen, and sulfur - intramolecular isotopic analyses of individual sulfonates, and isotopic measurement of carbon and hydrogen of the phosphonates as a group. The Murchison meteorite is the best characterized carbonaceous chondrite with respect to organic chemistry. The finding of organic sulfonates and phosphonates in Murchison is of interest because they are the first well-characterized series of sulfur and phosphorus containing organic compounds found in meteorites. Also, meteorites, comets, and interplanetary dust particles may have been involved in chemical evolution on the early Earth. Because of the critical role of organic phosphorus and sulfur in all living systems, it is particularly interesting to see examples of abiotic syntheses of these classes of compounds. The study of the isotopic composition of the sulfonates and phosphonates can yield insight into their possible interstellar origin as well as their mechanisms of synthesis in the early solar system. Previous isotopic analyses of other classes of organic compounds indigenous to meteorites, e.g., amino acids, carboxylic acids, and hydrocarbons indicate the possibility that interstellar molecules were incorporated into meteorite parent bodies. In these compounds the ratios of heavy to

  17. High-pressure solubilities of hydrogen and methane in toluene in the presence of ethane and eicosane

    SciTech Connect

    Peramanu, S.; Pruden, B.B.; Clarke, P.F.

    1998-09-01

    The effect of ethane on solubilities of hydrogen and methane in toluene was identified by measuring the solubility of a ternary gas containing hydrogen, methane, and ethane and comparing with the solubility of a binary gas containing hydrogen and methane only. The ternary gas solubilities were measured at pressures up to 13.88 MPa and at a temperature of 295 K. A significant increase in the methane solubility was observed in the presence of ethane, whereas the hydrogen solubilities were little affected. The solubilities of the binary gas at pressures up to 17.33 MPa and the ternary gas at pressures up to 12.16 MPa were measured in a toluene solution containing 20 mass % eicosane. The addition of eicosane to toluene increased the gas solubilities over those of toluene alone.

  18. Preparation of allenic sulfones and allenes from the selenosulfonation of acetylenes

    SciTech Connect

    Back, T.G.; Krishna, M.V.; Muralidharan, K.R. )

    1989-08-18

    {beta}-(phenylseleno)vinyl sulfones 2 are readily obtained from the free-radical selenosulfonation of acetylenes. Compounds 2 isomerize to allyl sulfones 4 under base-catalyzed conditions in nearly quantitative yield, with high stereoselectivity favoring the Z configuration. Allyl sulfones 4 afford generally high yields of allenic sulfones 1 when subjected to oxidation with m-chloroperbenzoic acid or tert-butyl hydroperoxide, followed by selenoxide syn-elimination. The sulfone-stabilized anion intermediates in the isomerizations of 2 to 4 can be alkylated, deuterated, or silylated in the {alpha}-position prior to oxidation, providing allenic sulfones with an additional {alpha}-substituent. In some cases, spontaneous elimination of the phenylseleno group occurred, producing the allenic sulfone without the need for an oxidation step. Desulfonylation of allyl sulfones 4f, 4c, and 25 with sodium amalgam afforded vinyl selenides that were converted to allenes in moderate to good yields by oxidation-elimination. The copper-catalyzed coupling of allyl sulfones 4 with Grignard reagents comprises an alternative route to vinyl selenide precursors of allenes. These procedures permit the synthesis of various {alpha}- and {gamma}-substituted allenic sulfones and allenes from acetylenes.

  19. Regioselective synthesis of chiral dimethyl-bis(ethylenedithio)tetrathiafulvalene sulfones

    PubMed Central

    Pop, Flavia

    2015-01-01

    Summary Enantiopure (R,R) and (S,S)-dimethyl-bis(ethylenedithio)tetrathiafulvalene monosulfones have been synthesized by the aerial oxidation of the chiral dithiolates generated from the propionitrile-protected precursors. Both enantiomers crystallize in the orthorhombic chiral space group P212121. They show a boat-type conformation of the TTF moiety, a rather rigid dithiin sulfone ring and the methyl groups in a bisequatorial conformation. Cyclic voltammetry measurements indicate fully reversible oxidation in radical cation and dication species. PMID:26199666

  20. The phase behavior of simple salt-tolerant sulfonates

    SciTech Connect

    Barakat, Y.; Fortney, L.N.; LaLanne-Cassou, C.; Schecter, R.S.; Wade, W.H.; Weerasooriya, U.; Yiv, S.

    1983-12-01

    Alkane and ..cap alpha..-olefin sulfonates can be used to produce optimal microemulsion formulations having very high salinity tolerance (including divalent ion) while maintaining large solubilization parameters and low interfacial tensions (IFT's). Such molecules require elevated temperatures or higher alcohol concentrations to suppress liquid crystal formation. As in other species, solubilization is inversely related to width of the threephase regime, and IFT and solubilization are strongly coupled.

  1. Ultrasound assisted regioselective sulfonation of aromatic compounds with sulfuric acid.

    PubMed

    Qureshi, Ziyauddin S; Deshmukh, Krishna M; Jagtap, Sachin R; Nandurkar, Nitin S; Bhanage, Bhalchandra M

    2009-03-01

    A simple and convenient methodology for selective sulfonation of aromatic compounds using sulfuric acid under sonication is described. The present methodology shows a considerable enhancement in the reaction rate along with improved selectivity compared with the reactions performed under silent conditions. The effect of various parameters such as agitation speed, sulfuric acid concentration, and temperature on reaction system have been investigated and are explained on the basis of ultrasonically generated cavitational effects. PMID:19014895

  2. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...)]bis-, bis(4-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy] ethoxy]methyl]-2-(2-propenyloxy...-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy] ethoxy]methyl]-2-(2-propenyloxy)ethoxy]-, 4...-methylbenzene-sulfonate) (PMN P-93-1195, CAS no. 19249-03-7), ethanol, 2,2′- bis-, bis(4-methylbenzene...

  3. 40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...)]bis-, bis(4-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy] ethoxy]methyl]-2-(2-propenyloxy...-methylbenzene sulfonate); and ethanol, 2- oxy]ethoxy] ethoxy]methyl]-2-(2-propenyloxy)ethoxy]-, 4...-methylbenzene-sulfonate) (PMN P-93-1195, CAS no. 19249-03-7), ethanol, 2,2′- bis-, bis(4-methylbenzene...

  4. A Simple Molecular Orbital Treatment of the Barrier to Internal Rotation in the Ethane Molecule

    NASA Astrophysics Data System (ADS)

    Smith, Derek W.

    1998-07-01

    The origin of the barrier to internal rotation in the ethane molecule is explored in terms of elementary molecular orbital (MO) considerations. Emphasis is placed on the antibonding effect, i.e. the result that an antibonding MO is more destabilized than its bonding counterpart is stabilized, relative to the parent atomic orbitals (AOs). It is shown that, in the case of two equivalent AOs, this effect is approximately proportional to the square of the overlap integral. By constructing the ethane Mos from those of two methyl fragments, it is shown that the most important orbital energy changes consequent upon rotation about the C-C bond can be expressed in terms of the antibonding effect arising from the filled twofold-degenerate p-bonding and -antibonding MOs. This can be reduced to the dependence on the rotation angle of the vicinal H-H overlap integrals, which are calculated explicitly, showing that the antibonding effect is minimised in the staggered conformation. A letter from Lawrence J. Sacks in our April 2000 issue addresses the above.

  5. The band system of ethane around 7 micron: Frequency analysis of the ν6 band

    NASA Astrophysics Data System (ADS)

    Moazzen-Ahmadi, N.; Oliaee, J. Norooz

    2016-09-01

    High quality line parameters of the band systems of ethane are required for accurate characterization of spectral features observed in the atmospheres of Jovian planets and their satellites. To date, experimental characterization of the excited vibrational states lying below 1300 cm-1 has been made. This includes the torsional bands around 35 μm, ν9 (820 cm-1), ν3 (990 cm-1), ν12-ν9 (380 cm-1) and ν9+ν4-ν4 (830 cm-1) bands. These earlier high resolution ro-vibrational analyses were made to experimental accuracy. Here, we report a detailed analysis of the weak ν6 band in the 1340-1410 cm-1 region using a spectrum recorded at a resolution of 0.003 cm-1 and temperature of 200 K. The Hamiltonian model included couplings between ν6 and ν9 (in particular with ν9+2ν4 with which it is resonantly coupled) as well as couplings between ν6 and ν8. An excellent fit to within experimental accuracy was obtained. Taking the results of this 5-state fit, together with earlier results on lower lying vibrations, we now have experimental characterization for torsion-vibration states of ethane lying below 1400 cm-1.

  6. Natural gas fugitive emissions rates constrained by global atmospheric methane and ethane.

    PubMed

    Schwietzke, Stefan; Griffin, W Michael; Matthews, H Scott; Bruhwiler, Lori M P

    2014-07-15

    The amount of methane emissions released by the natural gas (NG) industry is a critical and uncertain value for various industry and policy decisions, such as for determining the climate implications of using NG over coal. Previous studies have estimated fugitive emissions rates (FER)--the fraction of produced NG (mainly methane and ethane) escaped to the atmosphere--between 1 and 9%. Most of these studies rely on few and outdated measurements, and some may represent only temporal/regional NG industry snapshots. This study estimates NG industry representative FER using global atmospheric methane and ethane measurements over three decades, and literature ranges of (i) tracer gas atmospheric lifetimes, (ii) non-NG source estimates, and (iii) fossil fuel fugitive gas hydrocarbon compositions. The modeling suggests an upper bound global average FER of 5% during 2006-2011, and a most likely FER of 2-4% since 2000, trending downward. These results do not account for highly uncertain natural hydrocarbon seepage, which could lower the FER. Further emissions reductions by the NG industry may be needed to ensure climate benefits over coal during the next few decades.

  7. Boiling points of halogenated ethanes: an explanatory model implicating weak intermolecular hydrogen-halogen bonding.

    PubMed

    Beauchamp, Guy

    2008-10-23

    This study explores via structural clues the influence of weak intermolecular hydrogen-halogen bonds on the boiling point of halogenated ethanes. The plot of boiling points of 86 halogenated ethanes versus the molar refraction (linked to polarizability) reveals a series of straight lines, each corresponding to one of nine possible arrangements of hydrogen and halogen atoms on the two-carbon skeleton. A multiple linear regression model of the boiling points could be designed based on molar refraction and subgroup structure as independent variables (R(2) = 0.995, standard error of boiling point 4.2 degrees C). The model is discussed in view of the fact that molar refraction can account for approximately 83.0% of the observed variation in boiling point, while 16.5% could be ascribed to weak C-X...H-C intermolecular interactions. The difference in the observed boiling point of molecules having similar molar refraction values but differing in hydrogen-halogen intermolecular bonds can reach as much as 90 degrees C.

  8. Natural gas fugitive emissions rates constrained by global atmospheric methane and ethane.

    PubMed

    Schwietzke, Stefan; Griffin, W Michael; Matthews, H Scott; Bruhwiler, Lori M P

    2014-07-15

    The amount of methane emissions released by the natural gas (NG) industry is a critical and uncertain value for various industry and policy decisions, such as for determining the climate implications of using NG over coal. Previous studies have estimated fugitive emissions rates (FER)--the fraction of produced NG (mainly methane and ethane) escaped to the atmosphere--between 1 and 9%. Most of these studies rely on few and outdated measurements, and some may represent only temporal/regional NG industry snapshots. This study estimates NG industry representative FER using global atmospheric methane and ethane measurements over three decades, and literature ranges of (i) tracer gas atmospheric lifetimes, (ii) non-NG source estimates, and (iii) fossil fuel fugitive gas hydrocarbon compositions. The modeling suggests an upper bound global average FER of 5% during 2006-2011, and a most likely FER of 2-4% since 2000, trending downward. These results do not account for highly uncertain natural hydrocarbon seepage, which could lower the FER. Further emissions reductions by the NG industry may be needed to ensure climate benefits over coal during the next few decades. PMID:24945600

  9. AIRBORNE, OPTICAL REMOTE SENSING OF METHANE AND ETHANE FOR NATURAL GAS PIPELINE LEAK DETECTION

    SciTech Connect

    Jerry Myers

    2003-11-12

    Ophir Corporation was awarded a contract by the U. S. Department of Energy, National Energy Technology Laboratory under the Project Title ''Airborne, Optical Remote Sensing of Methane and Ethane for Natural Gas Pipeline Leak Detection'' on October 14, 2002. This second six-month technical report summarizes the progress made towards defining, designing, and developing the hardware and software segments of the airborne, optical remote methane and ethane sensor. The most challenging task to date has been to identify a vendor capable of designing and developing a light source with the appropriate output wavelength and power. This report will document the work that has been done to identify design requirements, and potential vendors for the light source. Significant progress has also been made in characterizing the amount of light return available from a remote target at various distances from the light source. A great deal of time has been spent conducting laboratory and long-optical path target reflectance measurements. This is important since it helps to establish the overall optical output requirements for the sensor. It also reduces the relative uncertainty and risk associated with developing a custom light source. The data gathered from the optical path testing has been translated to the airborne transceiver design in such areas as: fiber coupling, optical detector selection, gas filters, and software analysis. Ophir will next, summarize the design progress of the transceiver hardware and software development. Finally, Ophir will discuss remaining project issues that may impact the success of the project.

  10. AIRBORNE, OPTICAL REMOTE SENSING OF METHANE AND ETHANE FOR NATURAL GAS PIPLINE LEAK DETECTION

    SciTech Connect

    Jerry Myers

    2004-05-12

    Ophir Corporation was awarded a contract by the U. S. Department of Energy, National Energy Technology Laboratory under the Project Title ''Airborne, Optical Remote Sensing of Methane and Ethane for Natural Gas Pipeline Leak Detection'' on October 14, 2002. The third six-month technical report contains a summary of the progress made towards finalizing the design and assembling the airborne, remote methane and ethane sensor. The vendor has been chosen and is on contract to develop the light source with the appropriate linewidth and spectral shape to best utilize the Ophir gas correlation software. Ophir has expanded upon the target reflectance testing begun in the previous performance period by replacing the experimental receiving optics with the proposed airborne large aperture telescope, which is theoretically capable of capturing many times more signal return. The data gathered from these tests has shown the importance of optimizing the fiber optic receiving fiber to the receiving optic and has helped Ophir to optimize the design of the gas cells and narrowband optical filters. Finally, Ophir will discuss remaining project issues that may impact the success of the project.

  11. Carbohydrate and ethane release with Erwinia carotovora subspecies betavasculorum--induced necrosis.

    PubMed

    Kuykendall, L David; Hunter, William J

    2008-02-01

    Erwinia carotovora subspecies betavasculorum, also known as E. betavasculorum and Pectobacterium betavasculorum, is a soil bacterium that has the capacity to cause root rot necrosis of sugarbeets. The qualitatively different pathogenicity exhibited by the virulent E. carotovora strain and two avirulent strains, a Citrobacter sp. and an Enterobacter cloacae, was examined using digital analysis of photographic evidence of necrosis as well as for carbohydrate, ethane, and ethylene release compared with uninoculated potato tuber slices. Visual scoring of necrosis was superior to digital analysis of photographs. The release of carbohydrates and ethane from potato tuber slices inoculated with the soft rot necrosis-causing Erwinia was significantly greater than that of potato tuber slices that had not been inoculated or that had been inoculated with the nonpathogenic E. cloacae and Citrobacter sp. strains. Interestingly, ethylene production from potato slices left uninoculated or inoculated with the nonpathogenic Citrobacter strain was 5- to 10-fold higher than with potato slices inoculated with the pathogenic Erwinia strain. These findings suggest that (1) carbohydrate release might be a useful measure of the degree of pathogenesis, or relative virulence; and that (2) bacterial suppression of ethylene formation may be a critical step in root rot disease formation.

  12. Formulation of soluble oils with synthetic and petroleum sulfonates

    SciTech Connect

    Eckard, A.; Riff, I.; Weaver, J.

    1997-06-01

    Metalworking fluids for metal removal are formulated to provide cooling, lubrication, and rust protection when cutting and machining metals. There are basically four types of cutting fluids: straight oils, synthetics, semisynthetic fluids and soluble oils. The last type is the most widely used for metal removal operations such as cutting, drilling and grinding. Soluble oils used for metalworking operations are normally the oil-in-water type, with oil as the internal phase and water as the external phase. The soluble oils can have rather complex compositions, usually containing two or more emulsifiers and coupling agents, as well as additives to provide rust inhibition, lubricity, detergency, resistance to bacterial attack and foam control. The dominant emulsifier in a soluble oil is usually sodium sulfonate which also has the secondary benefit of being a rust inhibitor. Soluble oil emulsions based on petroleum or synthetic sulfonates have been found to improve lubrication and cleaning of metal parts and equipment. As has been done previously, a series of emulsification studies were conducted using petroleum and synthetic sulfonates. Emulsifier level, coemulsifiers and minor formulation adjustments were made to optimize each system. This study was made using naphthenic oil basestock. Formulations were evaluated using criteria including concentrate stability, hard and soft water emulsion stability, emulsibility, foaming tendency and response to defoamers, antirust properties and cost effectiveness of individual formulations. The results of these evaluations are presented in the present paper.

  13. Electric current-producing device having sulfone-based electrolyte

    SciTech Connect

    Angell, Charles Austen; Sun, Xiao-Guang

    2010-11-16

    Electrolytic solvents and applications of such solvents including electric current-producing devices. For example, a solvent can include a sulfone compound of R1--SO2--R2, with R1 being an alkyl group and R2 a partially oxygenated alkyl group, to exhibit high chemical and thermal stability and high oxidation resistance. For another example, a battery can include, between an anode and a cathode, an electrolyte which includes ionic electrolyte salts and a non-aqueous electrolyte solvent which includes a non-symmetrical, non-cyclic sulfone. The sulfone has a formula of R1--SO2--R2, wherein R1 is a linear or branched alkyl or partially or fully fluorinated linear or branched alkyl group having 1 to 7 carbon atoms, and R2 is a linear or branched or partially or fully fluorinated linear or branched oxygen containing alkyl group having 1 to 7 carbon atoms. The electrolyte can include an electrolyte co-solvent and an electrolyte additive for protective layer formation.

  14. Composite plasma polymerized sulfonated polystyrene membrane for PEMFC

    SciTech Connect

    Nath, Bhabesh Kumar; Khan, Aziz; Chutia, Joyanti

    2015-10-15

    Highlights: • Methyl methane sulfonate (MMS) is used as the sulfonating agent. • The proton conductivity of the membrane is found to be 0.141 S cm{sup −1}. • Power density of fuel cell with styrene/MMS membrane is 0.5 W cm{sup −2}. • The membrane exhibits thermal stability up to 140 °C. - Abstract: This work presents the introduction of an organic compound methyl methane sulfonate (MMS) for the first time in fabrication of polystyrene based proton exchange membrane (PEM) by plasma polymerization process. The membrane is fabricated by co-polymerizing styrene and MMS in capacitively coupled continuous RF plasma. The chemical composition of the plasma polymerized polymer membrane is investigated using Fourier Transform Infrared Spectroscopy which reveals the formation of composite structure of styrene and MMS. The surface morphology studied using AFM and SEM depicts the effect of higher partial pressure of MMS on surface topography of the membrane. The proton transport property of the membrane studied using electrochemical impedance spectroscopy shows the achievement of maximum proton conductivity of 0.141 S cm{sup −1} which is comparable to Nafion 117 membrane. Fuel cell performance test of the synthesized membrane shows a maximum power density of 500 mW cm{sup −2} and current density of 0.62 A cm{sup −2} at 0.6 V.

  15. Amperometric urea biosensors based on sulfonated graphene/polyaniline nanocomposite

    PubMed Central

    Das, Gautam; Yoon, Hyon Hee

    2015-01-01

    An electrochemical biosensor based on sulfonated graphene/polyaniline nanocomposite was developed for urea analysis. Oxidative polymerization of aniline in the presence of sulfonated graphene oxide was carried out by electrochemical methods in an aqueous environment. The structural properties of the nanocomposite were characterized by Fourier-transform infrared, Raman spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy techniques. The urease enzyme-immobilized sulfonated graphene/polyaniline nanocomposite film showed impressive performance in the electroanalytical detection of urea with a detection limit of 0.050 mM and a sensitivity of 0.85 (μA · cm−2·mM−1. The biosensor achieved a broad linear range of detection (0.12–12.3 mM) with a notable response time of approximately 5 seconds. Moreover, the fabricated biosensor retained 81% of its initial activity (based on sensitivity) after 15 days of storage at 4°C. The ease of fabrication coupled with the low cost and good electrochemical performance of this system holds potential for the development of solid-state biosensors for urea detection. PMID:26346240

  16. Amperometric urea biosensors based on sulfonated graphene/polyaniline nanocomposite.

    PubMed

    Das, Gautam; Yoon, Hyon Hee

    2015-01-01

    An electrochemical biosensor based on sulfonated graphene/polyaniline nanocomposite was developed for urea analysis. Oxidative polymerization of aniline in the presence of sulfonated graphene oxide was carried out by electrochemical methods in an aqueous environment. The structural properties of the nanocomposite were characterized by Fourier-transform infrared, Raman spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy techniques. The urease enzyme-immobilized sulfonated graphene/polyaniline nanocomposite film showed impressive performance in the electroanalytical detection of urea with a detection limit of 0.050 mM and a sensitivity of 0.85 (μA · cm(-2)·mM(-1). The biosensor achieved a broad linear range of detection (0.12-12.3 mM) with a notable response time of approximately 5 seconds. Moreover, the fabricated biosensor retained 81% of its initial activity (based on sensitivity) after 15 days of storage at 4°C. The ease of fabrication coupled with the low cost and good electrochemical performance of this system holds potential for the development of solid-state biosensors for urea detection.

  17. Seasonal variations of temperature, acetylene and ethane in Saturn's atmosphere from 2005 to 2010, as observed by Cassini-CIRS

    NASA Astrophysics Data System (ADS)

    Sinclair, J. A.; Irwin, P. G. J.; Fletcher, L. N.; Moses, J. I.; Greathouse, T. K.; Friedson, A. J.; Hesman, B.; Hurley, J.; Merlet, C.

    2013-07-01

    Acetylene (C2H2) and ethane (C2H6) are by-products of complex photochemistry in the stratosphere of Saturn. Both hydrocarbons are important to the thermal balance of Saturn's stratosphere and serve as tracers of vertical motion in the lower stratosphere. Earlier studies of Saturn's hydrocarbons using Cassini-CIRS observations have provided only a snapshot of their behaviour. Following the vernal equinox in August 2009, Saturn's northern and southern hemispheres have entered spring and autumn, respectively, however the response of Saturn's hydrocarbons to this seasonal shift remains to be determined. In this paper, we investigate how the thermal structure and concentrations of acetylene and ethane have evolved with the changing season on Saturn. We retrieve the vertical temperature profiles and acetylene and ethane volume mixing ratios from Δν˜=15.5cm-1 Cassini-CIRS observations. In comparing 2005 (solar longitude, Ls ˜ 308°), 2009 (Ls ˜ 3°) and 2010 (Ls ˜ 15°) results, we observe the disappearance of Saturn's warm southern polar hood with cooling of up to 17.1 K ± 0.8 K at 1.1 mbar at high-southern latitudes. Comparison of the derived temperature trend in this region with a radiative climate model (Section 4 of Fletcher et al., 2010 and Greathouse et al. (2013, in preparation)) indicates that this cooling is radiative although dynamical changes in this region cannot be ruled out. We observe a 21 ± 12% enrichment of acetylene and a 29 ± 11% enrichment of ethane at 25°N from 2005 to 2009, suggesting downwelling at this latitude. At 15°S, both acetylene and ethane exhibit a decrease in concentration of 6 ± 11% and 17 ± 9% from 2005 to 2010, respectively, which suggests upwelling at this latitude (though a statistically significant change is only exhibited by ethane). These implied vertical motions at 15°S and 25°N are consistent with a recently-developed global circulation model of Saturn's tropopause and stratosphere(Friedson and Moses, 2012), which

  18. Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

    SciTech Connect

    Zhang, Yiming; Li, Baiyan; Wu, Zili; Ma, Shengqian

    2015-01-09

    The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

  19. Shock tube measurements of growth constants in the branched-chain ethane-carbon monoxide-oxygen system

    NASA Technical Reports Server (NTRS)

    Brokaw, R. S.; Brabbs, T. A.; Snyder, C. A.

    1985-01-01

    Exponential free radical growth constants have been measured for ethane carbon monoxide oxygen mixtures by monitoring the growth of oxygen atom concentration as manifested by CO flame band emission. Data were obtained over the temperature range of 1200 to 1700 K. The data were analyzed using an ethane oxidation mechanism involving seven elementary reaction steps. Calculated growth constants were close to experimental values at lower temperatures, up to about 1400 K, but at higher temperatures computed growth constants were considerably smaller than experiment. In attempts to explain these results additional branching reactions were added to the mechanism. However, these additional reactions did not appreciably change calculated growth constants.

  20. Modeling the accumulation of three waterborne chlorinated ethanes in fathead minnows (Pimephales promelas): A physiologically based approach

    SciTech Connect

    Lien, G.J.; Nichols, J.W.; McKim, J.M. . Environmental Research Lab.); Gallinat, C.A. )

    1994-07-01

    A physiologically based kinetic model was used to predict the accumulation of a homologous series of chlorinated ethanes in fathead minnows (Pimephales promelas). Uptake and accumulation of these compounds are described in terms of a few fundamental physiological, morphological, and physicochemical parameters. Chemical residues in 30-d-old fathead minnows exposed to 1,1,2,2-tetrachloroethane, pentachloroethane, and hexachloroethane were used to evaluate model performance. The predicted and observed accumulations of the chlorinated ethanes were in close agreement. A quantitative assessment of the major factors regulating the exchanged of these compounds indicates that the cutaneous surface may be an important route of uptake in small fish.

  1. Modeling the accumulation of three waterborne chlorinated ethanes in fathead minnows ( pimephales promelas'): A physiologically based approach

    SciTech Connect

    Lien, G.J.; Nichols, J.W.; McKim, J.M.; Gallinat, C.A.

    1994-01-01

    A physiologically based kinetic model was used to predict the accumulation of a homologous series of chlorinated ethanes in fathead minnows (Pimephales promelas). Uptake and accumulation of these compounds are described in terms of a few fundamental physiological, morphological, and physicochemical parameters. Chemical residues in 30-d-old fathead minnows exposed to 1,1,2,2-tetrachloroethane, pentachloroethane, and hexachloroethane were used to evaluate model performance. The predicted and observed accumulations of the chlorinated ethanes were in close agreement. A quantitative assessment of the major factors regulating the exchange of these compounds indicates that the cutaneous surface may be an important route of uptake in small fish.

  2. Effect of additives on the performance and morphology of sulfonated copoly (phthalazinone biphenyl ether sulfone) composite nanofiltration membranes☆

    NASA Astrophysics Data System (ADS)

    Guan, Shanshan; Zhang, Shouhai; Liu, Peng; Zhang, Guozhen; Jian, Xigao

    2014-03-01

    Sulfonated copoly (phthalazinone biphenyl ether sulfone) (SPPBES) composite nanofiltration membranes were fabricated by adding low molecular weight additives into SPPBES coating solutions during a dip coating process. Three selected additives: glycol, glycerol and hydroquinone were used in this work. The effect of additives on the membrane performance was studied and discussed in terms of rejection and permeation flux. Among all the composite membranes, the membrane prepared with glycol as an additive achieved the highest Na2SO4 rejection, and the membrane fabricated with glycerol as an additive exhibited the highest flux. The salts rejection of SPPBES composite membranes increased in the following order MgCl2 < NaCl ≤ MgSO4 < Na2SO4. The morphologies of the SPPBES composite membranes were characterized by SEM, it was found that the membrane prepared with hydroquinone showed a rough membrane surface. Composite membrane fabricated with glycol or glycerol as the additive showed very good chemical stability.

  3. Proton Conduction in Sulfonated Organic-Inorganic Hybrid Monoliths with Hierarchical Pore Structure.

    PubMed

    von der Lehr, Martin; Seidler, Christopher F; Taffa, Dereje H; Wark, Michael; Smarsly, Bernd M; Marschall, Roland

    2016-09-28

    Porous organic-inorganic hybrid monoliths with hierarchical porosity exhibiting macro- and mesopores are prepared via sol-gel process under variation of the mesopore size. Organic moieties in the pore walls are incorporated by substituting up to 10% of the silicon precursor tetramethylorthosilicate with bisilylated benzene molecules. After functionalization with sulfonic acid groups, the resulting sulfonated hybrid monoliths featuring a bimodal pore structure are investigated regarding proton conduction depending on temperature and relative humidity. The hierarchical pore system and controlled mesopore design turn out to be crucial for sulfonation and proton conduction. These sulfonated hybrid hierarchical monoliths containing only 10% organic precursor exhibit higher proton conduction at different relative humidities than sulfonated periodic mesoporous organosilica made of 100% bisilylated precursors exhibiting solely mesopores, even with a lower concentration of sulfonic acid groups. PMID:27598017

  4. Proton Conduction in Sulfonated Organic-Inorganic Hybrid Monoliths with Hierarchical Pore Structure.

    PubMed

    von der Lehr, Martin; Seidler, Christopher F; Taffa, Dereje H; Wark, Michael; Smarsly, Bernd M; Marschall, Roland

    2016-09-28

    Porous organic-inorganic hybrid monoliths with hierarchical porosity exhibiting macro- and mesopores are prepared via sol-gel process under variation of the mesopore size. Organic moieties in the pore walls are incorporated by substituting up to 10% of the silicon precursor tetramethylorthosilicate with bisilylated benzene molecules. After functionalization with sulfonic acid groups, the resulting sulfonated hybrid monoliths featuring a bimodal pore structure are investigated regarding proton conduction depending on temperature and relative humidity. The hierarchical pore system and controlled mesopore design turn out to be crucial for sulfonation and proton conduction. These sulfonated hybrid hierarchical monoliths containing only 10% organic precursor exhibit higher proton conduction at different relative humidities than sulfonated periodic mesoporous organosilica made of 100% bisilylated precursors exhibiting solely mesopores, even with a lower concentration of sulfonic acid groups.

  5. Poly(ether sulfone) as a negative resist for electron beam lithography

    NASA Astrophysics Data System (ADS)

    Bryce, R. M.; Freeman, M. R.; Aktary, M.

    2007-05-01

    The sulfone containing polymer poly(butene sulfone) has long been used as positive electron beam resist due to the high scission rate of sulfone under electron irradiation. The authors demonstrate that poly(ether sulfone) acts as a high resolution negative electron beam resist which displays good chemical and dry-etch resistance. The electron beam exposure sensitivity at 10kV was found to be approximately 230μC/cm2 for poly(ether sulfone), roughly 2.3 times that of poly(methyl methacrylate). As poly(ether sulfone) is a robust engineering polymer that can withstand etching this polymer is a suitable mask material and has properties of interest for direct incorporation in devices.

  6. Quality of water in alluvial aquifers in eastern Iowa

    USGS Publications Warehouse

    Savoca, Mark E.; Sadorf, Eric M.; Linhart, S. Michael; Barnes, Kimberlee K.

    2001-01-01

    Pesticides were detected in 84 percent of samples from agricultural areas and 70 percent from urban areas. Atrazine and metolachlor were the most frequently detected pesticides in samples from agricultural areas; atrazine and prometon were the most frequently detected pesticides in samples from urban areas. None of the pesticide concentrations exceeded U.S. Environmental Protection Agency maximum contaminant levels or lifetime health advisories for drinking water. Pesticide degradates were detected in 94 percent of samples from agricultural areas and 53 percent from urban areas. Metolachlor ethane sulfonic acid and deethylatrazine were the most frequently detected metabolites in samples from agricultural areas; metolachlor ethane sulfonic acid and alachlor ethane sulfonic acid were the most frequently detected degradates in samples from urban areas. Total degradate concentrations were significantly higher in samples from agricultural areas than in samples from urban areas. Total pesticide concentrations (parent compounds) tended to be higher in samples from agricultural areas; however, this difference was not statistically significant. Degradates constituted the major portion of the total residue concentration

  7. Sulfonates: A novel class of organic sulfur compounds in marine sediments

    NASA Astrophysics Data System (ADS)

    Vairavamurthy, Appathurai; Zhou, Weiqing; Eglinton, Timothy; Manowitz, Bernard

    1994-11-01

    X-ray absorption near-edge structure spectroscopy (XANES) used to measure sulfur speciation in a variety of organic-rich marine sediments has established sulfonates as a novel and major component of sedimentary organic sulfur. The origins of sulfonates in sediments are not clear, although both biological and geochemical mechanisms are possible. The accumulation of oxidized sulfonate sulfur in reducing marine sediments was not known previously; hence, a new perspective in sulfur geochemistry is established. The biogeochemical implications of the presence of sulfonates in marine sediments are discussed.

  8. Activation and Transformation of Ethane by Au2 VO3(+) Clusters with Closed-Shell Electronic Structures.

    PubMed

    Li, Ya-Ke; Li, Zi-Yu; Zhao, Yan-Xia; Liu, Qing-Yu; Meng, Jing-Heng; He, Sheng-Gui

    2016-01-26

    The study of chemical reactions between gold-containing heteronuclear oxide clusters and small molecules can provide molecular level mechanisms to understand the excellent activity of gold supported by metal oxides. While the promotion role of gold in alkane transformation was identified in the clusters with atomic oxygen radicals (O(-.)), the role of gold in the systems without O(-.) is not clear. By employing mass spectrometry and quantum chemistry calculations, the reactivity of Au2 VO3(+) clusters with closed-shell electronic structures toward ethane was explored. Both the dehydrogenation and ethene elimination channels were identified. It is gold rather than oxygen species initiating the C-H activation. The Au-Au dimer formed during the reactions plays important roles in ethane transformation. The reactivity comparison between Au2 VO3(+) and bare Au2(+) demonstrates that Au2 VO3(+) not only retains the property of bare Au2(+) that transforming ethane to dihydrogen, but also exhibits new functions in converting ethane to ethene, which reveals the importance of the composite system. This study provides a further understanding of the reactivity of metal oxide supported gold in alkane activation and transformation. PMID:26679978

  9. Identifying Different Types of Catalysts for CO2 Reduction by Ethane through Dry Reforming and Oxidative Dehydrogenation.

    PubMed

    Porosoff, Marc D; Myint, Myat Noe Zin; Kattel, Shyam; Xie, Zhenhua; Gomez, Elaine; Liu, Ping; Chen, Jingguang G

    2015-12-14

    The recent shale gas boom combined with the requirement to reduce atmospheric CO2 have created an opportunity for using both raw materials (shale gas and CO2 ) in a single process. Shale gas is primarily made up of methane, but ethane comprises about 10 % and reserves are underutilized. Two routes have been investigated by combining ethane decomposition with CO2 reduction to produce products of higher value. The first reaction is ethane dry reforming which produces synthesis gas (CO+H2 ). The second route is oxidative dehydrogenation which produces ethylene using CO2 as a soft oxidant. The results of this study indicate that the Pt/CeO2 catalyst shows promise for the production of synthesis gas, while Mo2 C-based materials preserve the CC bond of ethane to produce ethylene. These findings are supported by density functional theory (DFT) calculations and X-ray absorption near-edge spectroscopy (XANES) characterization of the catalysts under in situ reaction conditions. PMID:26554872

  10. Identifying different types of catalysts for CO2 reduction by ethane through dry reforming and oxidative dehydrogenation

    SciTech Connect

    Marc D. Porosoff; Chen, Jingguang G.; Myint, Myat Noe Zin; Kattel, Shyam; Xie, Zhenhua; Gomez, Elaine; Liu, Ping

    2015-11-10

    In this study, the recent shale gas boom combined with the requirement to reduce atmospheric CO2 have created an opportunity for using both raw materials (shale gas and CO2) in a single process. Shale gas is primarily made up of methane, but ethane comprises about 10 % and reserves are underutilized. Two routes have been investigated by combining ethane decomposition with CO2 reduction to produce products of higher value. The first reaction is ethane dry reforming which produces synthesis gas (CO+H2). The second route is oxidative dehydrogenation which produces ethylene using CO2 as a soft oxidant. The results of this study indicate that the Pt/CeO2 catalyst shows promise for the production of synthesis gas, while Mo2C-based materials preserve the C—C bond of ethane to produce ethylene. These findings are supported by density functional theory (DFT) calculations and X-ray absorption near-edge spectroscopy (XANES) characterization of the catalysts under in situ reaction conditions.

  11. Identifying different types of catalysts for CO2 reduction by ethane through dry reforming and oxidative dehydrogenation

    DOE PAGES

    Marc D. Porosoff; Chen, Jingguang G.; Myint, Myat Noe Zin; Kattel, Shyam; Xie, Zhenhua; Gomez, Elaine; Liu, Ping

    2015-11-10

    In this study, the recent shale gas boom combined with the requirement to reduce atmospheric CO2 have created an opportunity for using both raw materials (shale gas and CO2) in a single process. Shale gas is primarily made up of methane, but ethane comprises about 10 % and reserves are underutilized. Two routes have been investigated by combining ethane decomposition with CO2 reduction to produce products of higher value. The first reaction is ethane dry reforming which produces synthesis gas (CO+H2). The second route is oxidative dehydrogenation which produces ethylene using CO2 as a soft oxidant. The results of thismore » study indicate that the Pt/CeO2 catalyst shows promise for the production of synthesis gas, while Mo2C-based materials preserve the C—C bond of ethane to produce ethylene. These findings are supported by density functional theory (DFT) calculations and X-ray absorption near-edge spectroscopy (XANES) characterization of the catalysts under in situ reaction conditions.« less

  12. Comparative Study on Oxidative Treatments of NAPL Containing Chlorinated Ethanes and Ethenes using Hydrogen Peroxide and Persulfate in Soils

    EPA Science Inventory

    The goal of this study was to assess the oxidation of NAPL in soil, 30% of which were composed of chlorinated ethanes and ethenes, using catalyzed hydrogen peroxide (CHP), activated persulfate (AP), and H2O2–persulfate (HP) co-amendment systems. Citrate, a buffer and iron ligand,...

  13. THE EFFECTS OF EQUIVALENCE RATIO ON THE FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND SOOT IN PREMIXED ETHANE FLAMES. (R825412)

    EPA Science Inventory

    Abstract

    The formation of polycyclic aromatic hydrocarbons (PAH) and soot has been investigated in atmospheric-pressure, laminar, ethane/oxygen/argon premixed flames as a function of mixture equivalence ratio. Mole fraction profiles of major products, trace aromatics, ...

  14. Introduction of π-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane

    SciTech Connect

    Li, Baiyan; Zhang, Yiming; Krishna, Rajamani; Yao, Kexin; Han, Yu; Wu, Zili; Ma, Dingxuan; Shi, Zhan; Pham, Tony; Space, Brian; Liu, Jian; Thallapally, Praveen K.; Liu, Jun; Matthew, Chrzanowski; Ma, Shengqian

    2014-06-05

    We report herein a strategy of incorporating air stable Ag(I) ions into water stable, high surface area porous organic polymer (POP) affording significant increase in ethylene uptake capacity and extremely high Qst for ethylene (over 100 kJ/mol at low ethylene load-ing) as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and equimolar ethylene/ethane ratio at 296 K reveal PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivi-ty (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. This alongside excellent water/air stability, high ethylene uptake capacity, and mild regeneration requirements make PAF-1-SO3Ag hold promise for adsorption-based eth-ylene/ethane separations, paving a way to develop Ag(I) ion function-alized POPs as a new platform for highly selective adsorption of eth-ylene over ethane.

  15. Ag(I) Ion Functionalized Porous Organic Polymers As a New Platform for Highly Selective Adsorption of Ethylene over Ethane

    SciTech Connect

    LI, Baiyan; Zhang, Yiming; Ma, Dingxuan; Wu, Zili; Ma, Shengqian

    2014-01-01

    We report herein a strategy of incorporating air stable Ag(I) ions into water stable, high surface area porous organic polymer (POP) affording significant increase in ethylene uptake capacity and extremely high Qst for ethylene (over 100 kJ/mol at low ethylene load-ing) as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and equimolar ethylene/ethane ratio at 296 K reveal PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivi-ty (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. This alongside excellent water/air stability, high ethylene uptake capacity, and mild regeneration requirements make PAF-1-SO3Ag hold promise for adsorption-based eth-ylene/ethane separations, paving a way to develop Ag(I) ion function-alized POPs as a new platform for highly selective adsorption of eth-ylene over ethane.

  16. A co-crystal between benzene and ethane: a potential evaporite material for Saturn’s moon Titan

    PubMed Central

    Maynard-Casely, Helen E.; Hodyss, Robert; Cable, Morgan L.; Vu, Tuan Hoang; Rahm, Martin

    2016-01-01

    Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C—H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group with a = 15.977 (1) Å and c = 5.581 (1) Å at 90 K, with a density of 1.067 g cm−3. The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn’s moon Titan’s lakes, an evaporite material. PMID:27158505

  17. Synthesis, Characterization, and Theoretical Considerations of 1,2-bis(oxyamino)ethane Salts

    NASA Technical Reports Server (NTRS)

    Crake, Greg; Hawkins, Tom; Hall, Leslie; Tollison, Kerri; Brand, Adam

    2003-01-01

    The synthesis, characterization, theoretical calculations, and safety studies of energetic salts of 1,2- bis(oxyamino) ethane, (H2N-O-CH2-CH2-O-NH2), were carried out. The salts were characterized by vibrational (infrared, Raman), multinuclear nmr studies (1H, 13C), differential scanning calorimetry (DSC); elemental analysis; and initial safety testing (impact and friction sensitivity) . Theoretical calculations on the neutral, monoprotonated, and doubly protonated species of ethylene bisoxyamine were carried out using xxxx level of theory for the lowest energy structure and these theoretical results compared with the experimentally observed bond distances and vibrational (ir, Raman) frequency values. The single crystal X-ray diffraction study was carried out on the mono-perchlorate salt revealing a high degree of hydrogen bonding with an unexpected structure.

  18. Quantum molecular dynamics simulations of equation of state of warm dense ethane

    NASA Astrophysics Data System (ADS)

    Li, Chuan-Ying; Wang, Cong; Li, Yong-Sheng; Li, Da-Fang; Li, Zi; Zhang, Ping

    2016-09-01

    The equation of state of warm dense ethane is obtained using quantum molecular dynamics simulations based on finite-temperature density functional theory for densities from 0.1 g / cm 3 to 3.1 g / cm 3 and temperatures from 0.1 eV to 5.17 eV. The calculated pressure and internal energy are fitted with cubic polynomials in terms of density and temperature. Specific density-temperature-pressure tracks such as the principal and double shock Hugoniot curves along with release isentropes are predicted which are fundamental for the analysis and interpretation of high-pressure experiments. The principal and double shock Hugoniot curves are in agreement with the experimental data from the Sandia Z-Machine [Magyar et al., Phys. Rev. B 91, 134109 (2015)].

  19. In-vacuum thermolysis of ethane 1,2-diamineborane for the synthesis of ternary borocarbonitrides.

    PubMed

    Massimi, Lorenzo; Betti, Maria Grazia; Caramazza, Simone; Postorino, Paolo; Mariani, Carlo; Latini, Alessandro; Leardini, Fabrice

    2016-10-28

    High-temperature (1000 °C) thermolytic decomposition of ethane 1,2-diamineborane (BH3NH2CH2CH2NH2BH3) deposited onto a Cu foil has been performed in an ultra-high-vacuum environment. A combined thermolytic, structural (x-ray diffraction), microscopic (scanning electron microscopy) and spectroscopic (Raman, x-ray photoemission spectroscopy) analysis, has identified a ternary borocarbonitride (BCN) compound as a result of the process. The obtained BCN compound is nanocrystalline, surrounded by crystallites of ammonium hydroxide borate hydrate. The ternary compound presents a 0.2:0.6:0.2 B:C:N composition in the bulk and 0.11:0.76:0.13 stoichiometry at the very surface, richer in C-C networks with respect to the bulk. Furthermore, the resulting BCN compound does not show oxidation at the surface due to the in-vacuum thermolysis of the single precursor. PMID:27655270

  20. In-vacuum thermolysis of ethane 1,2-diamineborane for the synthesis of ternary borocarbonitrides

    NASA Astrophysics Data System (ADS)

    Massimi, Lorenzo; Grazia Betti, Maria; Caramazza, Simone; Postorino, Paolo; Mariani, Carlo; Latini, Alessandro; Leardini, Fabrice

    2016-10-01

    High-temperature (1000 °C) thermolytic decomposition of ethane 1,2-diamineborane (BH3NH2CH2CH2NH2BH3) deposited onto a Cu foil has been performed in an ultra-high-vacuum environment. A combined thermolytic, structural (x-ray diffraction), microscopic (scanning electron microscopy) and spectroscopic (Raman, x-ray photoemission spectroscopy) analysis, has identified a ternary borocarbonitride (BCN) compound as a result of the process. The obtained BCN compound is nanocrystalline, surrounded by crystallites of ammonium hydroxide borate hydrate. The ternary compound presents a 0.2:0.6:0.2 B:C:N composition in the bulk and 0.11:0.76:0.13 stoichiometry at the very surface, richer in C-C networks with respect to the bulk. Furthermore, the resulting BCN compound does not show oxidation at the surface due to the in-vacuum thermolysis of the single precursor.

  1. Degradation of selected halogenated ethanes in anoxic sediment-water systems

    SciTech Connect

    Jafvert, C.T.; Wolfe, N.L.

    1987-01-01

    The degradation of selected halogenated ethanes was studied in anoxic sediment-water suspensions at 1 to 20% sediment concentrations. Batch kinetic experiments were used to quantify decay. Eh measurements of all suspensions were below -100mV (vs SHE), indicating reduced environmental conditions. Hexachloroethane (HCA), 1,1,2,2-tetrachloroethane (TTCA), 1,2-diiodoethane (DIA) and 1,2-dibromoethane (DBA) were degraded within minutes to days, but 1,2-dichloroethane (DCA) remained in the system through 35 d, at which point the study was ended. The major route of transformation of these compounds in the system was vicinal dehalogenation. Rates of disappearance followed pseudo-first-order kinetics at low reactant concentrations and high sediment concentration.

  2. Infrared spectra and optical constants of astronomical ices: II. Ethane and ethylene

    NASA Astrophysics Data System (ADS)

    Hudson, R. L.; Gerakines, P. A.; Moore, M. H.

    2014-11-01

    Infrared spectroscopic observations have established the presence of hydrocarbon ices on Pluto and other TNOs, but the abundances of such molecules cannot be deduced without accurate optical constants (n, k) and reference spectra. In this paper we present our recent measurements of near- and mid-infrared optical constants for ethane (C2H6) and ethylene (C2H4) in multiple ice phases and at multiple temperatures. As in our recent work on acetylene (C2H2), we also report new measurements of the index of refraction of each ice at 670 nm. Comparisons are made to earlier work where possible, and electronic versions of our new results are made available.

  3. Ab initio study of the organic xenon insertion compound into ethylene and ethane

    NASA Astrophysics Data System (ADS)

    Zhang, Min; Sheng, Li

    2013-03-01

    This paper studies Xe-insertion ethylene and ethane compounds, i.e., HXeC2H3 and HXeC2H5. The structures, harmonic frequencies, and energetics for both molecules have been calculated at the MP2(full)/6-311++G(2d,2p) level. Our theoretical results predict the existence of HXeC2H3 and the instability of HXeC2H5. Natural bond orbital (NBO) analysis shows a strong ionic bond between the xenon atom and hydrocarbon radical. In addition, the interaction between the donor (Xe lone pair) and acceptor (the C-C antibonding orbital, i.e., π*(C-C)) increases the stability of HXeC2H3.

  4. Infrared Spectra and Optical Constants of Astronomical Ices: II. Ethane and Ethylene

    NASA Technical Reports Server (NTRS)

    Hudson, Reggie L.; Gerakines, Perry A.; Moore, M. H.

    2014-01-01

    Infrared spectroscopic observations have established the presence of hydrocarbon ices on Pluto and other TNOs, but the abundances of such molecules cannot be deduced without accurate optical constants (n, k) and reference spectra. In this paper we present our recent measurements of near- and mid-infrared optical constants for ethane (C2H6) and ethylene (C2H4) in multiple ice phases and at multiple temperatures. As in our recent work on acetylene (C2H2), we also report new measurements of the index of refraction of each ice at 670 nm. Comparisons are made to earlier work where possible, and electronic versions of our new results are made available.

  5. In-vacuum thermolysis of ethane 1,2-diamineborane for the synthesis of ternary borocarbonitrides.

    PubMed

    Massimi, Lorenzo; Betti, Maria Grazia; Caramazza, Simone; Postorino, Paolo; Mariani, Carlo; Latini, Alessandro; Leardini, Fabrice

    2016-10-28

    High-temperature (1000 °C) thermolytic decomposition of ethane 1,2-diamineborane (BH3NH2CH2CH2NH2BH3) deposited onto a Cu foil has been performed in an ultra-high-vacuum environment. A combined thermolytic, structural (x-ray diffraction), microscopic (scanning electron microscopy) and spectroscopic (Raman, x-ray photoemission spectroscopy) analysis, has identified a ternary borocarbonitride (BCN) compound as a result of the process. The obtained BCN compound is nanocrystalline, surrounded by crystallites of ammonium hydroxide borate hydrate. The ternary compound presents a 0.2:0.6:0.2 B:C:N composition in the bulk and 0.11:0.76:0.13 stoichiometry at the very surface, richer in C-C networks with respect to the bulk. Furthermore, the resulting BCN compound does not show oxidation at the surface due to the in-vacuum thermolysis of the single precursor.

  6. AIRBORNE, OPTICAL REMOTE SENSING OF METHANE AND ETHANE FOR NATURAL GAS PIPELINE LEAK DETECTION

    SciTech Connect

    Jerry Myers

    2003-05-13

    Ophir Corporation was awarded a contract by the U. S. Department of Energy, National Energy Technology Laboratory under the Project Title ''Airborne, Optical Remote Sensing of Methane and Ethane for Natural Gas Pipeline Leak Detection'' on October 14, 2002. This six-month technical report summarizes the progress for each of the proposed tasks, discusses project concerns, and outlines near-term goals. Ophir has completed a data survey of two major natural gas pipeline companies on the design requirements for an airborne, optical remote sensor. The results of this survey are disclosed in this report. A substantial amount of time was spent on modeling the expected optical signal at the receiver at different absorption wavelengths, and determining the impact of noise sources such as solar background, signal shot noise, and electronic noise on methane and ethane gas detection. Based upon the signal to noise modeling and industry input, Ophir finalized the design requirements for the airborne sensor, and released the critical sensor light source design requirements to qualified vendors. Responses from the vendors indicated that the light source was not commercially available, and will require a research and development effort to produce. Three vendors have responded positively with proposed design solutions. Ophir has decided to conduct short path optical laboratory experiments to verify the existence of methane and absorption at the specified wavelength, prior to proceeding with the light source selection. Techniques to eliminate common mode noise were also evaluated during the laboratory tests. Finally, Ophir has included a summary of the potential concerns for project success and has established future goals.

  7. Structure, spectroscopy and DFT calculations of 1,2-di(3-hydroxymethylpyridinium)ethane dibromide

    NASA Astrophysics Data System (ADS)

    Komasa, Anna; Barczyński, Piotr; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej; Dega-Szafran, Zofia; Szafran, Mirosław

    2016-09-01

    The molecular structure of 1,2-di(3-hydroxymethylpyridinium)ethane dibromide (1) has been characterized by X-ray diffraction, B3LYP/6-311++G(d,p) calculations, FTIR, Raman and NMR spectra. The crystals are monoclinic, space group C2/c. 1,2-Di(3-hydroxymethylpyridinium)ethane dication and hydrogen-bonded bromide anions in crystals are located at the inversion center. The both CH2OH groups are engaged in two equal length hydrogen bonds with bromide anions. Two structures (2) and (3) were optimized at the B3LYP/6-311++G(d,p) level of theory. The optimized complex (2) resembles the crystal structure, while complex (3) is preferred energetically. The O⋯Br- hydrogen bonds distances are: 3.289(2) Å in crystals (1), but in the optimized structures (2) and (3) they are 3.303 Å and 3.461 Å, respectively. The investigated complex is additionally stabilized by the N+⋯Br- electrostatic attractions. The potential energy distributions (PED) were used for the assignments of IR and Raman frequencies in the experimental and calculated spectra of the title compound. The FTIR spectrum of (1) is consistent with the X-ray results. Interpretation of the 1H and 13C NMR spectra in DMSO-d6 has been based on 2D experiments. The calculated GIAO/B3LYP/6-311++G(d,p) magnetic shielding constants have been used to predict 1H and 13C chemical shifts for the optimized structures of (2) and (3).

  8. Meridional Mapping of Ethane (C2H6) Infrared Emission from Saturn's Southern (Summer) Stratosphere

    NASA Astrophysics Data System (ADS)

    Livengood, T. A.; Kostiuk, T.; Sonnabend, G.; Romani, P. N.; Fast, K. E.; Hewagama, T.; Annen, J. N.; Buhl, D.

    2004-11-01

    Thermally-excited infrared emission from ethane (C2H6), formed in Saturn's southern (summer) stratosphere, was observed in February 2004 using line-resolved spectroscopy. Measured spectra were acquired at 15o intervals along Saturn's East limb, from 15o - 90o south at longitude offset from the central meridian selected to obtain a uniform viewing angle of 64o. Additional spectra were acquired on Saturn's southern auroral zone near the limb and at the central meridian, at ≈ 78oS latitude, testing for the presence at millibar pressures of zonal wind driven by ionospheric currents, as recently reported by Stallard et al. (Icarus 167, 204--211, 2004) for the nanobar-to-microbar pressure regime. The observations were conducted using the Goddard Space Flight Center Heterodyne Instrument for Planetary Wind And Composition (HIPWAC) at the NASA Infrared Telescope Facility on Mauna Kea, Hawaii. The spectrum obtained from the HIPWAC optical front-end was measured and recorded independently using an RF filter-bank system to obtain resolving power λ /Δ λ = 1-5 × 106 and by an acousto-optic spectrometer (AOS) system to obtain resolving power λ /Δ λ = 25 × 106, at 11.744 μm and at 11.816 μm wavelength. The detailed lineshape and the ratio of strong and weak line features separately constrain the temperature and ethane mole fraction within the region of line formation. These measurements complement the Cassini CIRS observation program for Saturn, which will have much higher spatial resolution and spectral bandwidth but much lower spectral resolving power than the present observations. These observations are part of an on-going program observing seasonal change in Saturn's stratosphere since 1989. This work was supported by the NASA Planetary Astronomy Program.

  9. Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)-Oxo Sites in Magnesium-Diluted Fe2(dobdc).

    PubMed

    Verma, Pragya; Vogiatzis, Konstantinos D; Planas, Nora; Borycz, Joshua; Xiao, Dianne J; Long, Jeffrey R; Gagliardi, Laura; Truhlar, Donald G

    2015-05-01

    The catalytic properties of the metal-organic framework Fe2(dobdc), containing open Fe(II) sites, include hydroxylation of phenol by pure Fe2(dobdc) and hydroxylation of ethane by its magnesium-diluted analogue, Fe0.1Mg1.9(dobdc). In earlier work, the latter reaction was proposed to occur through a redox mechanism involving the generation of an iron(IV)-oxo species, which is an intermediate that is also observed or postulated (depending on the case) in some heme and nonheme enzymes and their model complexes. In the present work, we present a detailed mechanism by which the catalytic material, Fe0.1Mg1.9(dobdc), activates the strong C-H bonds of ethane. Kohn-Sham density functional and multireference wave function calculations have been performed to characterize the electronic structure of key species. We show that the catalytic nonheme-Fe hydroxylation of the strong C-H bond of ethane proceeds by a quintet single-state σ-attack pathway after the formation of highly reactive iron-oxo intermediate. The mechanistic pathway involves three key transition states, with the highest activation barrier for the transfer of oxygen from N2O to the Fe(II) center. The uncatalyzed reaction, where nitrous oxide directly oxidizes ethane to ethanol is found to have an activation barrier of 280 kJ/mol, in contrast to 82 kJ/mol for the slowest step in the iron(IV)-oxo catalytic mechanism. The energetics of the C-H bond activation steps of ethane and methane are also compared. Dehydrogenation and dissociation pathways that can compete with the formation of ethanol were shown to involve higher barriers than the hydroxylation pathway. PMID:25882096

  10. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients.

    PubMed

    Hatzinger, Paul B; Streger, Sheryl H; Begley, James F

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to <0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values. PMID:25437228

  11. Identification of Novel Methane-, Ethane-, and Propane-Oxidizing Bacteria at Marine Hydrocarbon Seeps by Stable Isotope Probing ▿ †

    PubMed Central

    Redmond, Molly C.; Valentine, David L.; Sessions, Alex L.

    2010-01-01

    Marine hydrocarbon seeps supply oil and gas to microorganisms in sediments and overlying water. We used stable isotope probing (SIP) to identify aerobic bacteria oxidizing gaseous hydrocarbons in surface sediment from the Coal Oil Point seep field located offshore of Santa Barbara, California. After incubating sediment with 13C-labeled methane, ethane, or propane, we confirmed the incorporation of 13C into fatty acids and DNA. Terminal restriction fragment length polymorphism (T-RFLP) analysis and sequencing of the 16S rRNA and particulate methane monooxygenase (pmoA) genes in 13C-DNA revealed groups of microbes not previously thought to contribute to methane, ethane, or propane oxidation. First, 13C methane was primarily assimilated by Gammaproteobacteria species from the family Methylococcaceae, Gammaproteobacteria related to Methylophaga, and Betaproteobacteria from the family Methylophilaceae. Species of the latter two genera have not been previously shown to oxidize methane and may have been cross-feeding on methanol, but species of both genera were heavily labeled after just 3 days. pmoA sequences were affiliated with species of Methylococcaceae, but most were not closely related to cultured methanotrophs. Second, 13C ethane was consumed by members of a novel group of Methylococcaceae. Growth with ethane as the major carbon source has not previously been observed in members of the Methylococcaceae; a highly divergent pmoA-like gene detected in the 13C-labeled DNA may encode an ethane monooxygenase. Third, 13C propane was consumed by members of a group of unclassified Gammaproteobacteria species not previously linked to propane oxidation. This study identifies several bacterial lineages as participants in the oxidation of gaseous hydrocarbons in marine seeps and supports the idea of an alternate function for some pmoA-like genes. PMID:20675448

  12. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients

    NASA Astrophysics Data System (ADS)

    Hatzinger, Paul B.; Streger, Sheryl H.; Begley, James F.

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to < 0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values.

  13. Enhancing aerobic biodegradation of 1,2-dibromoethane in groundwater using ethane or propane and inorganic nutrients.

    PubMed

    Hatzinger, Paul B; Streger, Sheryl H; Begley, James F

    2015-01-01

    1,2-Dibromoethane (ethylene dibromide; EDB) is a probable human carcinogen that was previously used as both a soil fumigant and a scavenger in leaded gasoline. EDB has been observed to persist in soils and groundwater, particularly under oxic conditions. The objective of this study was to evaluate options to enhance the aerobic degradation of EDB in groundwater, with a particular focus on possible in situ remediation strategies. Propane gas and ethane gas were observed to significantly stimulate the biodegradation of EDB in microcosms constructed with aquifer solids and groundwater from the FS-12 EDB plume at Joint Base Cape Cod (Cape Cod, MA), but only after inorganic nutrients were added. Ethene gas was also effective, but rates were appreciably slower than for ethane and propane. EDB was reduced to <0.02 μg/L, the Massachusetts state Maximum Contaminant Level (MCL), in microcosms that received ethane gas and inorganic nutrients. An enrichment culture (BE-3R) that grew on ethane or propane gas but not EDB was obtained from the site materials. The degradation of EDB by this culture was inhibited by acetylene gas, suggesting that degradation is catalyzed by a monooxygenase enzyme. The BE-3R culture was also observed to biodegrade 1,2-dichloroethane (DCA), a compound commonly used in conjunction with EDB as a lead scavenger in gasoline. The data suggest that addition of ethane or propane gas with inorganic nutrients may be a viable option to enhance degradation of EDB in groundwater aquifers to below current state or federal MCL values.

  14. Sulfone/Ester Polymers Containing Pendent Ethynyl Groups

    NASA Technical Reports Server (NTRS)

    Hergenrother, P. M.; Jensen, B. J.

    1986-01-01

    Two processes make high-performance polymers resistant to solvents, without compromising mechanical characteristics. Polymers show improved solvent resistance while retaining high toughness, thermoformability, and mechanical performance. Multistep process involves conversion of pendent bromo group to ethynyl group, while direct process involves reacting hydroxy-terminated sulfone oligomers or polymers with stoichiometric amount of 5-(4-ethynylphenoxy) isophthaloyl chloride. Applications for new polymers include adhesives, composite resin matrices, moldings, ultrafiltration membranes, protective coatings, and such electrical insulators as thin films for microelectronic circuitry.

  15. Photo- and Electroluminescence of Substituted Divinyl Dibenzothiophene Sulfone

    NASA Astrophysics Data System (ADS)

    Samsonova, L. G.; Degtyarenko, K. M.; Kopylova, T. N.; Palatova, A. V.; Kukhta, A. V.

    2016-08-01

    The spectral properties of two substituted divinyl dibenzothiophene sulfone in solutions of tetrahydrofuran, polyvinylcarbazole films, and films obtained by thermal vacuum deposition are investigated. The ability of these compounds in thin-layer ITO/PEDOT:PSS/NPD/L/Ca/Al and ITO/PEDOT:PSS/PVK+L/Ca/Al structures (L denotes the examined luminophore) to emit radiation at applied voltage is investigated. It is shown that the spectra of photo- and electroluminescence in the film have a strong red shift of ~100 nm compared to the photoluminescence in solutions. It is suggested that radiation belongs to excimers.

  16. The Palladium-Catalyzed Trifluoromethylation of Vinyl Sulfonates

    PubMed Central

    Cho, Eun Jin; Buchwald, Stephen L.

    2011-01-01

    A method for the palladium-catalyzed trifluoromethylation of cyclohexenyl sulfonates has been developed. Various cyclohexenyl triflates and nonaflates underwent trifluoromethylation under mild reaction conditions using a catalyst system composed of Pd(dba)2 or [(allyl)PdCl]2 and the monodentate biaryl phosphine ligand tBuXPhos. The trifluoromethyl anion (CF3−) or its equivalent for the process was generated in situ from TMSCF3 in combination with KF or TESCF3 in combintion with RbF. PMID:22111687

  17. Bis(3-amino-phen-yl) sulfone acetonitrile solvate.

    PubMed

    Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Lu, Chui; Zhu, Jin-Na

    2008-05-21

    In the sulfone mol-ecule of the title compound, C(12)H(12)N(2)O(2)S·C(2)H(3)N, the two benzene rings are oriented at a dihedral angle of 80.69 (3)°. Weak intra-molecular C-H⋯O hydrogen bonds result in the formation of two five-membered rings, which both have envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules.

  18. Rh(III)-catalyzed synthesis of sultones through C-H activation directed by a sulfonic acid group.

    PubMed

    Qi, Zisong; Wang, Mei; Li, Xingwei

    2014-09-01

    A new rhodium-catalyzed synthesis of sultones via the oxidative coupling of sulfonic acids with internal alkynes is described. The reaction proceeds via aryl C-H activation assisted by a sulfonic acid group.

  19. Arylative Desulfonation of Diarylmethyl Phenyl Sulfone with Arenes Catalyzed by Scandium Triflate.

    PubMed

    Nambo, Masakazu; Ariki, Zachary T; Canseco-Gonzalez, Daniel; Beattie, D Dawson; Crudden, Cathleen M

    2016-05-20

    A scandium-triflate-catalyzed arylative desulfonation of diarylmethyl phenyl sulfones with arenes and heteroarenes was established. A variety of both sulfone and arene substrates were reacted to afford symmetric and nonsymmetric triarylmethanes in good yields. Further transformations of the resulting triarylmethanes and application to the concise synthesis of a bactericidal agent analogue were also demonstrated.

  20. Oil recovery method utilizing a dialkyl phenol polyethoxy alkyl sulfonate as a solubilizing co-surfactant

    SciTech Connect

    Dunn, N.G.; Hughes, J.W.; Kudchadker, M.V.

    1980-09-02

    The dialkylbenzene polyethoxy alkyl sulfonate is combined with a water soluble petroleum sulfonate surfactant to form an effective surfactant solution that is stable in high salinity environments. The surfactant solution is injected into an underground petroleum reservoir in order to recover crude oil therefrom.

  1. Arylative Desulfonation of Diarylmethyl Phenyl Sulfone with Arenes Catalyzed by Scandium Triflate.

    PubMed

    Nambo, Masakazu; Ariki, Zachary T; Canseco-Gonzalez, Daniel; Beattie, D Dawson; Crudden, Cathleen M

    2016-05-20

    A scandium-triflate-catalyzed arylative desulfonation of diarylmethyl phenyl sulfones with arenes and heteroarenes was established. A variety of both sulfone and arene substrates were reacted to afford symmetric and nonsymmetric triarylmethanes in good yields. Further transformations of the resulting triarylmethanes and application to the concise synthesis of a bactericidal agent analogue were also demonstrated. PMID:27124389

  2. 40 CFR 721.10045 - Diazotized substituted heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (generic). 721.10045... derivative, nickel complex, alkaline salt (generic). (a) Chemical substance and significant new uses subject... heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (PMN P-02-737)...

  3. 40 CFR 721.10045 - Diazotized substituted heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (generic). 721.10045... derivative, nickel complex, alkaline salt (generic). (a) Chemical substance and significant new uses subject... heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (PMN P-02-737)...

  4. 40 CFR 721.10045 - Diazotized substituted heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (generic). 721.10045... derivative, nickel complex, alkaline salt (generic). (a) Chemical substance and significant new uses subject... heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (PMN P-02-737)...

  5. 40 CFR 721.10045 - Diazotized substituted heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (generic). 721.10045... derivative, nickel complex, alkaline salt (generic). (a) Chemical substance and significant new uses subject... heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (PMN P-02-737)...

  6. 40 CFR 721.10045 - Diazotized substituted heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (generic). 721.10045... derivative, nickel complex, alkaline salt (generic). (a) Chemical substance and significant new uses subject... heteromonocycle coupled with naphthalene sulfonic acid derivative, nickel complex, alkaline salt (PMN P-02-737)...

  7. Bis-sulfonic acid ionic liquids for the conversion of fructose to 5-hydroxymethyl-2-furfural.

    PubMed

    Sim, Sang Eun; Kwon, Sunjeong; Koo, Sangho

    2012-10-31

    Homogenous bis-sulfonic acid ionic liquids (1 mol equiv.) in DMSO (10 mol equiv.) at 100 °C efficiently mediated the conversion of D-fructose into 5-hydroxymethyl-2-furfural in 75% isolated yield, which was roughly a 10% increment compared to the case of the mono-sulfonic acid ionic liquids.

  8. Synthesis and Structure-Property Relationships of Poly(sulfone)s for Anion Exchange Membranes

    SciTech Connect

    Yan, JL; Moore, HD; Hibbs, MR; Hickner, MA

    2013-10-05

    Membranes based on cationic polymers that conduct anions are important for enabling alkaline membrane fuel cells and other solid-state electrochemical devices that operate at high pH. Anion exchange membranes with poly(arylene ether sulfone) backbones are demonstrated by two routes: chloromethylation of commercially available poly(sulfone)s or radical bromination of benzylmethyl moieties in poly(sulfone)s containing tetramethylbisphenol A monomer residues. Polymers with tethered trimethylbenzyl ammonium moieties resulted from conversion of the halomethyl groups by quaternization with trimethyl amine. The water uptake of the chloromethylated polymers was dependent on the type of poly(sulfone) backbone for a given IEC. Bisphenol A-based Udel (R) poly(sulfone) membranes swelled in water to a large extent while membranes from biphenol-based Radel (R) poly(sulfone), a stiffer backbone than Udel, only showed moderate water uptake. The water uptake of cationic poly(sulfone)s was further reduced by synthesizing tetramethylbisphenol A and 4,4-biphenol-containing poly(sulfone) copolymers where the ionic groups were clustered on the tetramethylbisphenol A residues. The conductivity of all samples scaled with the bulk water uptake. The hydration number of the membranes could be increased by casting membranes from the ionic form polymers versus converting the halomethyl form cast polymers to ionic form in the solid state. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 1790-1798, 2013

  9. Solvation Behavior of Short-chain Polystyrene Sulfonate in Aqueous Electrolyte Solutions: A Molecular Dyamics Study

    SciTech Connect

    Chialvo, Ariel A; Simonson, J Michael {Mike}

    2005-01-01

    We analyze the solvation behavior of short-chain polystyrene sulfonate (PSS) in aqueous electrolyte solutions by isothernal-isochoric molecular dynamics simulation to determine the solvation effects on the structure and conformation of the polyelectrolyte as a function of the aqueous environment. To that end, we study these aqueous systems including the explicit atomistic description of water, the PSS chain, and their interactions with all species in solution. In addition, we investigate the effect of the degree of sulfonation and its distribution along the PSS chain on the resulting conformation as well as solvation structure. Moreover, we assess the impact of added salts on the net charge of the PSS backbone, placing emphasis on the valence of the counterion and the extent of the ion-pair formation between the sulfonate group and the counterions. Finally, we present evidence for the so-called like-charge attraction between sulfonate groups through the formation of counterion-mediated interchain sulfonate-sulfonate and water-mediated intrachain sulfonate-sulfonate bridges, as well as between unlike counterion-counterion interactions.

  10. Enantioselective transformation of Na2SO3 into allylic sulfonic acids under Pd catalysis.

    PubMed

    Liu, Wei; Zhao, Xiao-ming; Zhang, Hong-bo; Zhang, Liang

    2015-01-14

    Pd-catalyzed asymmetric allylic sulfonation of di-aryl-substituted allylic acetates with sodium sulfite (Na2SO3) in THF-H2O at room temperature was described. This method directly provided allylic sulfonic acids in up to excellent yield and enantioselectivity. PMID:25415622

  11. Colonic necrosis due to calcium polystyrene sulfonate (Kalimate) not suspended in sorbitol.

    PubMed

    Castillo-Cejas, María Dolores; de-Torres-Ramírez, Inés; Alonso-Cotoner, Carmen

    2013-04-01

    Cation-exchange resins are used in the management of hyperkalemia, particularly in patients with end-stage renal disease. These resins were associated with gastrointestinal tract lesions, especially sodium polystyrene sulfonate (Kayexalate) mixed with sorbitol. We present a case of colonic necrosis after the administration of calcium polystyrene sulfonate (Kalimate) not suspended in sorbitol.

  12. Calix[4]arene sulfonate as a template for forming fluorescent thiazole orange H-aggregates.

    PubMed

    Lau, Vivian; Heyne, Belinda

    2010-05-28

    The unexpected interaction between thiazole orange (TO) and calix[4]arene sulfonate is reported herein. H-Aggregates of TO switching on their fluorescence in solution are observed. Surprisingly, fluorescence enhancement is not linked to host-guest inclusion, but rather to calix[4]arene sulfonate serving as a template for several TO molecules.

  13. 40 CFR 721.10487 - Alkylbenzenes sulfonic acids, metal salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... salts (generic). 721.10487 Section 721.10487 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10487 Alkylbenzenes sulfonic acids, metal salts (generic). (a) Chemical... as alkylbenzenes sulfonic acids, metal salts (PMNs P-04-599, P-04-600, P-04-605, and P-04-606)...

  14. Monte-Carlo simulations of methane/carbon dioxide and ethane/carbon dioxide mixture adsorption in zeolites and comparison with matrix treatment of statistical mechanical lattice model

    NASA Astrophysics Data System (ADS)

    Dunne, Lawrence J.; Furgani, Akrem; Jalili, Sayed; Manos, George

    2009-05-01

    Adsorption isotherms have been computed by Monte-Carlo simulation for methane/carbon dioxide and ethane/carbon dioxide mixtures adsorbed in the zeolite silicalite. These isotherms show remarkable differences with the ethane/carbon dioxide mixtures displaying strong adsorption preference reversal at high coverage. To explain the differences in the Monte-Carlo mixture isotherms an exact matrix calculation of the statistical mechanics of a lattice model of mixture adsorption in zeolites has been made. The lattice model reproduces the essential features of the Monte-Carlo isotherms, enabling us to understand the differing adsorption behaviour of methane/carbon dioxide and ethane/carbon dioxide mixtures in zeolites.

  15. Aryl sulfonates as neutral photoacid generators (PAGs) for EUV lithography

    NASA Astrophysics Data System (ADS)

    Sulc, Robert; Blackwell, James M.; Younkin, Todd R.; Putna, E. Steve; Esswein, Katherine; DiPasquale, Antonio G.; Callahan, Ryan; Tsubaki, Hideaki; Tsuchihashi, Tooru

    2009-03-01

    EUV lithography (EUVL) is a leading candidate for printing sub-32 nm hp patterns. In order for EUVL to be commercially viable at these dimensions, a continuous evolution of the photoresist material set is required to simultaneously meet the aggressive specifications for resolution, resist sensitivity, LWR, and outgassing rate. Alternative PAG designs, especially if tailored for EUVL, may aid in the formation of a material set that helps achieve these aggressive targets. We describe the preparation, characterization, and lithographic evaluation of aryl sulfonates as non-ionic or neutral photoacid generators (PAGs) for EUVL. Full lithographic characterization is reported for our first generation resist formulation using compound H, MAP-1H-2.5. It is benchmarked against MAP-1P-5.0, which contains the well-known sulfonium PAG, triphenylsulfonium triflate (compound P). Z-factor analysis indicates nZ32 = 81.4 and 16.8 respectively, indicating that our first generation aryl sulfonate formulations require about 4.8x improvement to match the results achieved with a model onium PAG. Improving the acid generation efficiency and use of the generated byproducts is key to the continued optimization of this class of PAGs. To that end, we believe EI-MS fragmentation patterns and molecular simulations can be used to understand and optimize the nature and efficiency of electron-induced PAG fragmentation.

  16. Nanostructured membranes and electrodes with sulfonic acid functionalized carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Tripathi, Bijay P.; Schieda, M.; Shahi, Vinod K.; Nunes, Suzana P.

    Herein we report the covalent functionalization of multiwall carbon nanotubes by grafting sulfanilic acid and their dispersion into sulfonated poly(ether ether ketone). The nanocomposites were explored as an option for tuning the proton and electron conductivity, swelling, water and alcohol permeability aiming at nanostructured membranes and electrodes for application in alcohol or hydrogen fuel cells and other electrochemical devices. The nanocomposites were extensively characterized, by studying their physicochemical and electrochemical properties. They were processed as self-supporting films with high mechanical stability, proton conductivity of 4.47 × 10 -2 S cm -1 at 30 °C and 16.8 × 10 -2 S cm -1 at 80 °C and 100% humidity level, electron conductivity much higher than for the plain polymer. The methanol permeability could be reduced to 1/20, keeping water permeability at reasonable values. The ratio of bound water also increases with increasing content of sulfonated filler, helping in keeping water in the polymer in conditions of low external humidity level.

  17. Rapid screening and quantification of sulfonate derivatives in white peony root by UHPLC-MS-MS.

    PubMed

    Yan, Zhixiang; Chen, Chen; Xie, Xiabing; Fu, Bo; Yang, Xinghao

    2012-02-01

    A rapid ultra-high-performance liquid chromatographic-tandem mass spectrometric (UHPLC-MS-MS) method has been developed for rapid screening and quantitative analysis of sulfonate derivatives (SDs) in commercial white peony root. Separation was performed on an Agilent Zorbax Eclipse Plus-C18 column by gradient elution with acetonitrile-0.1% (v/v) formic acid as the mobile phase. In-source fragmentation was used to generate the characteristic fragment ion at m/z 259 and to screen for nine SDs. Detection of these SDs was further performed in multiple reaction monitoring (MRM) mode to improve sensitivity and to quantify the two SDs paeoniflorin sulfonate and benzoylpaeoniflorin sulfonate. The method was validated for specificity, linearity, limits of detection and quantification, precision, accuracy, and matrix effects. Nine commercial white peony root samples were examined by use of this method, which revealed great variety in the paeoniflorin sulfonate and benzoylpaeoniflorin sulfonate content.

  18. Solid Sulfonic Acid Catalysts Based on Porous Carbons and Carbon-Silica Composites

    NASA Astrophysics Data System (ADS)

    Tian, Xiao Ning; Luo, Lijuan; Jiang, Zhongqing; Zhao, X. S.

    Mesoporous carbons prepared using a templating method under different carbonization temperatures are sulfonated with concentrated H2SO4. Without the moving of silica template carbon-silica composites were prepared, which can maintain the pore structure well during sulfonation reaction process. The resultant samples are characterized using nitrogen adsorption, transmission electron microscope, field-emission scanning electron microscope, X-ray diffraction, X-ray photoelectron spectroscopy, and elemental analysis techniques. The catalytic performances of the sulfonated carbons and composites are evaluated by esterification reaction of methanol with acetic acid. The results show that a low-temperature carbonization process is favorable for improving the reaction conversion of acetic acid. In addition, the sulfonated carbon-silica composites show a higher acetic acid conversion than the sulfonated mesoporous carbons.

  19. Synthesis and polymerization of substituted ammonium sulfonate monomers for advanced materials applications.

    PubMed

    Cavicchi, Kevin A

    2012-02-01

    Sulfonated polymers have found use as ion-exchange membranes for use in fuel cells, water purification, electroactive devices, and inorganic materials templating and synthesis. Improving the materials for these applications and opening up new applications requires the ability to synthesis targeted or more complex sulfonated polymers, which includes tailoring the chemistry (copolymerization across a wider range of solubility) and/or polymer architecture (block, graft, nanoparticle). This article will summarize the recent work using sulfonated monomers with substituted ammonium counterions as a versatile route for enabling this goal. Two main benefits of these monomers are as follows. First, they are useful for preparing amphiphilic copolymers, which is a challenge using traditional acidic or alkali salt forms of sulfonated monomers. Second, sulfonated polymers with substituted ammonium counterions are useful polymers for obtaining unique material properties, such as organo-gelation of low polarity solvents or obtaining ionic liquid polymers for the fabrication of solid polymer electrolytes.

  20. Recent increase of ethane detected in the remote atmosphere of the Northern Hemisphere

    NASA Astrophysics Data System (ADS)

    Franco, Bruno; Bader, Whitney; Bovy, Benoît; Mahieu, Emmanuel; Fischer, Emily V.; Strong, Kimberly; Conway, Stephanie; Hannigan, James W.; Nussbaumer, Eric; Bernath, Peter F.; Boone, Chris D.; Walker, Kaley A.

    2015-04-01

    Ethane (C2H6) has a large impact on tropospheric composition and air quality because of its involvement in the global VOC (volatile organic compound) - HOx - NOx chemistry responsible for generating and destroying tropospheric ozone. By acting as a major sink for tropospheric OH radicals, the abundance of C2H6 influences the atmospheric content of carbon monoxide and impacts the lifetime of methane. Moreover, it is an important source of PAN, a thermally unstable reservoir for NOx radicals. On a global scale, the main sources of C2H6 are leakage from the production, transport of natural gas loss, biofuel consumption and biomass burning, mainly located in the Northern Hemisphere. Due to its relatively long lifetime of approximately two months, C2H6 is a sensitive indicator of tropospheric pollution and transport. Using an optimized retrieval strategy (see Franco et al., 2014), we present here a 20-year long-term time series of C2H6 column abundance retrieved from ground-based Fourier Transform InfraRed (FTIR) solar spectra recorded from 1994 onwards at the high-altitude station of Jungfraujoch (Swiss Alps, 46.5° N, 3580 m a.s.l.), part of the Network for the Detection of Atmospheric Composition Change (NDACC, see http://www.ndacc.org). After a regular 1994 - 2008 decrease of the C2H6 amounts, which is very consistent with prior major studies (e.g., Aydin et al., 2011; Simpson et al., 2012) and our understanding of global C2H6 emissions, trend analysis using a bootstrap resampling tool reveals a C2H6 upturn and a statistically-significant sharp burden increase from 2009 onwards (Franco et al., 2014). We hypothesize that this observed recent increase in C2H6 could affect the whole Northern Hemisphere and may be related to the recent massive growth in the exploitation of shale gas and tight oil reservoirs. This hypothesis is supported by measurements derived from solar occultation observations performed since 2004 by the Atmospheric Chemistry Experiment - Fourier

  1. 40 CFR 417.140 - Applicability; description of the neutralization of sulfuric acid esters and sulfonic acids...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... neutralization of sulfuric acid esters and sulfonic acids subcategory. 417.140 Section 417.140 Protection of... MANUFACTURING POINT SOURCE CATEGORY Neutralization of Sulfuric Acid Esters and Sulfonic Acids Subcategory § 417.140 Applicability; description of the neutralization of sulfuric acid esters and sulfonic...

  2. 40 CFR 417.140 - Applicability; description of the neutralization of sulfuric acid esters and sulfonic acids...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... neutralization of sulfuric acid esters and sulfonic acids subcategory. 417.140 Section 417.140 Protection of... MANUFACTURING POINT SOURCE CATEGORY Neutralization of Sulfuric Acid Esters and Sulfonic Acids Subcategory § 417.140 Applicability; description of the neutralization of sulfuric acid esters and sulfonic...

  3. 40 CFR 417.140 - Applicability; description of the neutralization of sulfuric acid esters and sulfonic acids...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... neutralization of sulfuric acid esters and sulfonic acids subcategory. 417.140 Section 417.140 Protection of... MANUFACTURING POINT SOURCE CATEGORY Neutralization of Sulfuric Acid Esters and Sulfonic Acids Subcategory § 417.140 Applicability; description of the neutralization of sulfuric acid esters and sulfonic...

  4. 40 CFR 417.140 - Applicability; description of the neutralization of sulfuric acid esters and sulfonic acids...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... neutralization of sulfuric acid esters and sulfonic acids subcategory. 417.140 Section 417.140 Protection of... MANUFACTURING POINT SOURCE CATEGORY Neutralization of Sulfuric Acid Esters and Sulfonic Acids Subcategory § 417.140 Applicability; description of the neutralization of sulfuric acid esters and sulfonic...

  5. 40 CFR 417.140 - Applicability; description of the neutralization of sulfuric acid esters and sulfonic acids...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... neutralization of sulfuric acid esters and sulfonic acids subcategory. 417.140 Section 417.140 Protection of... MANUFACTURING POINT SOURCE CATEGORY Neutralization of Sulfuric Acid Esters and Sulfonic Acids Subcategory § 417.140 Applicability; description of the neutralization of sulfuric acid esters and sulfonic...

  6. Coupling hydrogen separation with butanone hydrogenation in an electrochemical hydrogen pump with sulfonated poly (phthalazinone ether sulfone ketone) membrane

    NASA Astrophysics Data System (ADS)

    Huang, Shiqi; Wang, Tao; Wu, Xuemei; Xiao, Wu; Yu, Miao; Chen, Wei; Zhang, Fengxiang; He, Gaohong

    2016-09-01

    This work reports the novel work of coupling H2/CO2 separation with biomass-derived butanone hydrogenation in non-fluorinated sulfonated poly (phthalazinone ether sulfone ketone) (SPPESK) electrochemical hydrogen pump (EHP) reactor. Due to higher resistance to swelling, SPPESK-based EHP reactor exhibits more excellent reaction rate in elevated temperature (60 °C) and higher butanone concentration (2 M) as 270, 260 nmol cm-2 s-1, respectively, higher than 240, 200 nmol cm-2 s-1of Nafion-based EHP reactors. Also, the SPPESK-based EHP reactor remains 90% of initial hydrogenation rate after 4 batches, better than that of Nafion-based EHP reactors, which is only 62%. The energy efficiency of EHP separator reaches 40% under H2/CO2 mixture feed mode, and electricity of about 0.3 kWh is consumed per Nm3 H2 product, being superior to energy consumption compared with alternative processes like PSA and electrolysis of water. In addition, SPPESK-based EHP exhibits better hydrogenation stability due to lower CO2 permeation than Nafion. With increasing CO2 content in H2 feed, hydrogenation rate almost keeps constant at around 210 nmol cm-2 s-1 in SPPESK-based EHP reactor while decreases fast to 50 nmol cm-2 s-1 in Nafion/PTFE-based EHP reactor. These results show integration of gas separation with hydrogenation reactor is feasible in SPPESK-based EHP reactor.

  7. The Global Search for Abiogenic GHGs, via Methane Isotopes and Ethane

    NASA Astrophysics Data System (ADS)

    Malina, Edward; Muller, Jan-Peter; Walton, David; Potts, Dale

    2015-04-01

    The importance of Methane as an anthropogenic Green House Gas (GHG) is well recognized in the scientific community, and is second only to Carbon Dioxide in terms of influence on the Earth's radiation budget (Parker, et al, 2011) suggesting that the ability to apportion the source of the methane (whether it is biogenic, abiogenic or thermogenic) has never been more important. It has been proposed (Etiope, 2009) that it may be possible to distinguish between a biogenic methane source (e.g. bacteria fermentation) and an abiogenic source (e.g. gas seepage or fugitive emissions) via the retrieval of the abundances of methane isotopes (12CH4 and 13CH4) and through the ratio of ethane (C2H6) to methane (CH4) concentrations. Using ultra fine spectroscopy (<0.2cm-1 spectral resolution) from Fourier Transform Spectrometers (FTS) based on the SCISAT-1 (ACE-FTS) and GOSAT (TANSO-FTS) we are developing a retrieval scheme to map global emissions of abiogenic and biogenic methane, and provide insight into how these variations in methane might drive atmospheric chemistry, focusing on the lower levels of the atmosphere. Using HiTran2012 simulations, we show that it is possible to distinguish between methane isotopes using the FTS based instruments on ACE and GOSAT, and retrieve the abundances in the Short Wave Infra-red (SWIR) at 1.65μm, 2.3μm, 3.3μm and Thermal IR, 7.8μm wavebands for methane, and the 3.3μm and 7μm wavebands for ethane. Initially we use the spectral line database HITRAN to determine the most appropriate spectral waveband to retrieve methane isotopes (and ethane) with minimal water vapour, CO2 and NO2 impact. Following this, we have evaluated the detectability of these trace gases using the more sophisticated Radiative Transfer Models (RTMs) SCIATRAN, the Oxford RFM and MODTRAN 5 in the SWIR, in order to determine the barriers to retrieving methane isotopes in both ACE (limb profile) and GOSAT (nadir measurements) instruments, including a preliminary

  8. Characterization of a microbial consortium capable of rapid and simultaneous dechlorination of 1,1,2,2-tetrachloroethane and chlorinated ethane and ethene intermediates

    USGS Publications Warehouse

    Jones, E.J.P.; Voytek, M.A.; Lorah, M.M.; Kirshtein, J.D.

    2006-01-01

    A study was carried out to develop a culture of microorganisms for bioaugmentation treatment of chlorinated-ethane contaminated groundwater at sites where dechlorination is incomplete or rates are too slow for effective remedation. Mixed cultures capable of dechlorinating chlorinated ethanes and ethenes were enriched from contaminated wetland sediment at Aberdeen Proving Ground (APG) Maryland. The West Branch Consortium (WBC-2) was capable of degrading 1,1,2,2-tetrachloroethane (TeCA), trichloroethylene (TCE), cis and trans 1,2-dichloroethylene (DCE), 1,1,2-trichloroethane (TCA), 1,2-dichloroethane, and vinyl chloride to nonchlorinated end products ethylene and ethane. WBC-2 dechlorinated TeCA, TCA, and cisDCE rapidly and simultaneously. Methanogens in the consortium were members of the class Methanomicrobia, which includes acetoclastic methanogens. The WBC-2 consortium provides opportunities for the in situ bioremediation of sites contaminated with mixtures of chlorinated ethylenes and ethanes.

  9. Photoabsorption cross sections of methane and ethane, 1380-1600 A, at T equals 295 K and T equals 200 K. [in Jupiter atmosphere

    NASA Technical Reports Server (NTRS)

    Mount, G. H.; Moos, H. W.

    1978-01-01

    Photoabsorption cross sections of methane and ethane have been determined in the wavelength range from 1380 to 1600 A at room (295 K) and dry-ice (200 K) temperatures. It is found that the room-temperature ethane data are in excellent agreement with the older measurements of Okabe and Becker (1963) rather than with more recent determinations and that a small systematic blueshift occurs at the foot of the molecular absorption edges of both gases as the gases are cooled from room temperature to 200 K, a value close to the actual temperature of the Jovian atmosphere. It is concluded that methane photoabsorption will dominate until its cross section is about 0.01 that of ethane, which occurs at about 1440 A, and that ethane should be the dominant photoabsorber in the Jovian atmosphere in the region from above 1440 A to not farther than 1575 A.

  10. Renewed methane increase (2007-2014): contribution of oil and natural gas emissions determined from methane and ethane column observations

    NASA Astrophysics Data System (ADS)

    Hausmann, Petra; Sussmann, Ralf; Smale, Dan

    2016-04-01

    Harmonized time series of column-averaged mole fractions of atmospheric methane and ethane over the period 1999-2014 are derived from solar Fourier transform infrared (FTIR) measurements at the Zugspitze summit (47° N, 2964 m a.s.l.) and at Lauder (45° S, 370 m a.s.l.). Long-term trend analysis reveals a consistent renewed methane increase since 2007 of 6.2 [5.6, 6.9] ppb yr-1 at the Zugspitze and 6.0 [5.3, 6.7] ppb yr-1 at Lauder (95 % confidence intervals). Several recent studies provide pieces of evidence that the renewed methane increase is most likely driven by two main factors: (i) increased methane emissions from tropical wetlands, followed by (ii) increased thermogenic methane emissions due to growing oil and natural gas production. Here, we quantify the magnitude of the second class of sources, using long-term measurements of atmospheric ethane as tracer for thermogenic methane emissions. In 2007, after years of weak decline, the Zugspitze ethane time series shows the sudden onset of a significant positive trend (2.3 [1.8, 2.8] × 10-2 ppb yr-1 for 2007-2014), while a negative trend persists at Lauder after 2007 (-0.4 [-0.6, -0.1] × 10-2 ppb yr-1). Zugspitze methane and ethane time series are significantly correlated for the period 2007-2014 and can be assigned to thermogenic methane emissions with an ethane-to-methane ratio of 10-21 %. We present optimized emission scenarios for 2007-2014 derived from an atmospheric two-box model. From our trend observations we infer a total ethane emission increase over the period 2007-2014 from oil and natural gas sources of 1-11 Tg yr-1 along with an overall methane emission increase of 24-45 Tg yr-1. Based on these results, the oil and natural gas emission contribution C to the renewed methane increase is deduced using three different emission scenarios with dedicated ranges of methane-to-ethane ratios (MER). Reference scenario 1 assumes an oil and gas emission combination with MER = 3.3-7.6, which results in a

  11. Preparation and characterization of Ni-Zr-O nanoparticles and its catalytic behavior for ethane oxidative dehydrogenation

    NASA Astrophysics Data System (ADS)

    Wu, Ying; Gao, Jing; He, Yiming; Wu, Tinghua

    2012-03-01

    Ni-Zr-O nanoparticles with various Zr contents were prepared by a modified sol-gel method and characterized by X-ray diffraction (XRD), scanning/high-resolution transmission electron microscope (SEM/HRTEM), BET surface area analysis, H2 temperature-programmed reduction (H2-TPR), X-ray photoelectron spectroscopy (XPS) and O2 temperature-programmed desorption (O2-TPD). The oxidative dehydrogenation of ethane (ODHE) to ethylene was applied to evaluate catalytic performance of the samples. The results show that the doping of Zr affected the cell parameter and the chemical environment of the catalysts, indicating the existence of strong interaction between Ni and Zr. The interaction plays an important role in the lessened reducibility and the distribution of adsorbed oxygen species, consequently influence their catalytic performance. The best yield to ethylene was obtained over the 10% Ni-Zr-O catalyst with 60% ethane conversion and 66% ethylene selectivity.

  12. Infinite dilution mutual diffusion coefficients of 1-octene and 1-tetradecane in near-critical ethane and propane

    SciTech Connect

    Noel, J.M.; Erkey, C.; Bukur, D.B.; Akgerman, A. . Chemical Engineering Dept.)

    1994-10-01

    The Fischer-Tropsch synthesis (FTS) is a method for converting synthesis gas into petroleum products such as gasoline and diesel fuel. The FTS can be carried out in the gas phase using fixed bed reactors or in the liquid phase in a slurry reactor. Effective pore diffusion is a rate-controlling phenomenon in both reactor types. The authors have utilized the Taylor dispersion technique to measure the infinite dilution mutual diffusion coefficients of 1-octene and 1-tetradecane in subcritical and supercritical ethane and in subcritical propane in the temperature range 293.15--338.15 K and the pressure range 5.52--11.03 MPa. For ethane, the measurements were done on either side of the critical temperature with the pressure above the critical pressure.

  13. A Low Temperature Eutectic Methane-Ethane Liquid: A Potential Geologic Fluid in the Outermost Solar System

    NASA Astrophysics Data System (ADS)

    Thompson, Garrett Leland; Hanley, Jennifer; Grundy, Will; Tegler, Stephen C.; Roe, Henry G.; Lindberg, Gerrick Eugene; Trilling, David E.

    2016-10-01

    Many icy bodies and moons in the solar system contain methane and ethane, including Titan, Triton, Pluto, Eris, Makemake, and likely others. The material properties of these species and their interactions with one another are still inadequately characterized. To provide insight into the behaviors of these species we conducted a series of laboratory experiments to map the liquidus line as a function of temperature and composition. The interaction of ethane and methane yields a eutectic mixture and depresses the freezing point to ~72 K, almost 20 K colder than the normal freezing points of either pure species. The eutectic composition is 64% CH4 and 36% C2H6. This phenomenon may enable geological processes involving liquids in the near surface environments of bodies once thought too cold and/or that have surface pressures too low to support liquid phases. The addition of other cosmochemically abundant species may suppress freezing points even further (see Hanley et al., this conference).

  14. Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane

    PubMed Central

    Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; Mallik, Uma Prasad

    2014-01-01

    The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro­gen to the distal ethane carbon of meth­oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol­ecules are linked by bifurcated C—H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin. PMID:25309218

  15. Use of enzyme immunoassay for large water-quality surveys of major herbicides

    SciTech Connect

    Thurman, E.M.; Aga, D.S.; Zimmerman, L.R.; Goolsby, D.A.

    1996-10-01

    Commercially available enzyme-linked immunosorbent assay (ELISA) was used for the determination of major herbicides in several large water-quality surveys of surface water, rainwater, and ground water throughout the United States. The ELISA results were compared with gas chromatography/mass spectrometry (GC/MS) for accuracy and cross reactivity. In total, five compounds were analyzed: alachlor, atrazine, cyanazine, metolachlor, and (2,4-dichlorophenoxy) acetic acid (2,4-D). Results indicated that the ELISA and GC/MS results were comparable for cyanazine and metolachlor. The atrazine ELISA correlated well with GC/MS for surface- and ground-water samples from the central United States but did not correlate with samples from Texas where the cotton triazine, prometryn, is used. Results using the alachlor ELISA were poor because of cross reactivity with the metabolite, alachlor ethane-sulfonic acid. The ELISA for (2,4-dichlorophenoxy) acetic acid was insensitive at concentrations that occur in most surface water.

  16. Characterization of nitrogen-fixing bacteria from a temperate saltmarsh lagoon, including isolates that produce ethane from acetylene.

    PubMed

    Tibbles, B J; Rawlings, D E

    1994-01-01

    Nitrogen-fixing bacteria were isolated from sediments and water of a saltmarsh lagoon on the west coast of South Africa, and characterized according to factors that regulate nitrogen fixation in the marine environment. The majority of isolates were assigned to the Photobacterium or Vibrio genera on the basis of physiological and biochemical characteristics. One isolate was further assigned to the species Vibrio diazotrophicus. Carbohydrate utilization by each diazotrophic isolate was examined. Abilities of the isolates to utilize a range of mono-, di-, and polysaccharides largely reflected the predicted availability of organic carbon and energy in the lagoon, except that chitin was not utilized. Biochemical tests on the utilization of combined nitrogen showed that one isolate could utilize nitrate, and that this strain was susceptible to full repression of nitrogenase activity by 10mM nitrate. Urease activity was not detected in any of the isolates. In the absence of molybdenum two of the isolates, a Photobacterium spp. and V. diazotrophicus, reduced acetylene to ethylene and ethane, a property frequently associated with the activity of alternative nitrogenases. Addition of 25µM molybdenum inhibited ethane production by V. diazotrophicus, but stimulated ethylene and ethane production by the Photobacterium isolate. Addition of 28µM vanadium did not appear to regulate ethane production by either strain. Assays of nitrogenase activity in sediments from which some isolates were obtained indicated that molybdenum was not limiting nitrogenase activity at naturally-occurring concentrations. Southern hybridizations of the chromosomes of these strains with the anfH and vnfH genes of Azotobacter vinelandii and the nifH gene of Klebsiella pneumoniae indicated the presence of only one nitrogenase in these isolates.

  17. Selective oxidation of ethane to acetaldehyde and acrolein over silica-supported vanadium catalysts using oxygen as oxidant

    SciTech Connect

    Zhao, Zhen; Yamada, Yusuke; Teng, Yonghong; Ueda, Atsushi; Nakagawa, Kiyoharu; Kobayashi, Tetsuhiko

    2000-03-10

    The oxidation of ethane by oxygen was studied over silica catalysts supporting different amounts of vanadium with and without cesium. Three different catalytic properties of the product selectivity were observed, aldehyde formation, oxidative dehydrogenation (ODH), and combustion, depending upon the vanadium loading amount and the presence or the absence of cesium. A very low loading of vanadium (V:Si = 0.02--0.1 at.%) and the addition of Cs (Cs:Si = 1 at.%) on silica were found to be important for the formation of aldehyde. Not only acetaldehyde but also acrolein were observed in the aldehyde formation from ethane. On the other hand, catalysts with medium and high vanadium loadings (V:Si = 0.5--20 at.%) gave a dehydrogenated product, ethene, when Cs was not added to the catalysts. The addition of cesium to the catalysts with medium and high vanadium loadings changed the catalytic property from ODH to combustion. The different types of vanadyl species were identified by UV-visible and IR measurements in samples with different vanadium loadings. It was estimated that isolated vanadyl species with tetrahedral coordination, which were found mainly on the catalysts with vanadium loading lower than 0.5 at.%, became the active site for the aldehyde formation through the interaction with Cs. As a plausible reaction path giving acrolein from ethane, cesium-catalyzed cross-condensation between acetaldehyde and formaldehyde, formed in the reaction, was proposed. Polymeric vanadyl species with octahedral coordination were detected in the samples with medium (0.5--5.0 at.%) and high (10 and 20 at.%) vanadium loadings, respectively. Both species show the ODH catalytic property without cesium, but they bring about a deep oxidation of ethane if cesium is added to the catalysts.

  18. Method of increasing enhanced oil recovery by using a novel low sulfonate phase in the polymer slug

    SciTech Connect

    Carlin, J.T.; Haferkamp, G.L.

    1987-03-10

    A process is described for enhanced hydrocarbon recovery comprising injecting into a well a surfactant fluid comprising the fraction having the highest sulfonate content which separates after settling from a mixture of water, petroleum sulfonate surfactant, solubilizer and polymer. Thereafter the remaining fraction of surfactant fluid which contains the lower sulfonate content is added to a polymer slug, injecting the polymer slug and forcing the high sulfonate content surfactant slug and subsequently the low sulfonate polymer slug through the formation and recovering the hydrocarbons.

  19. Dechlorination of 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane by Aerobacter aerogenes

    USGS Publications Warehouse

    Wedemeyer, Gary

    1967-01-01

    Whole cells or cell-free extracts of Aerobacter aerogenes catalyze the degradation of 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) in vitro to at least seven metabolites: 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE); 1,1-dichloro-2,2-bis(p-chlorophenyl)ethane (DDD); 1-chloro-2,2-bis(p-chlorophenyl)ethylene (DDMU); 1-chloro-2,2-bis(p-chlorophenyl)ethane (DDMS); unsym-bis(p-chlorophenyl)ethylene (DDNU); 2,2-bis(p-chlorophenyl)acetate (DDA); and 4,4′-dichlorobenzophenone (DBP). The use of metabolic inhibitors together with pH and temperature studies indicated that discrete enzymes are involved. By use of the technique of sequential analysis, the metabolic pathway was shown to be: DDT → DDD →DDMU →DDMS → DDNU → DDA → DBP, or DDT → DDE. Dechlorination was marginally enhanced by light-activated flavin mononucleotide.

  20. Unsaturated hydrocarbons in the lakes of Titan: Benzene solubility in liquid ethane and methane at cryogenic temperatures

    NASA Astrophysics Data System (ADS)

    Diez-y-Riega, Helena; Camejo, David; Rodriguez, Abraham E.; Manzanares, Carlos E.

    2014-09-01

    The solubility of benzene in liquid ethane has been measured using ultraviolet absorption. Spectra were recorded in the 200-1000 nm range. The secondary absorption band (1B2u) of benzene in the region 230-260 nm was recorded to determine the solubility of the sample. Ethane does not absorb in the benzene UV region but absorption bands are observed at 908 nm, 745 nm, and 634 nm corresponding to C-H vibrational overtone transitions of liquid ethane with Δυ=4, 5 and 6, respectively. Spectra were obtained at several concentrations and temperatures. The solubilities are: (26±6) ppm at 94 K, (39±6) ppm at 102 K, (48±8) ppm at 111 K, (72±10) ppm at 132 K, and (170±38) ppm at 162 K. With the solubility obtained at each temperature the enthalpy and entropy of solution were calculated from the experimental data. The spectra of solutions of benzene in liquid methane have been obtained to determine the solubility at 97 K. Thermodynamic parameters and solubility data from experimental measurements are important for more realistic simulations of the chemical composition of the lakes of Titan.

  1. The 12 micron band of ethane: A spectral catalog from 765 cm(-1) to 900 cm(-1)

    NASA Technical Reports Server (NTRS)

    Atakan, A. K.; Blass, W. E.; Brault, J. W.; Daunt, S. J.; Halsey, G. W.; Jennings, D. E.; Reuter, D. C.; Susskind, J.

    1983-01-01

    The high resolution laboratory absorption spectrum of the 12 micro band of ethane gas is studied. The data were obtained using the McMath Solar Telescope 1 meter Fourier Transform interferometer at Kitt Peak National Observatory and tunable diode laser spectrometers at the University of Tennessee and NASA/Goddard Space Flight Center. Over 200 individual vibration rotation transitions were analyzed taking into account many higher order effects including torsional splitting. Line positions were reproduced to better than 0.001/cm. Both ground and upper state molecular constants were determined in the analysis. The experimental details, the analysis procedures and the results are addressed. A list of ethane transitions occurring near (14)CO2 laser lines needed for heterodyne searches for C2H6 in extraterrestrial sources is also included. A spectral catalog of the ethane nu sub g fundamental from 765/cm to 900/cm is provided. A high dispersion (1/cm 12 in.) plot of both the Kitt Peak interferometric data and a simulated spectrum with Doppler limited resolution, a table of over 8500 calculated transitions listed quantum number assignments, frequencies and intensities are provided.

  2. Fully aromatic block copolymers for fuel cell membranes with densely sulfonated nanophase domains.

    PubMed

    Takamuku, Shogo; Jannasch, Patric

    2011-03-01

    Two multiblock copoly(arylene ether sulfone)s with similar block lengths and ion exchange capacities (IECs) were prepared by a coupling reaction between a non-sulfonated precursor block and a highly sulfonated precursor block containing either fully disulfonated diarylsulfone or fully tetrasulfonated tetraaryldisulfone segments. The latter two precursor blocks were sulfonated via lithiation-sulfination reactions whereby the sulfonic acid groups were exclusively placed in ortho positions to the many sulfone bridges, giving these blocks IECs of 4.1 and 4.6 meq·g⁻¹, respectively. Copolymer membranes with IECs of 1.4 meq·g⁻¹ displayed well-connected hydrophilic nanophase domains and had decomposition temperatures at, or above, 300 °C under air. The copolymer with the tetrasulfonated tetraaryldisulfone segments showed a proton conductivity of 0.13 S·cm⁻¹ at 80 °C under fully humidified conditions, and surpassed that of a perfluorosulfonic acid membrane (NRE212) by a factor of 5 at -20 °C over time.

  3. Pneumocystis carinii mutations are associated with duration of sulfa or sulfone prophylaxis exposure in AIDS patients.

    PubMed

    Kazanjian, P; Armstrong, W; Hossler, P A; Burman, W; Richardson, J; Lee, C H; Crane, L; Katz, J; Meshnick, S R

    2000-08-01

    This study was conducted to determine whether Pneumocystis carinii dyhydropteroate synthase (DHPS) gene mutations in AIDS patients with P. carinii pneumonia (PCP) are affected by duration of sulfa or sulfone prophylaxis and influence response to sulfa or sulfone therapy. The P. carinii DHPS genes from 97 AIDS patients with PCP between 1991 and 1999 from 4 medical centers were amplified, using polymerase chain reaction (PCR), and sequenced. Mutations were observed in 76% of isolates from patients exposed to sulfa or sulfone prophylaxis compared with 23% of isolates from patients not exposed (P=.001). Duration of prophylaxis increased the risk of mutations (relative risk [RR] for each exposure month, 1.06; P=.02). Twenty-eight percent of patients with mutations failed sulfa or sulfone treatment; mutations increased the risk of sulfa or sulfone treatment failure (RR, 2.1; P=0.01). Thus, an increased duration of sulfa or sulfone prophylaxis increases the chance of developing a P. carinii mutation. The majority of patients with mutations respond to sulfa or sulfone therapy.

  4. Celecoxib influences steroid sulfonation catalyzed by human recombinant sulfotransferase 2A1

    PubMed Central

    Ambadapadi, Sriram; Wang, Peter L.; Palii, Sergiu P.; James, Margaret O.

    2015-01-01

    Celecoxib has been reported to switch the human SULT2A1-catalyzed sulfonation of 17βestradiol (17β-E2) from the 3- to the 17-position. The effects of celecoxib on the sulfonation of selected steroids catalyzed by human SULT2A1 were assessed through in vitro and in silico studies. Celecoxib inhibited SULT2A1-catalyzed sulfonation of dehydroepiandrosterone (DHEA), androst-5-ene-3β, 17β-diol (AD), testosterone (T) and epitestosterone (Epi-T) in a concentration-dependent manner. Low μM concentrations of celecoxib strikingly enhanced the formation of the 17-sulfates of 6-dehydroestradiol (6D-E2), 17β-dihydroequilenin (17β-Eqn), 17β-dihydroequilin (17β-Eq), and 9-dehydroestradiol (9D-E2) as well as the overall rate of sulfonation. For 6D-E2, 9D-E2 and 17β-Eqn, celecoxib inhibited 3-sulfonation, however 3-sulfonation of 17β-Eq was stimulated at celecoxib concentrations below 40 μM. Ligand docking studies in silico suggest that celecoxib binds in the substrate-binding site of SULT2A1 in a manner that prohibits the usual binding of substrates but facilitates, for appropriately shaped substrates, a binding mode that favors 17-sulfonation. PMID:25960318

  5. A model survey meter using undoped poly (ether sulfone)

    NASA Astrophysics Data System (ADS)

    Nakamura, Hidehito; Shirakawa, Yoshiyuki; Kanayama, Masaya; Sato, Nobuhiro; Kitamura, Hisashi; Takahashi, Sentaro

    2015-04-01

    The large region surrounding the damaged Fukushima Daiichi Nuclear Power Plant has necessitated the use of numerous radiation survey meters with large, robust substrates. The survey meters require efficient scintillation materials that do not require doping and have dimensional stability, such as poly (ether sulfone) (PES) resins. Here, we demonstrate the performance of a model survey meter that uses large PES plates with polished, mirrored surfaces and rough, scattering surfaces. Light collection efficiencies from plates having one or more of these surfaces were quantitatively Characterised with 36Cl-, 60Co-, 137Cs-radioactive sources. The count rates of plates having a combination of mirrored/scattering-surfaces are >1.6 times that for plates having two mirrored surfaces. In addition, a significant amount of radiation-induced light generated in the PES is trapped inside the plate because of its relatively high refractive index. The results indicate that large, undoped PES plates can be used in radiation survey meters.

  6. Kinetic mechanism of plasma recombination in methane, ethane and propane after high-voltage nanosecond discharge

    NASA Astrophysics Data System (ADS)

    Anokhin, E. M.; Popov, M. A.; Kochetov, I. V.; Starikovskiy, A. Yu; Aleksandrov, N. L.

    2016-08-01

    The results of the experimental and numerical study of high-voltage nanosecond discharge afterglow in pure methane, ethane and propane are presented for room temperature and pressures from 2 to 20 Torr. Time-resolved electron density during the plasma decay was measured with a microwave interferometer for initial electron densities in the range between 5  ×  1010 and 3  ×  1012 cm‑3 and the effective recombination coefficients were obtained. Measured effective recombination coefficients increased with gas pressure and were much higher than the recombination coefficients for simple molecular hydrocarbon ions. The properties of plasma in the discharge afterglow were numerically simulated by solving the balance equations for charged particles and electron temperature. Calculations showed that electrons had time to thermalize prior to the recombination. The measured data were interpreted under the assumption that cluster hydrocarbon ions are formed during the plasma decay that is controlled by the dissociative electron recombination with these ions at electron room temperature. Based on the analysis of the experimental data, the rates of three-body formation of cluster ions and recombination coefficients for these ions were estimated.

  7. Production of Ethane, Ethylene, and Acetylene from Halogenated Hydrocarbons by Methanogenic Bacteria

    PubMed Central

    Belay, Negash; Daniels, Lacy

    1987-01-01

    Several methanogenic bacteria were shown to produce ethane, ethylene, and acetylene when exposed to the halogenated hydrocarbons bromoethane, dibromo- or dichloroethane, and 1,2-dibromoethylene, respectively. They also produced ethylene when exposed to the coenzyme M analog and specific methanogenic inhibitor bromoethanesulfonic acid. The production of these gases from halogenated hydrocarbons has a variety of implications concerning microbial ecology, agriculture, and toxic waste treatment. All halogenated aliphatic compounds tested were inhibitory to methanogens. Methanococcus thermolithotrophicus, Methanococcus deltae, and Methanobacterium thermoautotrophicum ΔH and Marburg were completely inhibited by 7 μM 1,2-dibromoethane and, to various degrees, by 51 to 1,084 μM 1,2-dichloroethane, 1,2-dibromoethylene, 1,2-dichloroethylene, and trichloroethylene. In general, the brominated compounds were more inhibitory. The two Methanococcus species were fully inhibited by 1 μM bromoethanesulfonic acid, whereas both Methanobacterium strains were only partly inhibited by 2,124 μM. Coenzyme M protected cells from bromoethanesulfonic acid but not from any of the other inhibitors. PMID:16347389

  8. Kinetic and Thermodynamic Investigation of Hydrogen Release from Ethane 1,2-di-amineborane

    SciTech Connect

    Neiner, Doinita; Karkamkar, Abhijeet J.; Bowden, Mark; Choi, Young Joon; Luedtke, Avery T.; Holladay, Jamelyn D.; Fisher, Allison M.; Szymczak, Nathaniel; Autrey, Thomas

    2011-07-18

    The thermodynamics and kinetics of hydrogen (H2) release from ethane 1,2-di-amineborane (EDAB, BH3NH2CH2CH2NH2BH3) were measured using Calvet and differential scanning calorimetry (DSC), pressure-composition isotherms, and volumetric gas-burette experiments. The results presented here indicate that EDAB releases ~ 9 wt.% H2 at temperatures ranging from 100 °C to 200 °C in two moderately exothermic steps, approximately -10±1 kJ/mol H2 and -3.8±1 kJ/mol H2. Isothermal kinetic analysis shows that EDAB is more stable than ammonia borane (AB) at temperatures lower than 100°C; however, the rates of hydrogen release are faster for EDAB than for AB at temperatures higher than 120°C. In addition, no volatile impurities in the H2 released by EDAB were detected by mass spectrometry upon heating with 1°C/min to 200°C in a calorimeter.

  9. Efficient purification of ethene by an ethane-trapping metal-organic framework

    NASA Astrophysics Data System (ADS)

    Liao, Pei-Qin; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2015-10-01

    Separating ethene (C2H4) from ethane (C2H6) is of paramount importance and difficulty. Here we show that C2H4 can be efficiently purified by trapping the inert C2H6 in a judiciously designed metal-organic framework. Under ambient conditions, passing a typical cracked gas mixture (15:1 C2H4/C2H6) through 1 litre of this C2H6 selective adsorbent directly produces 56 litres of C2H4 with 99.95%+ purity (required by the C2H4 polymerization reactor) at the outlet, with a single breakthrough operation, while other C2H6 selective materials can only produce ca. <= litre, and conventional C2H4 selective adsorbents require at least four adsorption-desorption cycles to achieve the same C2H4 purity. Single-crystal X-ray diffraction and computational simulation studies showed that the exceptional C2H6 selectivity arises from the proper positioning of multiple electronegative and electropositive functional groups on the ultramicroporous pore surface, which form multiple C-H...N hydrogen bonds with C2H6 instead of the more polar competitor C2H4.

  10. Thermodynamic investigation of thin films of ethane adsorbed on magnesium oxide.

    PubMed

    Arnold, Thomas; Cook, Richard E; Larese, J Z

    2005-05-12

    The layering properties of ethane on MgO(100) were measured between 91 and 144 K using high-resolution adsorption isotherms. In contrast to previous studies, the results demonstrate that only three layers are formed. The thermodynamic functions derived from the data (isosteric heat, differential enthalpy, and entropy of adsorption) compare well with literature values and show a steady trend toward the bulk properties as the number of layers increased. Phase transitions for two of the layers were identified by monitoring the changes in the two-dimensional isothermal compressibility as a function of chemical potential. Both of these phase transitions occur at approximately 127 K and within 1 K of each other. Through the use of neutron diffraction, it is possible to identify at least one solid surface phase that melts at approximately 75 K. The transition at 127 K is therefore a transition between a liquidlike phase and a hyper-critical fluid. A comparison is made between the present data and our recent study of methane on MgO. PMID:16852045

  11. Development and composition of a mixed culture for bioremediation of chlorinated ethenes and ethanes

    USGS Publications Warehouse

    Jones, E.J.P.; Voytek, M.A.; Lorah, M.M.

    2005-01-01

    Microbial organisms capable of dechlorinating 1,1,2,2 tetrachloroethane (TeCA) and its chlorinated ethane and ethylene daughter products were enriched in surface sediments collected from the West Branch Canal Creek wetland area, leading to the formation of two mixed cultures using slightly different enrichment methods. Both WBC-1 and WBC-2 were capable of rapid and complete reductive dechlorination of TeCA and its daughter products (1,1,2-trichloroethane, 1,2-dichloroethane, trichloroethylene, 1,2-dichloroethylene, and vinyl chloride) to ethylene, and addition of either culture to wetland sediment and to engineered peat/compost mixtures resulted in significant enhancement of dechlorination. However, the WBC-2 culture supported better sustained activity and was more readily scaled up for application in bioaugmentation treatments, whereas dechlorination activity was gradually lost in WBC-1. The microbial composition of WBC-1 and WBC-2 were determined by cloning and sequencing 500 base pairs of the 16S rDNA gene and the methyl co-reductase. Methanogens identified in the consortia were members of the Order Methanomicrobiales, which includes acetoclastic methanogens. This is an abstract of a paper presented at the Proceedings of the 8th International In Situ and On-Site Bioremediation Symposium (Baltimore, MD 6/6-9/2005).

  12. Modeling the tissue solubilities and metabolic rate constant (V max) of halogenated methanes, ethanes, and ethylenes

    SciTech Connect

    Gargas, M.L.; Seybold, P.G.; Andersen, M.E.

    1988-01-01

    Experimental solvent:air and tissue:air partition coefficients for 25 halogenated methanes, ethanes, and ethylenes in saline solution; olive oil; and rat blood, muscle, liver, and fat tissues were examined using theoretical molecular modeling techniques. The metabolic rate constant, V/sub max/, was also investigated by these techniques for 19 chlorinated compounds in this group. Two graph theoretical approaches (the distance method of Wiener and the connectivity index method of Randic, Kier, and Hall) and an approach utilizing ad hoc molecular descriptors were employed. Satisfactory regression models for solubility were obtained with both the Randic-Kier-Hall approach and the ad hoc descriptors approach. Fluorine substituents decrease tissue solubilities, whereas both chlorine and bromine substituents increase tissue solubilities, with the relative influence being chlorine

  13. Kinetic mechanism of plasma recombination in methane, ethane and propane after high-voltage nanosecond discharge

    NASA Astrophysics Data System (ADS)

    Anokhin, E. M.; Popov, M. A.; Kochetov, I. V.; Starikovskiy, A. Yu; Aleksandrov, N. L.

    2016-08-01

    The results of the experimental and numerical study of high-voltage nanosecond discharge afterglow in pure methane, ethane and propane are presented for room temperature and pressures from 2 to 20 Torr. Time-resolved electron density during the plasma decay was measured with a microwave interferometer for initial electron densities in the range between 5  ×  1010 and 3  ×  1012 cm-3 and the effective recombination coefficients were obtained. Measured effective recombination coefficients increased with gas pressure and were much higher than the recombination coefficients for simple molecular hydrocarbon ions. The properties of plasma in the discharge afterglow were numerically simulated by solving the balance equations for charged particles and electron temperature. Calculations showed that electrons had time to thermalize prior to the recombination. The measured data were interpreted under the assumption that cluster hydrocarbon ions are formed during the plasma decay that is controlled by the dissociative electron recombination with these ions at electron room temperature. Based on the analysis of the experimental data, the rates of three-body formation of cluster ions and recombination coefficients for these ions were estimated.

  14. Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: Thiolated gold nanoparticles in ethane

    SciTech Connect

    Jabes, B. Shadrack; Yadav, Hari O. S.; Chakravarty, Charusita; Kumar, Sanat K.

    2014-10-21

    Fluctuations within the ligand shell of a nanoparticle give rise to a significant degree of anisotropy in effective pair interactions for low grafting densities [B. Bozorgui, D. Meng, S. K. Kumar, C. Chakravarty, and A. Cacciuto, Nano Lett. 13, 2732 (2013)]. Here, we examine the corresponding fluctuation-driven anisotropy for gold nanocrystals densely passivated with short ligands. In particular, we consider gold nanocrystals capped by alkylthiols, both in vacuum and in ethane solvent at high density. As in the preceding study, we show that the anisotropy in the nanoparticle pair potential can be quantified by an angle-dependent correction term to the isotropic potential of mean force (PMF). We find that the anisotropy of the ligand shells is distance dependent, and strongly influenced by ligand interdigitation effects as well as expulsion of ligand chains from the interparticle region at short distances. Such fluctuation-driven anisotropy can be significant for alkylthiol-coated gold nanoparticles, specially for longer chain lengths, under good solvent conditions. The consequences of such anisotropy for self-assembly, specially as a function of grafting density, solvent quality and at interfaces, should provide some interesting insights in future work. Our results clearly show that an isotropic two-body PMF cannot adequately describe the thermodynamics and assembly behavior of nanoparticles in this dense grafting regime and inclusion of anisotropic effects, as well as possibly many-body interactions, is necessary. Extensions of this approach to other passivated nanoparticle systems and implications for self-assembly are considered.

  15. Direct effects of ethane dimethanesulphonate on epididymal function in adult rats. An in vitro demonstration

    SciTech Connect

    Klinefelter, G.L.; Roberts, N.L.; Suarez, J.D.

    1992-01-01

    It was recently demonstrated that the Leydig cell toxicant ethane dimethanesulphonate (EDS) produces multiple effects on the epididymis after a single in vivo exposure. To determine whether any of the perturbations were mediated by a direct action of the compound, we used a novel system for the coculture of epididymal epithelial cells and sperm from the caput epididymidis. This system maintains the morphologic integrity and cell polarity of the epididymal epithelial cells before and during coculture, and the sperm recovered after coculture have intact plasma and acrosomal membranes. In addition, several functions required for epididymal sperm maturation are expressed, including the secretion of protein by the epididymal epithelium, the association of secreted protein with the plasma membrane of cocultured sperm, and the acquisition of progressive motility by cocultured sperm. In vitro exposure of epididymal epithelial cells and sperm to EDS results in a significant decline in protein secretion by the epithelial cells during coculture, and in particular, a dose-dependent decline in a 36- to 38-kd protein (PI 4.0 to 4.5) and a 34- to 36-kd protein (PI 4.5 to 5.0). Moreover, these and other proteins are not recovered from the sperm membrane of cocultured sperm after EDS treatment. Finally, EDS results in a dose-dependent decline in the percentage of both motile and progressively motile sperm recovered after coculture compared with that of sperm from untreated cocultures.

  16. Recent increase of ethane detected in the remote atmosphere of the Northern Hemisphere

    NASA Astrophysics Data System (ADS)

    Franco, Bruno; Bader, Whitney; Bovy, Benoît; Mahieu, Emmanuel; Fischer, Emily V.; Strong, Kimberly; Conway, Stephanie; Hannigan, James W.; Nussbaumer, Eric; Bernath, Peter F.; Boone, Chris D.; Walker, Kaley A.

    2015-04-01

    Ethane (C2H6) has a large impact on tropospheric composition and air quality because of its involvement in the global VOC (volatile organic compound) - HOx - NOx chemistry responsible for generating and destroying tropospheric ozone. By acting as a major sink for tropospheric OH radicals, the abundance of C2H6 influences the atmospheric content of carbon monoxide and impacts the lifetime of methane. Moreover, it is an important source of PAN, a thermally unstable reservoir for NOx radicals. On a global scale, the main sources of C2H6 are leakage from the production, transport of natural gas loss, biofuel consumption and biomass burning, mainly located in the Northern Hemisphere. Due to its relatively long lifetime of approximately two months, C2H6 is a sensitive indicator of tropospheric pollution and transport. Using an optimized retrieval strategy (see Franco et al., 2014), we present here a 20-year long-term time series of C2H6 column abundance retrieved from ground-based Fourier Transform InfraRed (FTIR) solar spectra recorded from 1994 onwards at the high-altitude station of Jungfraujoch (Swiss Alps, 46.5° N, 3580 m a.s.l.), part of the Network for the Detection of Atmospheric Composition Change (NDACC, see http://www.ndacc.org). After a regular 1994 - 2008 decrease of the C2H6 amounts, which is very consistent with prior major studies (e.g., Aydin et al., 2011; Simpson et al., 2012) and our understanding of global C2H6 emissions, trend analysis using a bootstrap resampling tool reveals a C2H6 upturn and a statistically-significant sharp burden increase from 2009 onwards (Franco et al., 2014). We hypothesize that this observed recent increase in C2H6 could affect the whole Northern Hemisphere and may be related to the recent massive growth in the exploitation of shale gas and tight oil reservoirs. This hypothesis is supported by measurements derived from solar occultation observations performed since 2004 by the Atmospheric Chemistry Experiment - Fourier

  17. Hydrogen scrambling in ethane induced by intense laser fields: statistical analysis of coincidence events.

    PubMed

    Kanya, Reika; Kudou, Tatsuya; Schirmel, Nora; Miura, Shun; Weitzel, Karl-Michael; Hoshina, Kennosuke; Yamanouchi, Kaoru

    2012-05-28

    Two-body Coulomb explosion processes of ethane (CH(3)CH(3)) and its isotopomers (CD(3)CD(3) and CH(3)CD(3)) induced by an intense laser field (800 nm, 1.0 × 10(14) W/cm(2)) with three different pulse durations (40 fs, 80 fs, and 120 fs) are investigated by a coincidence momentum imaging method. On the basis of statistical treatment of the coincidence data, the contributions from false coincidence events are estimated and the relative yields of the decomposition pathways are determined with sufficiently small uncertainties. The branching ratios of the two body decomposition pathways of CH(3)CD(3) from which triatomic hydrogen molecular ions (H(3)(+), H(2)D(+), HD(2)(+), D(3)(+)) are ejected show that protons and deuterons within CH(3)CD(3) are scrambled almost statistically prior to the ejection of a triatomic hydrogen molecular ion. The branching ratios were estimated by statistical Rice-Ramsperger-Kassel-Marcus calculations by assuming a transition state with a hindered-rotation of a diatomic hydrogen moiety. The hydrogen scrambling dynamics followed by the two body decomposition processes are discussed also by using the anisotropies in the ejection directions of the fragment ions and the kinetic energy distribution of the two body decomposition pathways.

  18. Efficient purification of ethene by an ethane-trapping metal-organic framework

    PubMed Central

    Liao, Pei-Qin; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2015-01-01

    Separating ethene (C2H4) from ethane (C2H6) is of paramount importance and difficulty. Here we show that C2H4 can be efficiently purified by trapping the inert C2H6 in a judiciously designed metal-organic framework. Under ambient conditions, passing a typical cracked gas mixture (15:1 C2H4/C2H6) through 1 litre of this C2H6 selective adsorbent directly produces 56 litres of C2H4 with 99.95%+ purity (required by the C2H4 polymerization reactor) at the outlet, with a single breakthrough operation, while other C2H6 selective materials can only produce ca. ⩽ litre, and conventional C2H4 selective adsorbents require at least four adsorption–desorption cycles to achieve the same C2H4 purity. Single-crystal X-ray diffraction and computational simulation studies showed that the exceptional C2H6 selectivity arises from the proper positioning of multiple electronegative and electropositive functional groups on the ultramicroporous pore surface, which form multiple C–H···N hydrogen bonds with C2H6 instead of the more polar competitor C2H4. PMID:26510376

  19. A theoretical view on CrO2+-mediated C-H bond activation in ethane

    NASA Astrophysics Data System (ADS)

    Tong, YongChun; Zhang, XiaoYong; Wang, QingYun; Xu, XinJian; Wang, YongCheng

    2015-06-01

    The gas-phase reaction of C-H bond activation in ethane by CrO2+ has been investigated using density functional theory (DFT) at the UB3LYP/6-311G(2d,p) level. Our results reveal that the activation process is actually a spin-forbidden reaction. The involved crossing point between the doublet and quartet potential energy surfaces (PES) has been discussed by two well-known methods, i.e., intrinsic reaction coordinate (IRC) approach for crossing point (CP) and Harvey's algorithm for minimum energy crossing point (MECP). The obtained single ( P1ISC = 2.48 × 10-3) and double ( P1ISC = 4.95 × 10-3) passes estimated at MECP show that the intersystem crossing (ISC) occurs with a little probability. The C-H bond activation processes should proceed to be endothermic by 73.16 kJ/mol on the doublet surface without any spin change.

  20. Synthesis and physical properties of highly sulfonated polyaniline. Technical report

    SciTech Connect

    Wei, X.L.; Bobeczko, C.; Epstein, A.J.

    1996-03-01

    Sulfonated polyaniline (EB-SPAN) is a self-doped conducting polymer. It has a high water solubility and a novel pH-dependent DC conductivity that is of interest for fundamental science and also for applications in such areas as rechargeable battery and pH control technologies. The authors report here the extensive characterization and details of synthesis of a new form of sulfonated polyaniline (LEB-SPAN) which shows novel or significantly improved chemical and physical properties. LEB-SPAN has a much high sulfur to nitrogen ratio (S/N) of N approx. 0.75, 50% larger than that previously reported for EB-SPAN, S/N approx. 0.50. This change in composition leads to significant alteration of the properties including an order of magnitude increase in the room temperature DC conductivity to approx. 1 S./cm, nearly double the solubility in water, and a completely different pH-dependence of the oxidation potential (E1/2). For LEB-SPAN the DC conductivity is unaffected by pH over the range 0 < or = pH < or = 14, strikingly different from the behavior of both parent polyaniline and EB-SPAN which become insulating for pH > or = 3 and pH > or = 7.5; respectively. Temperature-dependent DC conductivity and EPR measurements for LEB-SPAN reveal a lower activation energy for the conductivity and a higher density of states at the Fermi energy as compared with EB-SPAN. The dramatic differences in the pH-dependence of the DC conductivity, cyclic voltammetry (CV), FTIR, and UV-Vis results for LEB-SPAN and EB-SPAN are shown to be a consequence of the much higher S/N ratio in LEB-SPAN.

  1. Design, fabrication and evaluation of intelligent sulfone-selective polybenzimidazole nanofibers.

    PubMed

    Ogunlaja, Adeniyi S; du Sautoy, Carol; Torto, Nelson; Tshentu, Zenixole R

    2014-08-01

    Molecularly imprinted polybenzimidazole nanofibers fabricated for the adsorption of oxidized organosulfur compounds are presented. The imprinted polymers exhibited better selectivity for their target model sulfone-containing compounds with adsorption capacities of 28.5±0.4mg g(-1), 29.8±2.2mg g(-1) and 20.1±1.4mg g(-1) observed for benzothiophene sulfone (BTO2), dibenzothiophene sulfone (DBTO2) and 4,6-dimethyldibenzothiophene sulfone (4,6-DMDBTO2) respectively. Molecular modeling based upon the density functional theory (DFT) indicated that hydrogen bond interactions may take place between sulfone oxygen groups with NH groups of the PBI. Further DFT also confirmed the feasibility of π-π interactions between the benzimidazole rings and the aromatic sulfone compounds. The adsorption mode followed the Freundlich (multi-layered) adsorption isotherm which indicated possible sulfone-sulfone interactions. A home-made pressurized hot water extraction (PHWE) system was employed for the extraction/desorption of sulfone compounds within imprinted nanofibers at 1mL min(-1), 150°C and 30 bar. PHWE used a green solvent (water) and achieved better extraction yields compared to the Soxhlet extraction process. The application of molecularly imprinted polybenzimidazole (PBI) nanofibers displayed excellent sulfur removal, with sulfur in fuel after adsorption falling below the determined limit of detection (LOD), which is 2.4mg L(-1)S, and with a sulfur adsorption capacity of 5.3±0.4mg g(-1) observed for application in the fuel matrix.

  2. Catalytic conjugate additions of geminal bis(sulfone)s: expanding the chemistry of sulfones as simple alkyl anion equivalents.

    PubMed

    Landa, Aitor; Puente, Angel; Santos, J Ignacio; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio

    2009-11-01

    The value of cyclic gem-bis(sulfone) 4 as a simple alkyl nucleophile equivalent in catalytic C-C bond-forming reactions is demonstrated. The 1,4-type nucleophilic additions of bis(sulfone) 4 to alpha,beta-unsaturated ketones take place by assistance of catalytic guanidine base. On the other hand, pyrrolidines are able to catalyze the conjugate addition of 4 to both enones and enals, likely by means of iminium ion activation. Upon exploration of the best chiral pyrrolidine catalyst, it has been found that the addition of 4 to enals catalyzed by diphenylprolinol silyl ether 10 proceeds with very high enantioselectivity (beta-aryl-substituted enals >95% ee; beta-alkyl substituted enals up to 94% ee; ee = enantiomeric excess). Further reductive desulfonation of adducts gives rise to the corresponding beta-methyl aldehydes, as well as the derived alcohols, acetals, and methyl esters after simple (Mg, MeOH) well-established protocols. Application of the procedure to the synthesis of biologically relevant phenethyl building blocks is shown. Most interestingly, alpha-alkylation of initially obtained bis(sulfone) adducts can be done even with less reactive alkylating reagents, such as long linear-chain or branched-chain alkyl halides. Accordingly, upon the desulfonation process, a general, experimentally simple and highly enantioselective access to beta-branched aldehydes, alcohols, or esters is possible. Further exploration of the method includes the use of chiral alpha,beta-unsaturated aldehydes derived from citronellal as the Michael acceptor partners. In these instances, the sense of the conjugate addition of 4 is controlled by the chirality of the pyrrolidine catalyst, thus allowing for a stereochemically predictable access to 1,3-dimethyl arrays, such as those present in deoxygenated polyketide-type natural products. The intramolecular variation of this technology by using doubly unsaturated aldehyde-ester 22 illustrated the site selectivity of the procedure and its

  3. Surface adsorption of sulfonated poly(phenylene sulfone)/C14TAB mixtures and its correlation with foam film stability.

    PubMed

    Uhlig, Martin; Miller, Reinhard; Klitzing, Regine von

    2016-07-21

    Polyelectrolyte/surfactant mixtures of rigid monosulfonated poly(phenylene sulfone) (sPSO2-220) and tetradecyl trimethylammonium bromide (C14TAB) were investigated by surface tension, surface elasticity and foam film stability measurements. The results were compared to former measurements of polyelectrolyte/surfactant mixtures containing more flexible polyelectrolytes (PAMPS or PSS and C14TAB). For all polyelectrolyte/surfactant mixtures an increased surface adsorption in comparison to the pure surfactant was detected. Moreover, sPSO2-220/C14TAB mixtures showed a much higher surface activity and foam film stability than mixtures with more flexible polyelectrolytes. The results presented give insight into the surface adsorption and foam film formation of rigid polyelectrolyte/surfactant mixtures. Therefore, this study helps to understand the role of polyelectrolyte backbone rigidity in the formation and stabilization of foam films made from polyelectrolyte/surfactant mixtures.

  4. Method of increasing enhanced oil recovery by using a higher sulfonate phase obtained on polymer addition

    SciTech Connect

    Carlin, J.T.

    1987-01-13

    A process is described for enhanced hydrocarbon recovery comprising: dissolving a polymer from the group consisting of polyacrylamides and polysaccharides in a surfactant flood fluid resulting from mixing water, petroleum sulfonate-containing surfactant and solubilizer; allowing the mixture to separate; using the fraction with the highest sulfonate content as a surfactant fluid; forcing the fluid through the formation and recovering the hydrocarbons, wherein the proportion of the sulfonate-containing surfactant, solubilizer and polymer is about 0.5% to 20.0% of total solute by weight of petroleum sulfonate surfactant, about 0.1% to about 5% by weight of a solubilizer and about 0.1% to 10% by weight of polymer.

  5. Morphology and Proton Transport in Sulfonated Block Copolymer and Mesoporous Polymer Electrolyte Membranes

    NASA Astrophysics Data System (ADS)

    Chen, Chelsea; Wong, David; Beers, Keith; Balsara, Nitash

    2013-03-01

    In an effort to understand the fundamentals of proton transport in polymer electrolyte membranes (PEMs), we have developed a series of poly(styrene-b-ethylene-b-styrene) (SES) membranes. The SES membranes were subsequently sulfonated to yield proton conducting S-SES membranes. We examine the effects of sulfonation level, temperature and thermal history on the morphology of S-SES membranes in both dry and hydrated states. The effects of these parameters on water uptake and proton transport characteristics of the membranes are also examined. Furthermore, building upon the strategy we deployed in sulfonating the SES membranes, we fabricated mesoporous S-SES membranes, with pores lined up with the proton conducting channels. These membranes have three distinct phases: structural block, proton-conducting block, and void. We examine the effects of pore size, domain structure and sulfonation level on water uptake and proton conductivity of the mesoporous PEMs at different temperatures. This work is funded by Department of Energy.

  6. Titania-based molecularly imprinted polymer for sulfonic acid dyes prepared by sol-gel method.

    PubMed

    Li, Man; Li, Rong; Tan, Jin; Jiang, Zi-Tao

    2013-03-30

    A novel titania-based molecularly imprinted polymer (MIP) was synthesized through sol-gel process with sunset yellow (Sun) as template, without use of functional monomer. MIP was used as a solid-phase extraction material for the isolation and enrichment of sulfonic acid dyes in beverages. The results showed that MIP exhibited better selectivity, higher recovery and adsorption capacity for the sulfonic acid dyes compared to the non-imprinted polymer (NIP). MIP presented highest extraction selectivity to Sun when pH less than or equal to 3. The adsorption capacity was 485.9 mg g(-1), which was larger than that of NIP (384.7 mg g(-1)). The better clean-up ability demonstrated the capability of MIP for the isolation and enrichment of sulfonic acid dyes in complicated food samples. The mean recoveries for the sulfonic acid dyes on MIP were from 81.9% to 97.2% in spiked soft drink.

  7. EFFECTS OF PRENATAL PERFLUOROOCTANE SULFONATE (PFOS) EXPOSURE ON LUNG MATURATION IN THE PERINATAL RAT

    EPA Science Inventory

    Background: Perfluorooctane sulfonate (PFOS), found widely in wildlife and humans, is environmentally and metabolically stable. Environmental PFOS may be from its use as a surfactant, hydrolysis of perfluorooctanesulfonyl fluoride, and degradation of N-alkyl-perfluorooctanesulfon...

  8. Preparation of a sulfonated carbonaceous material from lignosulfonate and its usefulness as an esterification catalyst.

    PubMed

    Lee, Duckhee

    2013-07-10

    Sulfonated carbonaceous material useful as a solid acid catalyst was prepared from lignosulfonate, a waste of the paper-making industry sulfite pulping process, and characterized by 13C-NMR, FT-IR, TGA, SEM and elemental analysis, etc. The sulfonic acid group density and total density of all acid groups in the sulfonated carbonaceous material was determined by titration to be 1.24 mmol/g and 5.90 mmol/g, respectively. Its catalytic activity in the esterification of cyclohexanecarboxylic acid with anhydrous ethanol was shown to be comparable to that of the ionic exchange resin Amberlyst-15, when they were used in the same amount. In the meantime, the sulfonic acid group was found to be leached out by 26%-29% after it was exposed to hot water (95 °C) for 5 h. The catalytic usefulness of the prepared carbonaceous material was investigated by performing esterifications.

  9. Effective catalytic conversion of cellulose into high yields of methyl glucosides over sulfonated carbon based catalyst.

    PubMed

    Dora, Sambha; Bhaskar, Thallada; Singh, Rawel; Naik, Desavath Viswanatha; Adhikari, Dilip Kumar

    2012-09-01

    An amorphous carbon based catalyst was prepared by sulfonation of the bio-char obtained from fast pyrolysis (N(2) atm; ≈ 550°C) of biomass. The sulfonated carbon catalyst contained high acidity of 6.28 mmol/g as determined by temperature programmed desorption of ammonia of sulfonated carbon catalyst and exhibited high catalytic performance for the hydrolysis of cellulose. Amorphous carbon based catalyst containing -SO(3)H groups was successfully tested and the complete conversion of cellulose in methanol at moderate temperatures with high yields ca. ≥ 90% of α, β-methyl glucosides in short reaction times was achieved. The methyl glucosides formed in methanol are more stable for further conversion than the products formed in water. The carbon catalyst was demonstrated to be stable for five cycles with slight loss in catalytic activity. The utilization of bio-char as a sulfonated carbon catalyst provides a green and efficient process for cellulose conversion. PMID:22776237

  10. Magnetite-supported sulfonic acid: a retrievable nanocatalyst for the Ritter reaction and multicomponent reactions

    EPA Science Inventory

    Magnetite-sulfonic acid (NanocatFe-OSO3H), prepared by wet-impregnation method, serves as a magnetically retrievable sustainable catalyst for the Ritter reaction which can be used in several reaction cycles without any loss of activity.

  11. Synthesis and characterizations of electrospun sulfonated poly (ether ether ketone) SPEEK nanofiber membrane

    NASA Astrophysics Data System (ADS)

    Hasbullah, N.; Sekak, K. A.; Ibrahim, I.

    2016-07-01

    A novel electrospun polymer electrolyte membrane (PEM) based on Sulfonated Poly (ether ether ketone) were prepared and characterized. The poly (ether ether ketone) PEEK was sulfonated using concentrated sulfuric acid at room temperature for 60 hours reaction time. The degree sulfonation (DS) of the SPEEK are 58% was determined by H1 NMR using area under the peak of the hydrogen shielding at aromatic ring of the SPEEK. Then, the functional group of the SPEEK was determined using Fourier transfer infrared (FTIR) showed O-H vibration at 3433 cm-1 of the sulfonated group (SO2-OH). The effect of the solvent and polymer concentration toward the electrospinning process was investigated which, the DMAc has electrospun ability compared to the DMSO. While, at 20 wt.% of the polymer concentration able to form a fine and uniform nanofiber, this was confirmed by FESEM that shown electrospun fiber mat SPEEK surface at nano scale diameter.

  12. Effect of sulfonation and diethanolamine addition on the mechanical and physicochemical properties of SEPS copolymer

    NASA Astrophysics Data System (ADS)

    Patiño, D.; Correa, E.; Acevedo-Morantes, M.

    2016-02-01

    Modification techniques have been developed to achieve changes in the processing of polymers, and modification of their mechanical, thermal and morphological properties, as well as their hydrophobicity and conductivity. Sulfonation improves ion conductivity, antistatic behaviour, hydrophilicity and solubility of the polymers. These characteristics are related to the presence of sulfonic groups in the polymer matrix. This research project focuses on the evaluation of mechanical, physical and chemical properties of membranes that are based on a sulfonated Styrene-Ethylene-Propylene-Styrene (SEPS) copolymer. The membranes were functionalized with diethanolamine at 5, 15 and 30% w/w, to separate carbon dioxide. FTIR and XRD analyses were used to characterize the membranes. The sulfonated-loaded membrane with 15% of diethanolamine showed the best results in each characterization.

  13. Anhydrous state proton and lithium ion conducting solid polymer electrolytes based on sulfonated bisphenol-A-poly(arylene ethers)

    NASA Astrophysics Data System (ADS)

    Guha Thakurta, Soma

    Sulfonated polymer based solid polymer electrolytes (SPEs) have received considerable interest in recent years because of their wide variety of applications particularly in fuel cells, batteries, supercapacitors, and electrochromic devices. The present research was focused on three interrelated subtopics. First, two different bisphenol-A-poly(arylene ethers), polyetherimide (PEI) and polysulfone (PSU) were sulfonated by a post sulfonation method to various degrees of sulfonation, and their thermal and mechanical properties were examined. The effects of poly(arylene ether) chemical structure, reaction time, concentration, and types of sulfonating agents on sulfonation reaction were investigated. It was found that deactivation of bisphenol A unit caused by the electron withdrawing imide, retarded the sulfonation of PEI compared to PSU. Sulfonation conducted with a high concentration of sulfonating agent and/or prolonged reaction time exhibited evidence of degradation at the isopropylidene unit. The degradation occurred through the same mechanistic pathway with the two different sulfonating agents, chlorosulfonic acid (CSA) and trimethylsilyl chlorosulfonate (TMSCS). The degradation was faster with CSA than its silyl ester, TMSCS, and was evident even at low acid concentration. Second, novel anhydrous proton conducting solid polymer electrolytes (SPEs) were prepared by the incorporation of 1H-1,2,4-triazole (Taz) as a proton solvent in sulfonated polyetherimide (SPEI) matrix. The size, shape, and state of dispersion (crystal morphology) of triazole crystals in SPEI were examined as a function of degree of sulfonation and triazole concentration. Increasing sulfonic acid content caused reduction of triazole crystallite size, hence the depression of melting temperature and their uniform distribution throughout the sulfonated polymer matrix. The increased rate of structure diffusion within the smaller size crystals due to the improved molecular mobility contributed

  14. Quantification of Methane and Ethane Emissions from the San Juan Basin

    NASA Astrophysics Data System (ADS)

    Smith, M. L.; Kort, E. A.; Karion, A.; Sweeney, C.; Gvakharia, A.

    2015-12-01

    Methane (CH4), a potent greenhouse gas, and the primary component of natural gas, is emitted from areas of high fossil fuel production and processing. Recently, persistent and large methane emissions (~0.59 Tg yr-1) from the four corners area of the United States have been identified using satellite (SCIAMACHY) observations taken over the years 2003 to 2009. These emissions appear to be the largest CH4 anomaly (positive deviation above background values) in the contiguous U.S., and exceed bottom-up inventory estimates for the area by 1.8 to 3.5 times. The majority of emissions sources expected to contribute to this anomalous CH4 signal are located in the San Juan basin of New Mexico, and include harvesting and processing of natural gas, coal, and coalbed CH4. The magnitude of CH4 emissions from the San Juan basin have not yet been directly quantified using airborne measurements. Additionally, changing fossil fuel-related activities in the basin may have altered the magnitude of CH4 emissions compared to estimates derived from 2003-2009 satellite measurements. Here, we present in-situ airborne observations of CH4 over the San Juan basin, which allow tight quantification of CH4 fluxes using the mass balance method. Observations over the basin were taken for multiple wind directions on multiple days in April, 2015 to obtain a robust estimate of CH4 emissions. The flux of ethane (C2H6), the second most abundant component of natural gas and a tracer species indicative of fossil-derived CH4, was also quantified. Substantial C2H6 emissions may affect regional air quality and chemistry through its influence on tropospheric ozone production.

  15. Prediction of equilibrium distributions of isotopologues for methane, ethane and propane using density functional theory

    NASA Astrophysics Data System (ADS)

    Piasecki, Alison; Sessions, Alex; Peterson, Brian; Eiler, John

    2016-10-01

    Many previous studies have examined abundances of deuterium (D) and 13C within small organic molecules. Recent advances in analytical instrumentation add the abilities to measure site-specific and multiply substituted isotopologues of natural organics. Here we perform first-principles calculations of the equilibrium distributions of 13C and D in the volatile alkanes (including both single and multiple substitutions), as a guide to the interpretation of current measurements and as a basis for anticipating isotope effects that might be examined with future analytical techniques. The models we present illustrate several common themes of the isotopic structures of the small alkanes, including; temperature dependent enrichment of clumped isotope species, with amplitudes in the order D-D > 13C-D > 13C-13C; similarity in strength of such clumped isotope effects between different molecules (e.g., 13C-D clumping is ∼5‰ enriched at 300 K in methane, ethane and propane); a ∼10× contrast between the amplitudes of stronger adjacent substitution of two heavy isotopes vs. weaker non-adjacent substitution; temperature-dependent site-specific fractionation of D and 13C into interior positions of molecules relative to terminal methyl groups; and a relatively simple additive effect to the overall amplitude of enrichment when clumped and site specific effects combine in the same isotopologue. We suggest that the most promising tools suggested by our results are isotopic thermometers based on site-specific distribution of deuterium, which exhibits strong (∼100‰), highly temperature dependent fractionation between methyl groups and methylene carbon positions in propane (and likely other larger n-alkanes).

  16. Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics.

    PubMed

    Cao, Xiaoxiao; Huang, Yingying; Li, Wenbo; Zheng, Zhaoyang; Jiang, Xue; Su, Yan; Zhao, Jijun; Liu, Changling

    2016-01-28

    Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework. Understanding the phase stability and formation conditions of natural gas hydrates is crucial for their future exploitation and applications and requires an accurate description of intermolecular interactions. Previous ab initio calculations on gas hydrates were mainly limited by the cluster models, whereas the phase diagram and equilibrium conditions of hydrate formation were usually investigated using the thermodynamic models or empirical molecular simulations. For the first time, we construct the chemical potential phase diagrams of type II clathrate hydrates encapsulated with methane/ethane/propane guest molecules using first-principles thermodynamics. We find that the partially occupied structures (136H2O·1CH4, 136H2O·16CH4, 136H2O·20CH4, 136H2O·1C2H6, and 136H2O·1C3H8) and fully occupied structures (136H2O·24CH4, 136H2O·8C2H6, and 136H2O·8C3H8) are thermodynamically favorable under given pressure-temperature (p-T) conditions. The theoretically predicted equilibrium pressures for pure CH4, C2H6 and C3H8 hydrates at the phase transition point are consistent with the experimental data. These results provide valuable guidance for establishing the relationship between the accurate description of intermolecular noncovalent interactions and the p-T equilibrium conditions of clathrate hydrates and other molecular crystals.

  17. Lethality due to uranium poisoning is prevented by ethane-1-hydroxy-1,1-biphosphonate (EHBP)

    SciTech Connect

    Ubios, A.M.; Braun, E.M.; Cabrini, R.L.

    1994-05-01

    The processes of uranium extraction purification, and manufacture involve the risk of chemical intoxication. Acute uranium poisoning elicits renal failure which in turn may lead to death. Great efforts have been put into the search for a protective agent for acute uranium poisoning. Several chelating agents such as EDTA, Tiron, DTPA, or aminosalicylic acid have been experimentally assayed. However, even when these agents are able to reduce the mortality none of them achieve 100% survival. We herein present the use of ethane-1-hydroxy-1,1-biphosphonate (EHBP) to prevent mortality due to uranium poisoning. Rats weighing 14 g were employed in two different experiments: (A) The surviving animals were killed on the 60th day, and (B) The animals were killed on the 9th day. In both experiments 4 groups were considered: (1) untreated control; (2) one intraperitoneal (IP) injection of uranyl nitrate (2 mg kg{sup -1} of body weight); (3) 1 IP injection of EHBP (10 mg kg{sup -1} of body weight); and (4) treatments 2 and 3 combined. In both experiments 50% of the animals in group 2 died on the eighth day. All the animals of the other groups were alive at the end of the experiment. Histological analysis of the kidneys of the animals of experiment B revealed renal damage in the exposed animals, whereas no structural alterations were detected in the kidneys of the other three groups, including those given uranyl nitrate and treated with EHBP. These results show the efficiency of only one injection of EHBP to avoid renal damage and to counteract the mortality due to uranium poisoning with a success rate of 100%. 15 refs., 5 figs., 1 tab.

  18. Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics.

    PubMed

    Cao, Xiaoxiao; Huang, Yingying; Li, Wenbo; Zheng, Zhaoyang; Jiang, Xue; Su, Yan; Zhao, Jijun; Liu, Changling

    2016-01-28

    Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework. Understanding the phase stability and formation conditions of natural gas hydrates is crucial for their future exploitation and applications and requires an accurate description of intermolecular interactions. Previous ab initio calculations on gas hydrates were mainly limited by the cluster models, whereas the phase diagram and equilibrium conditions of hydrate formation were usually investigated using the thermodynamic models or empirical molecular simulations. For the first time, we construct the chemical potential phase diagrams of type II clathrate hydrates encapsulated with methane/ethane/propane guest molecules using first-principles thermodynamics. We find that the partially occupied structures (136H2O·1CH4, 136H2O·16CH4, 136H2O·20CH4, 136H2O·1C2H6, and 136H2O·1C3H8) and fully occupied structures (136H2O·24CH4, 136H2O·8C2H6, and 136H2O·8C3H8) are thermodynamically favorable under given pressure-temperature (p-T) conditions. The theoretically predicted equilibrium pressures for pure CH4, C2H6 and C3H8 hydrates at the phase transition point are consistent with the experimental data. These results provide valuable guidance for establishing the relationship between the accurate description of intermolecular noncovalent interactions and the p-T equilibrium conditions of clathrate hydrates and other molecular crystals. PMID:26745181

  19. The high-resolution FTR spectrum of ethane between 3170 and 3430 cm-1

    NASA Astrophysics Data System (ADS)

    Lattanzi, Franca; di Lauro, Carlo

    2016-04-01

    The high resolution FTIR spectrum of ethane has been reinvestigated in the region near 3 μm, where three perpendicular and one parallel infrared active bands are found. The main perpendicular band is ν4 + ν10. It is shown that the perpendicular partners of the combinations ν4 + 2ν8 and ν4 + 2ν11 are coupled with each other in such a way that only one resultant mode can interact effectively with ν4 + ν10, becoming detectable by intensity stealing. The third perpendicular band is found to be the hot (2ν4 + ν10) - ν4, lying at about 33 cm-1 below the cold ν4 + ν10, because of the strong anharmonicity of the torsional mode ν4, and then well separated cold and hot transitions occur in this region. It is suggested that they could be exploited in the temperature monitoring in atmospheric and planetary spectra. The complexity and the irregular rotation-torsion structure makes an analysis of this perpendicular system not practicable, but a considerable body of new line assignments, especially for the hot transitions, have been found. We have been able to analyze the parallel band, in spite of the anomalous torsional structure, and some peculiar torsional effects show that the vibrational upper state must be the infrared active ν2 + ν9 + ν12(A2u). A total of 304 transitions of this active parallel band were fitted with a rms deviation of 0.0097 cm-1 to derive band parameters, and interacting parameters from the perturbers 3ν4 + ν11∓1 + ν12∓1 and ν11±1 + ν9∓1 + ν12±1 / ν11±1 + ν9±1 + ν12∓1 .

  20. Immature rat Leydig cells are intrinsically less sensitive than adult Leydig cells to ethane dimethanesulfonate.

    PubMed

    Kelce, W R; Zirkin, B R; Ewing, L L

    1991-11-01

    Leydig cells from immature rat testes appear to be insensitive to doses of ethane-1,2-dimethanesulfonate (EDS) which eliminate Leydig cells from adult rat testes. We sought to determine whether this differential response to EDS is intrinsic to the Leydig cell or mediated by other intra- or extratesticular differences between adult and immature rats. To differentiate among these possibilities, Leydig cells were exposed to EDS (1) in vivo, (2) through in vitro testicular perfusion, or (3) in highly purified Leydig cell primary cultures. Four days after ip injections of 85 mg EDS/kg body wt Leydig cells were eliminated from testes of adult, but not immature rats. Total androgen production by testes perfused in vitro with 94 micrograms EDS/ml was dramatically reduced in adult, but not immature rats. Highly purified adult, but not immature, rat Leydig cells were far more sensitive to the effects of EDS on luteinizing hormone-stimulated androgen production (functional effects; apparent EC50 = 94 for adult and 407 micrograms/ml for immature rat Leydig cells) and on [35S]methionine incorporation (cytotoxic effects; apparent EC50 = 140 for adult and 1000 micrograms/ml for immature rat Leydig cells). Finally, the in vitro effects of EDS were both cell type and chemical specific. Since the differential response of adult and immature rat Leydig cells to EDS was manifest in vivo, during in vitro testicular perfusion, and in highly purified Leydig cell primary cultures, we conclude that immature rat Leydig cells are intrinsically less sensitive to the specific cytotoxic effects of EDS than adult rat Leydig cells.