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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, 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...

  4. 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...

  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. 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...

  7. 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...

  8. 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...

  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. Degradation of alachlor in natural and sludge-amended soils, studied by gas and liquid chromatography coupled to mass spectrometry (GC-MS and HPLC-MS).

    PubMed

    Rodríguez-Cruz, Sonia; Lacorte, Silvia

    2005-11-30

    Alachlor [2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide] is an herbicide used worldwide. The relative rates of disappearance of alachlor, the formation kinetics of alachlor ethane sulfonic acid (ESA), and the formation of other degradation products in two different soils (a soil with natural organic matter and a sludge-amended soil) has been studied. For such a purpose, soil samples were spiked with alachlor at 2.5 mg kg(-1), concentration generally applied in agricultural soils, and were submitted to sunlight, simulating natural field conditions. Extracts were analyzed by GC-MS and HPLC-MS in scan mode. A good correlation was observed between both techniques, and HPLC-MS allowed the determination of two eluting peaks corresponding to the two stereoisomeric forms of alachlor ESA. Degradation of alachlor in the two soils followed first-order kinetics. Half-life in the natural soil was 4.2 +/- 0.1 days, and half-life in the sludge-amended soil was 5.8 +/- 0.8 days. The higher half-life observed in the sludge-amended soil was attributed to the higher sorption of alachlor to this soil compared to the natural soil. The degradation of alachlor in both soils gave rise to the production of alachlor ESA. Its concentration increased during the incubation period, and after 27 days, its concentration was about 0.59 mg kg(-1) in the natural soil and 0.37 mg kg(-1) in the sludge-amended soil. The other two alachlor transformation products were identified using GC-MS, and the abundance of these degradation products increased while alachlor was degraded.

  12. 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.

  13. 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

  14. The solubility of ethane, propane, and carbon dioxide in aqueous solutions of sodium cumene sulfonate.

    PubMed

    King, A D

    2004-05-01

    Measurements have been made to determine the solubilities of ethane, C2H6, propane, C3H8, and carbon dioxide, CO2, in aqueous solutions of sodium cumene sulfonate (NaCS) at 25 degrees C. The solubilities measured for each gas satisfy Henry's law at all concentrations of NaCS. The solubilities of C2H6 and C3H8 exhibit quite similar behavior with respect to added NaCS. The solubilities of these two gases are very low in pure water and are found to be nearly independent of NaCS concentration over a concentration range of 0-0.4 mol NaCS/kg H2O. At intermediate concentrations of NaCS, the solubilities of C2H6 and C3H8 exhibit a gradual increase with added NaCS concentrations ranging from 0.4 to 2.0 mol NaCS/kg H2O. At NaCS concentrations greater than 2.0 mol NaCS/kg H2O, the solubilities of these two gases increase with added NaCS in an approximately linear manner, with the solubility of C3H8 increasing more rapidly than that for C2H6 (by a factor of approximately 2.5). CO2 is much more soluble in pure water than the hydrocarbon gases and exhibits markedly different behavior with respect to added NaCS. The solubility of CO2 decreases with added NaCS over a concentration range of 0-0.9 mol NaCS/kg H2O, passes through a minimum at a concentration of approximately 1.0 mol NaCS/kg H2O, and then increases with added NaCS at higher NaCS concentrations in a manner similar to that observed with C2H6 and C3H8. The trends in solubility observed for these three gases dissolved in aqueous solutions of NaCS resemble those found previously with aqueous solutions of ordinary surfactants. The solubility data measured for these three gases can be interpreted surprisingly well in terms of the mass-action model for micellization, in which salting-out effects due to monomer salt ions suppress gas solubility at low NaCS concentrations and gas solubilization by small micelles of NaCS acts to enhance gas solubility at the higher NaCS concentrations.

  15. Ethane 1,2-dimethane sulfonate effects on the testis of the lizard, Podarcis s. sicula Raf: morphological and hormonal changes.

    PubMed

    Minucci, S; Fasano, S; Marmorino, C; Chieffi, P; Pierantoni, R

    1995-03-01

    Ethane 1,2-dimethane sulfonate (EDS) destroys Leydig cells in the testis of some rodents (mice excluded), disrupts interstitial and germinal compartments in the frog, Rana esculenta, while it stimulates testicular activity in the teleost, Gobius paganellus. In the Japanese quail the toxin removes mature spermatozoa. There is no information on EDS effects in reptiles. The present study examines the effect of EDS treatment in the lizard Podarcis s. sicula Raf during two different periods of the testicular cycle (winter stasis and breeding season). Animals received a single EDS injection (100 mg/kg body wt) and were sacrificed at 0 and 24 hr and 3, 5, 7, 11, and 28 days after injection. Androgens were measured in plasma and right testes, while left testes were examined histologically. Plasma androgen levels decreased 5-7 days after EDS injection, alongside interstitial tissue destruction and mast cell appearance, with slight but significant increases on Days 11 and 28. Testicular androgen levels did not change. On Day 11 metaphases were present in the interstitial tissue which regenerated on Day 28. Between Days 5 and 7 some pycnotic nuclei of spermatocytes appeared, mitotic activity of spermatogonia was normal, but germ cell stages were disorganized and empty spaces appeared at the boundary of the tubule. These data show that a single EDS injection results in destruction and repopulation of the interstitial cells in a reptile. Moreover, the effects of EDS in the lizard suggest that P. s. sicula Raf testis responds to the toxin in a similar fashion to the rat testis.

  16. Improving alachlor biodegradability by ferrate oxidation.

    PubMed

    Zhu, Jian-Hang; Yan, Xi-Luan; Liu, Ye; Zhang, Bao

    2006-07-31

    Alachlor can be recalcitrant when present at high concentrations in wastewater. Ferrate oxidation was used as a pretreatment to improve its biodegradability and was evaluated by monitoring alachlor elimination and removal of COD(Cr) (chemical oxygen demand determined by potassium dichromate) during the oxidation process up to a value compatible with biological treatment. Ferrate oxidation resulted in elimination of alachlor followed by degradation of its intermediates. High pH suppressed alachlor removal and COD(Cr) removal due to the low redox potential of ferrate ions. Although alachlor can be totally eliminated within 10 min under optimized conditions (alachlor, 40 mg l(-1); ferrate:alachlor molar ratio, 2; and pH 7.0), its complete mineralization cannot be achieved by ferrate oxidation alone. Alachlor solution treated by ferrate for 10 min inhibited an up-flow biotreatment with activated sludge. The biodegradability of ferrate-pretreated solution improved when the treatment was increased to 20 min, at the point of which BOD(5)/COD(Cr) ratio of the treated solution was increased to 0.87 from 0.35 after 10 min treatment. Under optimized conditions, ferrate oxidation for 20 min resulted in total elimination of alachlor, partial removal of COD(Cr) and the ferrate-treated solution could be effectively treated by the up-flow activated sludge process.

  17. 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

  18. 40 CFR 180.249 - Alachlor; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., calculated as alachlor in or on the following raw agricultural commodities. Commodity Parts per million Beans, dry 0.1 Beans, succulent lima 0.1 Cattle, fat 0.02 Cattle, meat byproducts 0.02 Cattle, meat 0.02...

  19. 40 CFR 180.249 - Alachlor; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ..., calculated as alachlor in or on the following raw agricultural commodities. Commodity Parts per million Beans, dry 0.1 Beans, succulent lima 0.1 Cattle, fat 0.02 Cattle, meat byproducts 0.02 Cattle, meat 0.02...

  20. 40 CFR 180.249 - Alachlor; tolerances for residues.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ..., calculated as alachlor in or on the following raw agricultural commodities. Commodity Parts per million Beans, dry 0.1 Beans, succulent lima 0.1 Cattle, fat 0.02 Cattle, meat byproducts 0.02 Cattle, meat 0.02...

  1. 40 CFR 180.249 - Alachlor; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ..., calculated as alachlor in or on the following raw agricultural commodities. Commodity Parts per million Beans, dry 0.1 Beans, succulent lima 0.1 Cattle, fat 0.02 Cattle, meat byproducts 0.02 Cattle, meat 0.02...

  2. 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

  3. 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.

  4. 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...

  5. Biodegradation of the acetanilide herbicides alachlor, metolachlor, and propachlor.

    PubMed

    Stamper, D M; Tuovinen, O H

    1998-01-01

    Alachlor, metolachlor, and propachlor are detoxified in biological systems by the formation of glutathione-acetanilide conjugates. This conjugation is mediated by glutathione-S-transferase, which is present in microorganisms, plants, and mammals. Other organic sulfides and inorganic sulfide also react through a nucleophilic attack on the 2-chloro group of acetanilide herbicides, but the products are only partially characterized. Sorption in soils and sediments is an important factor controlling the migration and bioavailability of these herbicides, while microbial degradation is the most important factor in determining their overall fate in the environment. The biodegradation of alachlor and metolachlor is proposed to be only partial and primarily cometabolic, and the ring cleavage seems to be slow or insignificant. Propachlor biodegradation has been reported to proceed to substantial (> 50%) mineralization of the ring structure. Reductive dechlorination may be one of the initial breakdown mechanisms under anaerobic conditions. Aerobic and anaerobic transformation products vary in their polarity and therefore in soil binding coefficient. A catabolic pathway for chloroacetanilide herbicides has not been presented in the literature because of the lack of mineralization data under defined cultural conditions.

  6. 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

  7. Ethane ocean on Titan

    NASA Technical Reports Server (NTRS)

    Lunine, J. I.; Stevenson, D. J.; Yung, Y.L.

    1983-01-01

    Voyager I radio occultation data is employed to develop a qualitative model of an ethane ocean on Titan. It is suggested that the ocean contains 25 percent CH4 and that the ocean is in dynamic equilibrium with an N2 atmosphere. Previous models of a CH4 ocean are discounted due to photolysis rates of CH4 gas. Tidal damping of Titan's orbital eccentricity is taken as evidence for an ocean layer approximately 1 km deep, with the ocean floor being covered with a solid C2H2 layer 100 to 200 m thick. The photolytic process disrupting the CH4, if the estimates of the oceanic content of CH4 are correct, could continue for at least one billion years. Verification of the model is dependent on detecting CH4 clouds in the lower atmosphere, finding C2H6 saturation in the lower troposphere, or obtaining evidence of a global ocean.

  8. 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...

  9. 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.

  10. 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.

  11. 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.

  12. Study of ethane hydrate formation kinetics using the chemical affinity model with and without presence of surfactants

    NASA Astrophysics Data System (ADS)

    Karimi, Reza; Varaminian, Farshad; Izadpanah, Amir A.

    2014-12-01

    In this article, we examine ethane hydrate formation kinetics with and without the presence of various surfactants. Firstly, the influences of stirring rate and initial pressure without the presence of surfactants are studied. The effects of four surfactants containing Sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate (SDBS), Polyoxyethylene (20) sorbitanmonopalmitate (Tween® 40), and TritonX-100 (TX-100) on ethane hydrate formation kinetics were experimentally investigated. Then the chemical affinity model is applied to model the ethane hydrate formation kinetics with and without surfactants. The kinetic parameters of the chemical affinity model were computed for the ethane hydrate formation with and without surfactants. We will see that the results of the modeling are in good agreement with the experimental data.

  13. Modulation of 2,6-dinitrotoluene genotoxicity by alachlor treatment of Fischer 344 rats.

    PubMed

    George, S E; Allison, J C; Brooks, L R; Eischen, B T; Kohan, M J; Warren, S H; King, L C

    1998-01-01

    Due to its widespread use as a preemergent herbicide, alachlor has been detected as a groundwater contaminant. The procarcinogen, 2,6-dinitrotoluene (DNT), a by-product of the munitions industry and a precursor to polyurethane production, is found in the manufacturing waste stream. This study explores the effect of alachlor treatment on the bioactivation of DNT by examining urine mutagenicity, intestinal enzymes, and hepatic DNA adducts to detect changes in metabolism. Five-week-old male rats were treated daily by gavage with 50 mg/kg of alachlor for up to 5 weeks while control animals received an equal volume of peanut oil. At 1, 3, and 5 weeks following the initial alachlor dose, animals were administered p.o. 75 mg/kg DNT or DMSO. Urine was collected for 24 hr in metabolism cages. Following incubation with sulfatase and beta-glucuronidase, urines were individually concentrated by C-18 solid phase extraction, dried under N2, and prepared for bioassay in Salmonella typhimurium strain TA98 with and without metabolic activation. Urine from peanut oil- and alachlor-treated rots was not mutagenic. Even though calf thymus DNA-alachlor adducts formed in vitro, no hepatic DNA adducts were detected in vivo in these two treatment groups. Interestingly, a significant increase in excretion of mutagenic urine from DNT-treated rats was observed following 3 weeks of alachlor treatment in the absence of S9 (690 +/- 130 vs. 339 +/- 28 revertants/ml) which corresponded to increased DNT-related hepatic DNA adduct formation (5.90 +/- 0.88 adducts/10(8) nucleotides vs. 10.56 x +/- 0.59 adducts/10(8) nucleotides [relative adduct level (RAL)]). Elevation in the production of mutagenic urine from control and treated animals was linked to increases in intestinal nitroreductase and beta-glucuronidase activities; however, the only significant alachlor-related effects were an increase in small intestinal 1-week beta-glucuronidase and 5-week dehydrochlorinase activities. The increased urine

  14. Oxidation of ethane by an Acremonium species.

    PubMed Central

    Davies, J S; Wellman, A M; Zajic, J E

    1976-01-01

    Ethane oxidation was studied in ethane-grown resting cells (mycelia) of an Acremonium sp. and in cell-free preparations of such mycelia. From resting cell experiments evidence was found for a pathway of ethane oxidation via ethanol, acetaldehyde, and acetic acid. In vitro studies indicated that ethane-oxidizing activity in such mycelia occurred predominantly in the microsomal fraction of crude homogenates. Microsomal preparations were inactive in the absence of added coenzyme. Marked stimulation of activity was obtained in such preparations with reduced nicotinamide adenine dinucleotide phosphate and to a much lesser degree with nicotinamide adenine dinucleotide phosphate. Ethane oxidation was inhibited by sodium azide and carbon monoxide. PMID:9900

  15. 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.

  16. Biodegradation of alachlor in liquid and soil cultures under variable carbon and nitrogen sources by bacterial consortium isolated from corn field soil

    PubMed Central

    2013-01-01

    Alachlor, an aniline herbicide widely used in corn production, is frequently detected in water resources. The main objectives of this research were focused on isolating bacterial consortium capable of alachlor biodegradation, assessing the effects of carbon and nitrogen sources on alachlor biodegradation and evaluating the feasibility of using bacterial consortium in soil culture. Kavar corn field soil with a long history of alachlor application in Fars province of Iran has been explored for their potential of alachlor biodegradation. The influence of different carbon compounds (glucose, sodium citrate, sucrose, starch and the combination of these compounds), the effect of nitrogen sources (ammonium nitrate and urea) and different pH (5.5-8.5) on alachlor removal efficiency by the bacterial consortium in liquid culture were investigated. After a multi-step enrichment program 100 days of acclimation, a culture with the high capability of alachlor degradation was obtained (63%). Glucose and sodium citrate had the highest alachlor reduction rate (85%). Alachlor reduction rate increased more rapidly by the addition of ammonium nitrate (94%) compare to urea. Based on the data obtained in the present study, pH of 7.5 is optimal for alachlor biodegradation. After 30 days of incubation, the percent of alachlor reduction were significantly enhanced in the inoculated soils (74%) as compared to uninoculated control soils (17.67%) at the soil moisture content of 25%. In conclusion, bioaugmentation of soil with bacterial consortium may enhance the rate of alachlor degradation in a polluted soil. PMID:23452801

  17. 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...

  18. 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]...

  19. 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]...

  20. 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]...

  1. An evaluation of the carcinogenic potential of the herbicide alachlor to man.

    PubMed

    Heydens, W F; Wilson, A G; Kier, L D; Lau, H; Thake, D C; Martens, M A

    1999-06-01

    Chronic bioassays have revealed that alachlor caused nasal, thyroid, and stomach tumours in rats but was not carcinogenic in mice. Significant increases in thyroid and stomach tumours were observed only at doses that exceeded the maximum tolerated dose (MTD). While nasal tumours were found at doses below the MTD, they were small and benign in nature. This publication describes the work undertaken by Monsanto to understand the carcinogenic mode of action of alachlor in the rat and to investigate the relevance to humans. The genetic toxicity of alachlor has been investigated in an extensive battery of in vitro and in vivo test systems. In addition, target-specific mutagenicity tests, such as the COMET assay and DNA binding in nasal tissue, were carried out to investigate any possible in-situ genotoxic action. The weight-of-evidence analysis of all available data clearly demonstrates that alachlor exerts its carcinogenicity in the rat by non-genotoxic mechanisms. In the rat, alachlor is initially metabolised primarily in the liver through the P-450 pathway and by glutathione conjugation. The glutathione conjugates and their metabolites undergo enterohepatic circulation with further metabolism in the gastrointestinal tract, liver, and then nasal tissue where they can be converted to a diethyliminoquinone metabolite (DEIQ). This electrophilic species binds to the cysteine moiety of proteins leading to cell damage and increased cell turnover. When comparisons of in vitro nasal metabolic capability were made, the rat's capacity to form DEIQ from precursor metabolites was 38 times greater than for the mouse, 30-fold higher than monkey, and 751 times greater than that of humans. This data is consistent with the results of studies showing in vivo formation of DEIQ-protein adducts in the nasal tissue of rats but not mice or monkeys. The lack of DEIQ nasal adducts in mice is consistent with the lack of nasal tumours in that species. When the differences between rat and humans

  2. Titan ocean: Ethane, methane, nitrogen

    NASA Astrophysics Data System (ADS)

    Bell, Peter M.

    Detection of the atmosphere of Saturn's satellite Titan by the Voyager I spacecraft indicated an abundance of only 3 mol % methane (CH4). Recently J.I. Lunine, D.J. Stevenson, and Y.L. Yung calculated that 3 mol % methane is sufficiently low to preclude the stable coexistence of liquid methane on Titan's surface, which has a temperature of 94 K (Science, 222, 1229, 1983). Instead, Lunine et al. suggest that Titan's atmospheric methane may have broken down by a catalyzed photochemical reaction to ethane (C2H6). The resulting ocean would consist of a mixture of C2H6 and CH4 in the proportion of 3 to 1.

  3. [Prolonged convulsion after intoxication of alachlor herbicide (Lasso): a case report].

    PubMed

    Naito, Hiromichi; Nagae, Masaharu; Okahara, Shuji; Maeyama, Hiroki; Okada, Daisuke; Hagioka, Shingo; Morimoto, Naoki

    2011-03-01

    We experienced a case of alachlor herbicide (Lasso) intoxication. A 57-year-old man was transported to our hospital by ambulance after ingesting 450 mL of Lasso. He was unconscious and had difficulty in breathing. Gastric lavage was performed after tracheal intubation and the patient was placed on mechanical ventilation. Activated charcoal and laxative were administrated. Even after admission, disturbance of consciousness persisted. He had liver and kidney disorders but these did not progress to multiple organ failure. He experienced convulsions from day 4 and was administered anticonvulsants. Convulsion was intractable and needed long-term treatment. His general condition improved until discharge. He was weaned from mechanical ventilation and recovered consciousness, but he still displayed tremors. The herbicide (Lasso) is a combination of alachlor and monochlorobenzene. Studies have shown that alachlor is neurotoxic and monochlorobenzene accumulates in the brain. In case of intoxication with the herbicide Lasso, treatment is required for ameliorating neurotoxic effects and intractable convulsion as well as liver and kidney disorders, gastrointestinal mucosal damage, hematopoietic disorder, and acute circulatory failure.

  4. 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.

  5. 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.

  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. Enhanced retention of linuron, alachlor and metalaxyl in sandy soil columns intercalated with wood barriers.

    PubMed

    Rodríguez-Cruz, M S; Ordax, J M; Arienzo, M; Sánchez-Martín, M J

    2011-03-01

    A study has been made of the effect a reactive barrier made of pine (softwood) or oak (hardwood) wood intercalated in a sandy soil column has on the retention of linuron, alachlor and metalaxyl (pesticides with contrasting physicochemical characteristics). The leaching of pesticides has been carried out under a saturated flow regime and breakthrough curves (BTCs) have been obtained at flow rates of 1 m Lmin(-1) (all pesticides) and 3 m Lmin(-1) (linuron). The cumulative curves in the unmodified soil indicate a leaching of pesticides >80% of the total amount of compound added. After barrier intercalation, linuron leaching decreases significantly and a modification of the leaching kinetics of alachlor and metalaxyl has been observed. The theoretical R factors increased ∼2.6-3.3, 1.2-1.6-fold, and 1.4-1.7-fold and the concentration of the maximum peak decreased ∼6-12-fold, 2-4-fold and 1.2-2-fold for linuron, alachlor and metalaxyl, respectively. When considering the three pesticides, significant correlations have been found between the theoretical retardation factor (R) and the pore volume corresponding to the maximum peaks of the BTCs (r=0.77; p<0.05) or the total volume leached (r=-0.78; p<0.05). The results reveal the efficacy of reactive wood barriers to decrease the leaching of pesticides from point sources of pollution depends on the type of wood, the hydrophobicity of the pesticide and the adopted water flow rate. Pine was more effective than oak in decreasing the leaching of hydrophobic pesticide linuron or in decreasing the maximum peak concentration of the less hydrophobic pesticides in soils. Efficacy of these wood barriers was limited for the least hydrophobic pesticide metalaxyl.

  8. Indirect photolysis promoted by natural and engineered wetland water constituents: processes leading to alachlor degradation.

    PubMed

    Miller, Penney L; Chin, Yu-Ping

    2005-06-15

    Wetland surface waters that received drainage from agricultural fields were probed for constituents that would promote the photodegradation of agriculture herbicides. Alachlor proved to be a good chemical probe for examining indirect photolysis due to its lack of reactivity by either direct photolysis or dark reaction pathways and its ubiquity as an agricultural herbicide. Water samples were taken from natural (Old Woman Creek) and engineered wetlands in Ohio that receive copious amounts of agricultural runoff. Possible photosensitizers including dissolved organic matter (DOM), iron, and nitrate were measured in the samples. In alkaline waters (pH > 7.8), the photochemical degradation of alachlor became important only in the presence of high nitrate levels (approximately equal to 1 mM). In pH-adjusted (approximately 4) samples, the observed degradation rate coefficient increased 3-18 times of that measured at the natural pH. Methanol quenching experiments and kinetics modeling suggest that hydroxyl radical is the principal reactant. The promotion of the reaction at the lower pH was apparently related to the activation of the photochemical pathways associated with the DOM and possibly iron-DOM complexes. The rate coefficients measured for the photodegradation of alachlor in reconstituted DOM isolates (cation-exchanged material with very low iron levels) were similar in magnitude to those measured in natural waters containing low amounts of nitrate and high amounts of DOM. Moreover, these reactions also exhibited a pH dependency. Thus, these results suggest that DOM plays a role in promoting an indirect photolytic mechanism that is highly pH dependent.

  9. 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

  10. 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.

  11. [Experimental poisoning of carp fingerlings (Cyprinus carpio L.) with the herbicidal preparation, lasagrin (alachlor)].

    PubMed

    Doĭcheva, L A

    1978-01-01

    The acute intoxication of K1 carp (Cyprinus carpio L.) with the herbicide preparation lassagrin (alachlor) was studied under experimental conditions in a laboratory. Used were a total of 360 young carps of 10 g each, measuring 9-10 cm. The experiments were carried out in 30-1 glass aquariums that were preliminary filled with water that was adequately heated and deprived of chlorine at pH = 6.9, T0C = 18-20 degrees C, O2 = 10.4 mg/1; hardness = 1.5 German degrees. The preparation was directly placed in the aquariums in eleven concentrations. The following characteristic symptoms of intoxication were established: higher irritability of the nervous system with superactivity, lack of coordination and orientation, depression in later hours, loss of sight, disturbed pigmentation. No morphologic changes were found at necropsy. Determined was the concentration at which 50% of the test material died at the 96th hour of exposure: LC50/TLm/=4.67 mg, the interval of dependability at 95% probability being 4.04-5.30. Both toxicometry data and intoxication symptoms with the use of lassagrin (alachlor, lasso) made it reasonable to believe that the preparation could be referred to poisons having resorptive action so far as carps are concerned.

  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. 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.

  14. 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

  15. 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...

  16. Ascorbate-Promoted Surface Iron Cycle for Efficient Heterogeneous Fenton Alachlor Degradation with Hematite Nanocrystals.

    PubMed

    Huang, Xiaopeng; Hou, Xiaojing; Jia, Falong; Song, Fahui; Zhao, Jincai; Zhang, Lizhi

    2017-03-15

    This study reports the H2O2 activation with different hematite nanocrystals and ascorbate ions for the herbicide alachlor degradation at pH 5. We found that hematite nanoplates (HNPs) exposed with {001} facets exhibited better catalytic performance than hematite nanocubes (HNCs) exposed with {012} facets, which was attributed to the formation of inner-sphere iron-ascorbate complexes on the hematite facets. The 3-fold undercoordination Fe cations of {001} facet favors the formation of inner-sphere iron-ascorbate complexes, while the 5-fold undercoordination Fe cations of {012} facet has stereo-hindrance effect, disfavoring the complex formation. The surface area normalized alachlor degradation rate constant (23.3 × 10(-4) min(-1) L m(-2)) of HNPs-ascorbate Fenton system was about 2.6 times that (9.1 × 10(-4) min(-1) L m(-2)) of HNCs-ascorbate counterpart. Meanwhile, the 89.0% of dechlorination and 30.0% of denitrification in the HNPs-ascorbate Fenton system were also significantly higher than those (60.9% and 13.1%) of the HNCs-ascorbate one. More importantly, the reductive dissolution of hematite by ascorbate was strongly coupled with the subsequent H2O2 decomposition by surface bound ferrous ions through surface iron cycle on the hematite facets in the hematite-ascorbate Fenton systems. This coupling could significantly inhibit the conversion of surface bound ferrous ions to dissolved ones, and thus account for the stability of hematite nanocrystals. This work sheds light on the internal relationship between iron geochemical cycling and contaminants degradation, and also inspires us to utilize surface iron cycle of widely existent hematite for environmental remediation.

  17. Airborne Ethane Observations in the Barnett Shale: Quantification of Ethane Flux and Attribution of Methane Emissions.

    PubMed

    Smith, Mackenzie L; Kort, Eric A; Karion, Anna; Sweeney, Colm; Herndon, Scott C; Yacovitch, Tara I

    2015-07-07

    We present high time resolution airborne ethane (C2H6) and methane (CH4) measurements made in March and October 2013 as part of the Barnett Coordinated Campaign over the Barnett Shale formation in Texas. Ethane fluxes are quantified using a downwind flight strategy, a first demonstration of this approach for C2H6. Additionally, ethane-to-methane emissions ratios (C2H6:CH4) of point sources were observationally determined from simultaneous airborne C2H6 and CH4 measurements during a survey flight over the source region. Distinct C2H6:CH4 × 100% molar ratios of 0.0%, 1.8%, and 9.6%, indicative of microbial, low-C2H6 fossil, and high-C2H6 fossil sources, respectively, emerged in observations over the emissions source region of the Barnett Shale. Ethane-to-methane correlations were used in conjunction with C2H6 and CH4 fluxes to quantify the fraction of CH4 emissions derived from fossil and microbial sources. On the basis of two analyses, we find 71-85% of the observed methane emissions quantified in the Barnett Shale are derived from fossil sources. The average ethane flux observed from the studied region of the Barnett Shale was 6.6 ± 0.2 × 10(3) kg hr(-1) and consistent across six days in spring and fall of 2013.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Effect of controlled release formulations of diuron and alachlor herbicides on the biochemical activity of agricultural soils.

    PubMed

    Tejada, Manuel; Morillo, Esmeralda; Gómez, Isidoro; Madrid, Fernando; Undabeytia, Tomás

    2017-01-15

    The use of pesticides in agriculture is essential because it reduces the economic losses caused by pests, improving crop yields. In spite of the growing number of studies concerning the development and application of controlled release formulations (CRFs) of pesticides in agricultural soils, there are no studies about the effects of such formulations on the biochemical properties. In this paper the dissipation of diuron and alachlor in three agricultural soils for 127days, applied either as commercial or CRFs, was determined as well as their concomitant effects on soil biochemical properties. Dehydrogenase, urease, β-glucosidase and phosphatase activities were measured thought the experimental period. The application of alachlor as CRF increases its half-life time in soils, whereas no differences were noticed between diuron formulations due to its slower degradation, which takes longer than its release from the CRF. At the end of the incubation period, the enzymatic activities were the same after the use of diuron either as commercial or CRF, recovering the soil previous status. For alachlor formulations, no differences in enzymatic activities were again observed between both formulations, but their levels in soils were enhanced. Therefore, the use of these CRFs does not adversely affect the soil biochemical properties.

  4. 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.

  5. 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.

  6. Oxidative sulfonation of benzene

    SciTech Connect

    Kashnikova, L.V.; Golodov, V.A.; Vozdvizhenskii, V.F.; Levintova, T.D.

    1988-02-10

    The oxidative sulfonation of benzene with sulfur dioxide was studied in the presence of copper(II) chloride. The relation of the reaction rate to the amount of sulfur dioxide absorbed and the relation of the initial reaction rate to the benzene concentration is shown. With rise in benzene concentration, the initial reaction rate rose linearly and the amount of SO/sub 2/ absorbed remained practically constant. A mechanism was proposed that included the stage of the successive formation of an intermediate containing Cu(II) with benzene and sulfur dioxide and its subsequent redox breakdown to the final products as a result of attack by a Cu(II) benzene complex.

  7. 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

  8. 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

  9. 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,

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. Ethane-xenon mixtures under shock conditions

    DOE PAGES

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; ...

    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

  16. 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.

  17. Ethane: A Key to Evaluating Natural Gas Industrial Emissions

    NASA Astrophysics Data System (ADS)

    Yacovitch, T. I.; Herndon, S. C.; Agnese, M.; Roscioli, J. R.; Floerchinger, C. R.; Knighton, W. B.; Pusede, S. E.; Diskin, G. S.; DiGangi, J. P.; Sachse, G. W.; Eichler, P.; Mikoviny, T.; Müller, M.; Wisthaler, A.; Conley, S. A.; Petron, G.

    2014-12-01

    Airborne and mobile-surface measurements of ethane at 1Hz in the Denver-Julesberg oil and gas production basin in NE Colorado reveal a rich set of emission sources and magnitudes. Although ethane has only a mild influence on hemispheric ozone levels, it is often co-emitted with larger hydrocarbons including hazardous air pollutants (HAPs) and ozone precursors that impact local and regional air quality. Ethane/methane enhancement ratios provide a map of expected emission source types in different areas around greater Denver. Links are drawn between the ethane content of isolated methane emission plumes and the prevalence of concomitant HAP and ozone precursor species. The efficacy of using ethane as a dilution tracer specific to the oil & gas footprint will be demonstrated.

  18. Microbial Formation of Ethane in Anoxic Estuarine Sediments

    PubMed Central

    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. PMID:16345805

  19. 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.

  20. 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...

  1. 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...

  2. 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.

  3. XPS Study of Sulfonated Polyaniline.

    DTIC Science & Technology

    1991-08-07

    WORK UMaT Arlington, VA 22203-17 14 ELEMENT NO. INO. NO. CCESSION No 11. TITLE (tinclude Security Clisification) "XPS STUDY OF SULFONATED POLYANILINE ...by block nvjmhet) FlIELD GROUP $u-GOP sulfonated polyaniline , x-ray photoelectron spectroscopy O(IPS) 19. ABSTRACT (Continue on reverse if nvessary...STUDY OF SULFONATED POLYANiLINE " by J. Yue, AJ. Epstein and A.G. MacDiarrnid Published in PMSE Preprints, (In Press 1991) University of Pennsylvania

  4. Reference Correlation for the Viscosity of Ethane

    NASA Astrophysics Data System (ADS)

    Vogel, Eckhard; Span, Roland; Herrmann, Sebastian

    2015-12-01

    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/ρc and of the reciprocal reduced temperature τ = Tc/T (ρc—critical density and Tc—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.

  5. Sulfonated guaianolides from Saussurea lappa.

    PubMed

    Wang, Fei; Xie, Zheng-Hong; Gao, Yuan; Xu, Yao; Cheng, Xue-Lian; Liu, Ji-Kai

    2008-06-01

    Two new guaiane-type sesquiterpene lactones with an unusual sulfonic acid group, sulfocostunolide A (1) and sulfocostunolide B (2), were isolated from the roots of Saussurea lappa. Their structures were elucidated on the basis of extensive spectroscopic analysis.

  6. A Search for Ethane on Pluto and Triton

    NASA Astrophysics Data System (ADS)

    DeMeo, Francesca E.; Dumas, C.; de Bergh, C.; Protopapa, S.; Cruikshank, D. P.; Geballe, T. R.; Alvarez-Candal, A.; Merlin, F.; Barucci, M. A.

    2009-09-01

    We present near-infrared spectral observations in the H and K bands (1.4-2.45 microns) of Pluto over four regions of the surface and Triton for one observation using the VLT and UKIRT. On both Pluto and Triton, a weak 2.405-micron feature is present in our spectra, which was previously detected on Pluto by Cruikshank et al. (DPS meeting abstract, 38, 21.03, 2006) and Verbiscer et al. (Lunar and Planetary Science Abstract XXXVIII - 2007) and on Triton by Cruikshank et al. (Science, 261, 742-745, 1993), Quirico et al. (Icarus, 139, 159-178, 1999) and Cruikshank et al. (Icarus, 147, 309-316, 2000). On Triton, the depth and position of this feature varies but is seen in all high-resolution, published spectra. Both ethane (C2H6) and 13CO display features at this wavelength. To assess whether unexplained absorption bands such as the 2.405 micron feature could be due to ethane, we interpret the spectral behavior if each surface using a modeling algorithm (Protopapa et al., A&A, 490, 365-375, 2008) based on the radiative transfer model of Hapke (Hapke, 1993) with three basic models: a general model without ethane, with ethane, and with ethane diluted in nitrogen. While ethane diluted in nitrogen could potentially explain the 1.69- and 1.75-micron features on Triton and pure ethane could explain the 2.405-micron feature seen on Pluto, the lack of features in the 2.27- to 2.32-micron region limits the abundance of ethane to only a few percent on each body. It is likely that 13CO contributes significantly to the 2.405-micron band, which explains why this band is stronger in spectra of both bodies than other characteristic ethane features.

  7. 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, Imma; 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.

  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. 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.

  10. 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.

  11. Stability of isoproturon, bentazone, terbuthylazine and alachlor in natural groundwater, surface water and soil water samples stored under laboratory conditions.

    PubMed

    Mouvet, C; Jeannot, R; Riolland, H; Maciag, C

    1997-09-01

    The stability of isoproturon, bentazone, terbuthylazine and alachlor was investigated in groundwater (GrW), surface water (SuW) and soil water from the unsaturated zone (SoW). Samples fortified with a low spiking level (LSL) of about 0.3-0.5 microgram/L and a high spiking level (HSL) of about 0.9-1.3 micrograms/L were stored for 1, 2, 14 (GrW) and 30 days (SuW and SoW) at 4 degrees C in amber glass bottles without biological inhibition. The initial pesticide concentration played a significant role, the lowest concentrations being the least stable for all pesticides. Nevertheless, after 14 days of storage, no concentration had decreased significantly compared to day 0 values, except for bentazone LSL in the GrW and SuW. Significant losses of alachlor were observed only after 30 days. Terbuthylazine and isoproturon were stable for 30 days, except for a slight loss of terbuthylazine HSL in the SoW. The very poor recovery of bentazone from the SoW gave poor results for interpretation. Overall, the stability of the molecules was highest in the GrW and lowest in the SoW. For SoW, the variability of triplicate determinations at a given storage time was, in some cases, as great as the changes in mean concentrations observed over the total 30 day storage period.

  12. 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.

  13. Separation of oil-soluble sulfonates from sulfonated oils

    SciTech Connect

    Ul'yanenko, V.I.; Yur'eva, N.P.; Sergeev, V.P.

    1987-01-01

    The authors aimed at developing a method for the complete recovery, from oil solutions, of oil-water-soluble sulfonates meeting the specifications, along with oils at least 99% pure, suitable for further processing. As the starting material the authors used an experimental batch of sulfonated and neutralized distillate lube stocks produced by selective solvent treatment. In determining the optimal extraction parameters, the authors investigated the influence of the solvent to original feed (S:F) weight ratio and the influence of the isopropyl alcohol (IPA) concentration on the composition of the sulfonates and oils recovered at 60/sup 0/C with a settling time of 2 h. The optimal conditions for two-stage extraction were found through a study of the influence of temperature and settling time on the compositions of the sulfonates and oils with S:F = 1.2:1 and with an IPA concentration of 40%. The process technology for two-stage recovery of oils and sulfonates from oil solutions was worked out in a pilot unit.

  14. Detection of (C-13)-ethane in Jupiter's atmosphere

    NASA Technical Reports Server (NTRS)

    Wiedemann, Guenter; Bjoraker, Gordon L.; Jennings, Donald E.

    1991-01-01

    High-resolution (C-12)- and (C-13)-ethane spectra of Jupiter were acquired with the Kitt Peak 4 m Fourier spectrometer and the Goddard postdisperser in June 1987. A relative abundance ratio (C-12/C-13) of 94 +/- 12 was derived from the measurements. This nearly terrestrial value indicates little or no fractionation of carbon isotopes when ethane is produced in the photolysis of methane in Jupiter's atmosphere.

  15. 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.

  16. Attainable superheat of ethane-methane solutions

    NASA Astrophysics Data System (ADS)

    Baidakov, V. G.; Pankov, A. S.

    2013-12-01

    Methods of measuring lifetime and continuous pressure decrease were used to study kinetics of spontaneous boiling-up of superheated ethane-methane solutions. The attainable superheats of solutions at two pressure values (1.0 and 1.6 MPa) and two concentrations of methane (2.1 and 6.0 mole %) were determined experimentally in the range of nucleation rate J = 1·104-3·108 s-1m-3. At temperatures 266.5, 270.0, and 273.15 K, the attainable stretching of the studied solutions was measured. The experimental results were compared with the theory of homogeneous nucleation. At nucleation rates J ≥ 2.5·106 s-1m-3, there is a fair agreement of the theory and experiment. The discrepancy in attainable superheat temperatures T n does not exceed 0.8 K. It is shown that significant underheating of solution to theoretical values T n at J < 2.5·106 s-1m-3 cannot be bound only with heterogeneous nucleation but is conditioned by other factors as well.

  17. 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.

  18. 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.

  19. Airborne Ethane Observations over the Barnett and Bakken Shale Formations: Quantification of Ethane Fluxes and Attribution of Methane Emissions

    NASA Astrophysics Data System (ADS)

    Smith, M. L.; Kort, E. A.; Karion, A.; Sweeney, C.; Peischl, J.; Ryerson, T. B.

    2014-12-01

    The largest emissions sources of methane, a potent greenhouse gas and the primary component of natural gas, are the fossil fuel sector and microbial processes that occur in agricultural settings, landfills, and wetlands. Attribution of methane to these different source sectors has proven difficult, as evidenced by persistent disagreement between the annual emissions estimated from atmospheric observations (top-down) and from inventories (bottom-up). Given the rapidly changing natural gas infrastructure in North America, and the implications of associated rapid changes in emissions of methane for climate, it is crucial we improve our ability to quantify and understand current and future methane emissions. Here, we present evidence that continuous in-situ airborne observations of ethane, which is a tracer for fossil fuel emissions, are a new and useful tool for attribution of methane emissions to specific source sectors. Additionally, with these new airborne observations we present the first tightly constrained ethane emissions estimates of oil and gas production fields using the well-known mass balance method. The ratios of ethane-to-methane (C2H6:CH4) of specific methane emissions sources were studied over regions of high oil and gas production from the Barnett, TX and Bakken, ND shale plays, using continuous (1Hz frequency) airborne ethane measurements paired with simultaneous methane measurements. Despite the complex mixture of sources in the Barnett region, the methane emissions were well-characterized by distinct C2H6:CH4 relationships indicative of a high-ethane fossil fuel source (e.g., "wet" gas), a low-ethane fossil fuel source (e.g., "dry" gas), and an ethane-free, or microbial source. The defined set of C2H6:CH4 that characterized the emissions input to the atmosphere was used in conjunction with the total ethane and methane fluxes to place bounds on the fraction of methane emissions attributable to each source. Additionally, substantial ethane fluxes

  20. 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.

  1. Titan's carbon budget and the case of the missing ethane.

    PubMed

    Wilson, Eric H; Atreya, Sushil K

    2009-10-22

    The retrieval of data from the Cassini-Huygens mission has revealed much about Titan's atmospheric-surface system and has precipitated more questions. One of these questions involves the lack of large reservoirs of ethane that were predicted by a variety of studies prior to the arrival of the Cassini-Huygens spacecraft. Using an updated and comprehensive photochemical model, we examine the nature of Titan's carbon budget, initiated by the destruction of methane, and the role that ethane condensation plays in this budget. Model results show that 40% of methane destruction results in ethane formation, with a net production rate of 2.7 x 10(9) molecules cm(-2) s(-1), due primarily to acetylenic catalysis in Titan's stratosphere. This corresponds to a liquid ethane layer of several hundred meters over geologic time. However, episodic methane outgassing, subsurface sequestration, and chemical processing of Titan's surface are likely responsible for the limiting of ethane condensate on Titan's surface to less than 10 m globally averaged.

  2. Modified overbased sulfonates and phenates

    SciTech Connect

    Strukl, J.S.; Watson, R.W.

    1982-05-04

    Disclosed are compositions of matter and a method for their manufacture, and lubricating oil compositions containing such compositions. The compositions of matter comprise the reaction product of basic compound comprising overbased metal sulfonate, phenate, or mixtures thereof, with acidic compound comprising organic carboxylic acid, organic carboxylic acid anhydride, phosphoric acid, phosphoric acid ester, thiophosphoric acid ester , or mixtures thereof.

  3. 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

  4. 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.

  5. 40 CFR 721.10086 - Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Ethane, 2-(difluoromethoxy)-1,1,1... Specific Chemical Substances § 721.10086 Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane,...

  6. 40 CFR 721.3248 - Ethane, 1,2,2- trichlorodifluoro-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 1,2,2- trichlorodifluoro-. 721... Substances § 721.3248 Ethane, 1,2,2- trichlorodifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 1,2,2-trichlorodifluoro- (CAS...

  7. 40 CFR 721.3248 - Ethane, 1,2,2- trichlorodifluoro-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Ethane, 1,2,2- trichlorodifluoro-. 721... Substances § 721.3248 Ethane, 1,2,2- trichlorodifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 1,2,2-trichlorodifluoro- (CAS...

  8. 40 CFR 721.10086 - Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 2-(difluoromethoxy)-1,1,1... Specific Chemical Substances § 721.10086 Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane,...

  9. 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.

  10. Theoretical CI study of the vertical electronic spectrum of ethane

    SciTech Connect

    Chantranupong, L.; Hirsch, G.; Buenker, R.J.; Dillon, M.A.

    1994-06-01

    Ab initio multireference single- and double-excitation configuration interaction (MRD-CI) calculations are reported for the ground and 32 excited electronic states of ethane, as well as its two lowest ionic states, {sup 2}E{sub g} and {sup 2}A{sub 1g}. The transition energy results indicate that the 3a{sub 1g} molecular orbital is 0.3--0.6 eV more stable than the 1e{sub g} LUMO for the ethane D{sub 3d} equilibrium conformation. The strongest transition is computed to occur for the 3a{sub 1g} {yields} 3p{sigma} {sup 1}A{sub 2u}--{sup 1}A{sub 1g} excitation at 9.933 eV, with an optical f value of 0.1152. The n = 4 Rydberg transitions are also calculated and are found to occur with roughly 40% of their n = 3 counterparts. The observed broadness of the ethane UV spectrum is believed to be caused primarily by the high density of Rydberg upper states, as well as significant relaxation effects which occur upon excitation from the ethane electronic ground state.

  11. 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.

  12. 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)

  13. 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.

  14. 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

  15. 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.

  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. Second and third virial coefficients for methane + ethane and methane + ethane + carbon dioxide at (300 and 320) K

    SciTech Connect

    Hou, H.; Holste, J.C.; Hall, K.R.; Marsh, K.N.; Gammon, B.E.

    1996-03-01

    Measurements of pVT made using the Burnett technique at (300 and 320) K are reported for methane, ethane, three x{sub 1} methane + (1 {minus} x{sub 1}) ethane mixtures with x{sub 1} = 0.30623, 0.49971, and 0.70090, and two x{sub 1} methane + x{sub 2} ethane + (1 {minus} x{sub 1} {minus} x{sub 2}) carbon dioxide mixtures with x{sub 1} = 0.32125, x{sub 2} = 0.34099 and x{sub 1} = 0.24759, x{sub 2} = 0.56013. Second virial coefficients have been calculated from these results for the pure fluids, and the binary and ternary mixtures. Cross second and third virial coefficients have been derived, including the cross third virial coefficient which describes the simultaneous unlike interaction between methane, ethane, and carbon dioxide. The experimental results were used to test an approximation to the virial equation which greatly simplifies calculations for multicomponent mixtures and which requires only experimental virial coefficients for binary mixtures. Values calculated using the model agree with experimental values within the estimated uncertainties. The results are compared with literature values, where available.

  18. 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

    ... 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. (MarkWest... new ethane pipeline system that will transport ethane from the vicinity of Majorsville, West...

  19. Effect of soil moisture on the release of alachlor from alginate-based controlled-release formulations.

    PubMed

    Nasser, Ahmed; Mingelgrin, Uri; Gerstl, Zev

    2008-02-27

    The release of alachlor from controlled-release formulations (CRFs) based on alginate-montmorillonite matrices into aqueous polyethylene glycol (PEG) solutions of different concentrations and into a soil at different moisture contents was studied. In distilled water and in PEG-containing solutions displaying -0.1 MPa potential and up, the beads imbibe water and swell. The ensuing increase in weight is about 5%, and the increase in the bead's diameter is about 10%. At water potentials of -0.5 MPa and lower, loss of weight and shrinkage of the beads were observed. The changes in weight and diameter of the alginate-clay beads incubated in a Hamra loamy sand soil at 26.5% moisture content (w/w; -0.18 MPa) were similar to those observed in PEG solutions of >-0.5 MPa moisture potential. The weight and diameter losses observed in the drier soils (12.0 and 7.1% water content; -0.49 and -1.11 MPa) were similar to those in the more concentrated PEG solutions. A decrease in the rate of release of the active ingredient from the beads into soil was observed as the water potential decreased (drier soils). The release of the active ingredient from the investigated CRFs displayed a linear relationship to the square root of time, suggesting a diffusion-controlled-release rate. Data extracted from this relationship enabled the formulation of a mathematical model that correlates rate of release to water content.

  20. 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

  1. 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.

  2. 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.

  3. Simulation of ethane steam cracking with severity evaluation

    NASA Astrophysics Data System (ADS)

    Rosli, M. N.; Aziz, N.

    2016-11-01

    Understanding the influence of operating parameters towards cracking severity is paramount in ensuring optimum operation of an ethylene plant. However, changing the parameters in an actual plant for data collection can be dangerous. Thus, a simulation model for ethane steam cracking furnace is developed using ASPEN Plus for the assessment. The process performance is evaluated with cracking severity factors and main product yields. Three severity factors are used for evaluation due to their ease of measurement, which are methane yield (Ymet), Ethylene-Ethane Ratio (EER) and Propylene-Ethylene Ratio (PER). The result shows that cracking severity is primarily influenced by reactor temperature. Operating the furnace with coil outlet temperature ranging between 850°C to 950°C and steam-to-hydrocarbon ratio of 0.3 to 0.5 has led to optimum main product yield.

  4. Adsorption of methane, ethane, and ethylene on zeolite

    SciTech Connect

    Berlier, K.; Olivier, M.G.; Jadot, R.

    1995-11-01

    Adsorption isotherms at 283 and 303 K of methane, ethane, and ethylene on zeolite G5 have been obtained. Measurements have been made at pressures up to 1,200 kPa using an automated apparatus based on the volumetric method. This study is linked to a modeling interest because of the structure simplicity of the adsorbate molecules and because of the known geometric structure of the adsorbent.

  5. 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.

  6. 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.

  7. Synthesis and characterization of sulfonated poly(ether sulfone)s containing mesonaphthobifluorene for polymer electrolyte membrane fuel cell.

    PubMed

    Lim, Youngdon; Seo, Dongwan; Lee, Soonho; Hossain, Md Awlad; Lim, Jinseong; Lee, Sangyoung; Hong, Taehoon; Kim, Whangi

    2014-10-01

    The novel sulfonated poly(ether sulfone)s containing mesonaphthobifluorene (MNF) moiety were synthesized and characterized their properties. The prepared polymers have highly conjugated aromatic structure due to the MNF group which is an allotrope of carbon and one atom thick planar sheets of sp2-bonded carbon atoms. Poly(ether sulfone)s bearing tetraphenylethylene on polymer backbone were synthesized by polycondensation and followed intra-cyclization from tetraphenylethylene to form MNF by Friedel-craft reaction with Lewis acid (FeCl3). The sulfonation was performed selectively on MNF units with conc. sulfuric acid. The structural properties of the sulfonated polymers were investigated by 1H-NMR spectroscopy. The membranes were studied by ion exchange capacity (IEC), water uptake, and proton conductivity. The synthesized polymer electrolyte membranes showed better thermal and dimensional stabilities owing to the inducted highly conjugated aromatic structure in the polymer backbone. The water uptake of the synthesized membranes ranged from 23-52%, compared with 32.13% for Nafion 211 at 80 degrees C. The synthesized membranes exhibited proton conductivities (80 degrees C, RH 90%) of 74.6-100.4 mS/cm, compared with 102.7 mS/cm for Nafion 211.

  8. 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.

  9. Extreme ultraviolet (EUV) degradation of poly(olefin sulfone)s: Towards applications as EUV photoresists

    NASA Astrophysics Data System (ADS)

    Lawrie, Kirsten; Blakey, Idriss; Blinco, James; Gronheid, Roel; Jack, Kevin; Pollentier, Ivan; Leeson, Michael J.; Younkin, Todd R.; Whittaker, Andrew K.

    2011-02-01

    Poly(olefin sulfone)s, formed by the reaction of sulfur dioxide (SO 2) and an olefin, are known to be highly susceptible to degradation by radiation and thus have been identified as candidate materials for chain scission-based extreme ultraviolet lithography (EUVL) resist materials. In order to investigate this further, the synthesis and characterisation of two poly(olefin sulfone)s namely poly(1-pentene sulfone) (PPS) and poly(2-methyl-1-pentene sulfone) (PMPS), was achieved and the two materials were evaluated for possible chain scission EUVL resist applications. It was found that both materials possess high sensitivities to EUV photons; however; the rates of outgassing were extremely high. The only observed degradation products were found to be SO 2 and the respective olefin suggesting that depolymerisation takes place under irradiation in a vacuum environment. In addition to depolymerisation, a concurrent conversion of SO 2 moieties to a sulfide phase was observed using XPS.

  10. Stratospheric ethane on Neptune - Comparison of groundbased and Voyager IRIS retrievals

    NASA Technical Reports Server (NTRS)

    Kostiuk, Theodor; Romani, Paul; Espenak, Fred; Bezard, Bruno

    1992-01-01

    Near-simultaneous ground and spacecraft measurements of 12-micron ethane emission spectra during the Voyager encounter with Neptune have furnished bases for the determination of stratospheric ethane abundance and the testing and constraining of Neptune methane-photochemistry models. The ethane retrievals were sensitive to the thermal profile used. Contribution functions for warm thermal profiles peaked at higher altitudes, as expected, with the heterodyne functions covering lower-pressure regions. Both constant- and nonconstant-with-height profiles remain candidate distributions for Neptune's stratospheric ethane.

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

    DOEpatents

    McGrath, James E [Blacksburg, VA; Park, Ho Bum [Austin, TX; Freeman, Benny D [Austin, TX

    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.

  12. 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.

  13. The identification of liquid ethane in Titan's Ontario Lacus

    USGS Publications Warehouse

    Brown, R.H.; Soderblom, L.A.; Soderblom, J.M.; Clark, R.N.; Jaumann, R.; Barnes, J.W.; Sotin, C.; Buratti, B.; Baines, K.H.; Nicholson, P.D.

    2008-01-01

    Titan was once thought to have global oceans of light hydrocarbons on its surface, but after 40 close flybys of Titan by the Cassini spacecraft, it has become clear that no such oceans exist. There are, however, features similar to terrestrial lakes and seas, and widespread evidence for fluvial erosion, presumably driven by precipitation of liquid methane from Titan's dense, nitrogen-dominated atmosphere. Here we report infrared spectroscopic data, obtained by the Visual and Infrared Mapping Spectrometer (VIMS) on board the Cassini spacecraft, that strongly indicate that ethane, probably in liquid solution with methane, nitrogen and other low-molecular-mass hydrocarbons, is contained within Titan's Ontario Lacus.

  14. Environmental analysis of higher brominated diphenyl ethers and decabromodiphenyl ethane.

    PubMed

    Kierkegaard, Amelie; Sellström, Ulla; McLachlan, Michael S

    2009-01-16

    Methods for environmental analysis of higher brominated diphenyl ethers (PBDEs), in particular decabromodiphenyl ether (BDE209), and the recently discovered environmental contaminant decabromodiphenyl ethane (deBDethane) are reviewed. The extensive literature on analysis of BDE209 has identified several critical issues, including contamination of the sample, degradation of the analyte during sample preparation and GC analysis, and the selection of appropriate detection methods and surrogate standards. The limited experience with the analysis of deBDethane suggests that there are many commonalities with BDE209. The experience garnered from the analysis of BDE209 over the last 15 years will greatly facilitate progress in the analysis of deBDethane.

  15. Sorption-desorption of alachlor and linuron in a semiarid soil as influenced by organic matter properties after 16 years of periodic inputs.

    PubMed

    Dorado, José; López-Fando, Cristina; Zancada, María-Cristina; Almendros, Gonzalo

    2005-06-29

    The effect of management practices on soil potential for regulating the residual concentration of pesticides was examined in samples from a Calcic Haploxeralf in Toledo (central Spain). Sorption-desorption of alachlor and linuron was found to depend on inputs of lignocelullosic wastes or cattle manure for the past 16 years. For a given herbicide, the soil sorption capacity (K(f)) follows the order control < crop residues < manure, which is consistent with the organic C content in the soil samples. Some structural characteristics of the soil humic acid as revealed by visible and infrared spectroscopies and analytical pyrolysis were useful to forecast the sorption-desorption intensity. Simple and multiple linear correlation analyses illustrate enhanced sorption of alachlor and linuron in soil plots where slightly altered soil organic matter accumulated (positive correlations with the intensity of infrared lignin signature band and with the methoxyphenol yields after pyrolysis of the humic acids and negative correlation with the aromaticity as pointed out by the optical density at 465 nm). Linuron showed a preference for soils with humic acids of low molecular weight and low degree of internal cross-linking, as inferred from the positive correlation with the ratio between optical densities at 465 and 665 nm. Under the conditions of the present experiment, agricultural practices including organic amendments seem to have a beneficial effect in the control of leaching and sorption of pesticides.

  16. 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.

  17. Partial ionisation cross-sections of 2-propanol and ethanal

    NASA Astrophysics Data System (ADS)

    Vacher, J. R.; Jorand, F.; Blin-Simiand, N.; Pasquiers, S.

    2006-04-01

    Electron impact ionisation of 2-propanol and ethanal is studied using mass spectrometry. Cross-sections of the formation of molecular ions and ionic fragments are measured between 14 and 86 eV. Free energy changes are evaluated using ab initio calculations. For 2-propanol, two ions, identified as CH 3CHOH + (45 amu) and CH3CHCH3+ (43 amu), contribute more than 75% to the total cross-section over the whole range of electron energies and are produced by simple bond cleavage in the molecular ion. Both processes occur spontaneously, leaving the molecular ion as a minority species. For ethanal, two ions, identified as HCO + (29 amu) and CH 3CO + (43 amu), and the molecular ion (44 amu) contribute more than 80% to the total cross-section. The ions of 29 and 43 amu result from a simple bond cleavage in the molecular ion. These sprocesses are not spontaneous and the contribution of the molecular ion becomes predominant at 15 eV and is therefore significant over the whole range of ionisation energies.

  18. The rotational barrier in ethane: a molecular orbital study.

    PubMed

    Quijano-Quiñones, Ramiro F; Quesadas-Rojas, Mariana; Cuevas, Gabriel; Mena-Rejón, Gonzalo J

    2012-04-20

    The energy change on each Occupied Molecular Orbital as a function of rotation about the C-C bond in ethane was studied using the B3LYP, mPWB95 functional and MP2 methods with different basis sets. Also, the effect of the ZPE on rotational barrier was analyzed. We have found that σ and π energies contribution stabilize a staggered conformation. The σ(s) molecular orbital stabilizes the staggered conformation while the stabilizes the eclipsed conformation and destabilize the staggered conformation. The π(z) and molecular orbitals stabilize both the eclipsed and staggered conformations, which are destabilized by the π(v) and molecular orbitals. The results show that the method of calculation has the effect of changing the behavior of the energy change in each Occupied Molecular Orbital energy as a function of the angle of rotation about the C-C bond in ethane. Finally, we found that if the molecular orbital energy contribution is deleted from the rotational energy, an inversion in conformational preference occurs.

  19. Identification of the flame retardant decabromodiphenyl ethane in the environment.

    PubMed

    Kierkegaard, Amelie; Björklund, Jonas; Fridén, Ulrika

    2004-06-15

    The brominated flame retardant decabromodiphenyl ethane, DeBDethane, is marketed as an alternative to decabromodiphenyl ether, BDE209. There are currently no data available about the presence of DeBDethane in the environment. In this study, DeBDethane was positively identified by high-resolution mass spectrometry and quantified by low-resolution mass spectrometry with electron capture negative ionization in sewage sludge, sediment, and indoor air. It was found in 25 of the 50 Swedish sewage treatment plants investigated, with estimated levels up to about 100 ng/g dry weight. The concentration of DeBDethane in sediment from Western Scheldt in The Netherlands was 24 ng/g dry weight, and in an air sample from a Swedish electronics dismantling facility it was 0.6 ng/m3. DeBDethane was also found together with nonabromodiphenyl ethanes in water piping insulation. All samples contained BDE209 in higher concentrations as compared to DeBDethane (DeBDethane/BDE209 ratios ranging from 0.02 to 0.7), probably reflecting the higher and longer usage of BDE209. There is an ongoing risk assessment within the European Union regarding BDE209. Since DeBDethane has similar applications, it is important to investigate its environmental behavior before using it to replace BDE209.

  20. 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.

  1. Partial oxidation of ethane to oxygenates using Fe- and Cu-containing ZSM-5.

    PubMed

    Forde, Michael M; Armstrong, Robert D; Hammond, Ceri; He, Qian; Jenkins, Robert L; Kondrat, Simon A; Dimitratos, Nikolaos; Lopez-Sanchez, Jose Antonio; Taylor, Stuart H; Willock, David; Kiely, Christopher J; Hutchings, Graham John

    2013-07-31

    Iron and copper containing ZSM-5 catalysts are effective for the partial oxidation of ethane with hydrogen peroxide giving combined oxygenate selectivities and productivities of up to 95.2% and 65 mol kgcat(-1) h(-1), respectively. High conversion of ethane (ca. 56%) to acetic acid (ca. 70% selectivity) can be observed. Detailed studies of this catalytic system reveal a complex reaction network in which the oxidation of ethane gives a range of C2 oxygenates, with sequential C-C bond cleavage generating C1 products. We demonstrate that ethene is also formed and can be subsequently oxidized. Ethanol can be directly produced from ethane, and does not originate from the decomposition of its corresponding alkylperoxy species, ethyl hydroperoxide. In contrast to our previously proposed mechanism for methane oxidation over similar zeolite catalysts, the mechanism of ethane oxidation involves carbon-based radicals, which lead to the high conversions we observe.

  2. 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.

  3. 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.

  4. The identification of liquid ethane in Titan's Ontario Lacus

    USGS Publications Warehouse

    Brown, R.H.; Soderblom, L.A.; Soderblom, J.M.; Clark, R.N.; Jaumann, R.; Barnes, J.W.; Sotin, C.; Buratti, B.; Baines, K.H.; Nicholson, P.D.

    2008-01-01

    Titan was once thought to have global oceans of light hydrocarbons on its surface, but after 40 close flybys of Titan by the Cassini spacecraft, it has become clear that no such oceans exist. There are, however, features similar to terrestrial lakes and seas, and widespread evidence for fluvial erosion, presumably driven by precipitation of liquid methane from Titan's dense, nitrogen-dominated atmosphere. Here we report infrared spectroscopic data, obtained by the Visual and Infrared Mapping Spectrometer (VIMS) on board the Cassini spacecraft, that strongly indicate that ethane, probably in liquid solution with methane, nitrogen and other low-molecular-mass hydrocarbons, is contained within Titan's Ontario Lacus. ??2008 Macmillan Publishers Limited. All rights reserved.

  5. Formation of a new benzene-ethane co-crystalline structure under cryogenic conditions.

    PubMed

    Vu, Tuan Hoang; Cable, Morgan L; Choukroun, Mathieu; Hodyss, Robert; Beauchamp, Patricia

    2014-06-12

    We report the first experimental finding of a solid molecular complex between benzene and ethane, two small apolar hydrocarbons, at atmospheric pressure and cryogenic temperatures. Considerable amounts of ethane are found to be incorporated inside the benzene lattice upon the addition of liquid ethane onto solid benzene at 90-150 K, resulting in formation of a distinctive co-crystalline structure that can be detected via micro-Raman spectroscopy. Two new features characteristic of these co-crystals are observed in the Raman spectra at 2873 and 1455 cm(-1), which are red-shifted by 12 cm(-1) from the υ1 (a1g) and υ11 (eg) stretching modes of liquid ethane, respectively. Analysis of benzene and ethane vibrational bands combined with quantum mechanical modeling of isolated molecular dimers reveal an interaction between the aromatic ring of benzene and the hydrogen atoms of ethane in a C-H···π fashion. The most favored configuration for the benzene-ethane dimer is the monodentate-contact structure, with a calculated interaction energy of 9.33 kJ/mol and an equilibrium bonding distance of 2.66 Å. These parameters are comparable to those for a T-shaped co-crystalline complex between benzene and acetylene that has been previously reported in the literature. These results are relevant for understanding the hydrocarbon cycle of Titan, where benzene and similar organics may act as potential hydrocarbon reservoirs due to this incorporation mechanism.

  6. Precipitation of alkylbenzene sulfonates with metal ions

    SciTech Connect

    Peacock, J.M.; Matijevic, E.

    1980-10-01

    The precipitation domains of P-(1-methylnonyl)benzene sulfonate ions with Li/sup +/, Na/sup +/, K/sup +/, Ca/sup 2 +/, Mg/sup 2 +/, Al/sup 3 +/, and La/sup 3 +/ and of Ca/sup 2 +/-P-(hexyloctyl)benzene sulfonate have been determined at constant pH and 25 C. The linear solubility boundaries reverse their slope at the critical micellar concentration of the surfactant. A semiquantitative interpretation of the data is offered. The properties of the solids formed also are described. 18 references.

  7. 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,...

  8. 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...

  9. 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,...

  10. 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...

  11. 40 CFR 721.10672 - Sodium olefin sulfonate derivative (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Sodium olefin sulfonate derivative... Specific Chemical Substances § 721.10672 Sodium olefin sulfonate derivative (generic). (a) Chemical... as sodium olefin sulfonate derivative (PMNs P-09-447 and P-09-448) are subject to reporting...

  12. 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.

  13. Location dependent orientational structure and dynamics of ethane in ZSM5

    NASA Astrophysics Data System (ADS)

    Gautam, Siddharth; Liu, Tingting; Patankar, Sumant; Tomasko, David; Cole, David

    2016-03-01

    Orientational structure and dynamics of ethane confined in ZSM5 zeolite at four different loadings are reported. The effect of pore geometry on ethane is studied by isolating the contribution from ethane molecules in different locations, viz. straight channels, sinusoidal channels and their intersections. Orientational dynamics is found to be hindered in general and exhibits librational motion, with the extant of hindrance being the greatest in sinusoidal channels. Librational motion becomes faster with an increase in loading. This counterintuitive finding is consistent with experiments reported elsewhere and is explained on the basis of a decreased orientational anisotropy at higher loadings.

  14. Hydrogen Bonding Cluster-Enabled Addition of Sulfonic Acids to Haloalkynes: Access to Both (E)- and (Z)-Alkenyl Sulfonates.

    PubMed

    Zeng, Xiaojun; Liu, Shiwen; Shi, Zhenyu; Xu, Bo

    2016-10-07

    We developed an efficient synthesis of alkenyl sulfonates via hydrogen bonding cluster-enabled addition of sulfonic acids to haloalkynes. The reactivity of sulfonic acids could be significantly enhanced in the presence of strong hydrogen bonding donors. This metal-free method results in good chemical yields for a wide range of haloalkyne substrates and demonstrates good functional group tolerance. What is more, we can control the stereoselectivity of addition (cis vs trans) by varying the steric bulk of the sulfonic acid.

  15. Room temperature synthesis of biodiesel using sulfonated ...

    EPA Pesticide Factsheets

    Sulfonation of graphitic carbon nitride (g-CN) affords a polar and strongly acidic catalyst, Sg-CN, which displays unprecedented reactivity and selectivity in biodiesel synthesis and esterification reactions at room temperature. Prepared for submission to Royal Society of Chemistry (RSC) journal, Green Chemistry as a communication.

  16. Color reduction of sulfonated eucalyptus kraft lignin.

    PubMed

    Zhang, Hui; Bai, Youcan; Zhou, Wanpeng; Chen, Fangeng

    2017-04-01

    Several eucalyptus lignins named as HSL, SML and BSL were prepared by high temperature sulfonation, sulfomethylation, butane sultone sulfonation respectively. The color properties of samples were investigated. Under optimized conditions the sulfonic group (SO3H) content of HSL, SML and BSL reached 1.52, 1.60 and 1.58mmol/g, respectively. Samples were characterized by UV-vis spectroscopy, FTIR spectroscopy, (1)H NMR spectroscopy, GPC and brightness test, respectively. The results revealed that BSL performed a higher molecular weight and lighter color due to the phenolic hydroxyl blocking by 1,4-butane sultone (1,4-BS). The color reduction of sodium borohydride treated BSL (labeled as SBSL) was further enhanced and the brightness value was improved by 76.1% compared with the darkest HSL. SBSL process was much better than HSL and SML process. Hydroxyl blocking effect of 1,4-BS and reducibility of sodium borohydride played important roles in the color reduction of sulfonated eucalyptus kraft lignin.

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation

    SciTech Connect

    Kim, J; Lin, LC; Martin, RL; Swisher, JA; Haranczyk, M; Smit, B

    2012-08-14

    Large-scale computational screening of thirty thousand zeolite structures was conducted to find optimal structures for seperation of ethane/ethene mixtures. Efficient grand canonical Monte Carlo (GCMC) simulations were performed with graphics processing units (GPUs) to obtain pure component adsorption isotherms for both ethane and ethene. We have utilized the ideal adsorbed solution theory (LAST) to obtain the mixture isotherms, which were used to evaluate the performance of each zeolite structure based on its working capacity and selectivity. In our analysis, we have determined that specific arrangements of zeolite framework atoms create sites for the preferential adsorption of ethane over ethene. The majority of optimum separation materials can be identified by utilizing this knowledge and screening structures for the presence of this feature will enable the efficient selection of promising candidate materials for ethane/ethene separation prior to performing molecular simulations.

  2. An integral proton conducting SOFC for simultaneous production of ethylene and power from ethane.

    PubMed

    Fu, Xian-Zhu; Luo, Jing-Li; Sanger, Alan R; Danilovic, Nemanja; Chuang, Karl T

    2010-03-28

    A novel, integral, tri-layered, proton conducting membrane SOFC was readily fabricated for simultaneous conversion of ethane at 650-700 degrees C to electrical power and ethylene with high selectivity.

  3. 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

  4. On the role of ethenol in equilibrium gas-phase ethanal

    NASA Astrophysics Data System (ADS)

    Slanina, Zdeněk

    1984-03-01

    The ethenol content in gas-phase ethanal has been evaluated under equilibrium conditions within a broad temperature interval, and it has been shown that the content thresholds of 1% and 1% can be crossed at about 650 and 1000 K, respectively. At moderate and higher temperatures the presence of ethenol is manifested by contributions to thermodynamic functions of the equilibrium gas-phase ethanal which can be even higher than the usual anharmonicity and non-rigidity corrections.

  5. 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.

  6. 12C/13C ratio in ethane on titan and implications for methane's replenishment.

    PubMed

    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

    2009-10-22

    The (12)C/(13)C abundance ratio in ethane in the atmosphere of Titan has been measured at 822 cm(-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 (12)C/(13)C ratio for ethane is higher than the ratio measured in atmospheric methane by Cassini/Huygens GCMS, 82.3(1), representing an enrichment of (12)C 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 (12)C/(13)C ratio as that in the supply. The telluric value of the ratio in ethane then implies that the methane reservoir is primordial.

  7. 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.

  8. 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.

  9. 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.

  10. Jovian Northern Ethane Aurora and the Solar Cycle

    NASA Technical Reports Server (NTRS)

    Kostiuk,T.; Livengood, T.; Fast, K.; Buhl, D.; Goldstein, J.; Hewagama, T.

    1999-01-01

    Thermal infrared auroral spectra from Jupiter's North polar region have been collected from 1979 to 1998 in a continuing study of long-term variability in the northern thermal IR aurora, using C2H6 emission lines near 12 microns as a probe. Data from Voyager I and 2 IRIS measurements and ground based spectral measurements were analyzed using the same model atmosphere to provide a consistent relative comparison. A retrieved equivalent mole fraction was used to compare the observed integrated emission. Short term (days), medium term (months) and long term (years) variability in the ethane emission was observed. The variability Of C2H6 emission intensities was compared to Jupiter's seasonal cycle and the solar activity cycle. A positive correlation appears to exist, with significantly greater emission and short term variability during solar maxima. Observations on 60 N latitude during increased solar activity in 1979, 1989, and most recently in 1998 show up to 5 times brighter integrated line emission of C2H6 near the north polar "hot spot" (150-210 latitude) than from the north quiescent region. Significantly lower enhancement was observed during periods of lower solar activity in 1982, 1983, 1993, and 1995. Possible sources and mechanisms for the enhancement and variability will be discussed.

  11. Sulfonated nanoporous colloidal films and membranes

    NASA Astrophysics Data System (ADS)

    Smith, Joanna Jane

    The objective of this thesis is to describe the preparation and investigation of a new class of proton-conducting membrane materials, namely, nanoporous colloidal membranes whose proton conductivity results from the nanopore surface modification with organic molecules carrying acid functionalities. Both the proton transport and ion transport were studied in nanoporous silica colloidal crystals that were surface modified with sulfonic groups. First, the transport of ions was studied through sulfonated silica colloidal films that were supported on platinum electrodes using cyclic voltammetry. The surface of self-assembled nanoporous silica colloidal crystalline films was sulfonated using 1,3-propanesultone. We found that the flux of anions through the sulfonated colloidal films is reduced, while the flux of cations is increased, compared to the unmodified colloidal films. Second, the proton transport in free-standing assemblies of surface-sulfonated silica nanospheres, either randomly packed or self-assembled into a close-packed arrangement, were studied. It was demonstrated that colloidal assemblies prepared using surface-sulfonated silica nanospheres posses proton conductivity that depends on the ordering of the material, temperature and relative humidity. Based on the comparison between the close-packed and disordered assemblies made of the same spheres, we conclude that the increase in structural organization of the self-assembled colloidal materials leads to increased proton conductivity and better water retention. Next free-standing colloidal membranes with a relatively large area and no mechanical defects were prepared by sintering silica colloidal films. The sintered membranes were then surface rehydroxylated, which restores the surface silanol groups, and then can be chemically modified. Finally, sintered self-assembled nanoporous silica colloidal crystals were modified with poly(sulfopropyl-methacrylate) (pSPM) and poly(stryrenesulfonic acid) (pSSA) brushes

  12. 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.

  13. Ionic Strength Responsive Sulfonated Polystyrene Opals.

    PubMed

    Nucara, Luca; Piazza, Vincenzo; Greco, Francesco; Robbiano, Valentina; Cappello, Valentina; Gemmi, Mauro; Cacialli, Franco; Mattoli, Virgilio

    2017-02-08

    Stimuli-responsive photonic crystals (PCs) represent an intriguing class of smart materials very promising for sensing applications. Here, selective ionic strength responsive polymeric PCs are reported. They are easily fabricated by partial sulfonation of polystyrene opals, without using toxic or expensive monomers and etching steps. The color of the resulting hydrogel-like ordered structures can be continuously shifted over the entire visible range (405-760 nm) by changing the content of ions over an extremely wide range of concentration (from about 70 μM to 4 M). The optical response is completely independent from pH and temperature, and the initial color can be fully recovered by washing the sulfonated opals with pure water. These new smart photonic materials could find important applications as ionic strength sensors for environmental monitoring as well as for healthcare screening.

  14. 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.

  15. Study on synchronous detection method of methane and ethane with laser absorption spectroscopy technology

    NASA Astrophysics Data System (ADS)

    He, Ying; Zhang, Yu-jun; You, Kun; Gao, Yan-wei; Chen, Chen; Liu, Jian-guo; Liu, Wen-qing

    2016-10-01

    The main ingredient of mash gas is alkenes, and methane is the most parts of mash gas and ethane is a small portion of it. Fast, accurate, real-time measurement of methane and ethane concentration is an important task for preventing coal mining disaster. In this research, a monitoring system with tunable diode laser absorption spectroscopy (TDLAS) technology has been set up for simultaneous measurement of methane and ethane, and a DFB laser at wavelength of 1.653μm was used as the laser source. The absorption spectroscopy information of methane and ethane, especially the characteristic of the spectrum peak positions and relative intensity were determined by available spectral structures from previous study and available database. Then, the concentration inversion algorithm method based on the spectral resolution and feature extraction was designed for methane and ethane synchronous detection. At last, the continuously experimental results obtained by different concentration of methane and ethane sample gases with the multiple reflection cell and the standard distribution system. In this experiment, the standard distribution system made with the standard gas and two high precision mass flow meters of D07 Sevenstar series whose flow velocity is 1l/min and 5l/min respectively. When the multiple reflection cell work stably, the biggest detection error of methane concentration inversion was 3.7%, and the biggest detection error of ethane was 4.8%. So it is verified that this concentration inversion algorithm works stably and reliably. Thus, this technology could realize the real-time, fast and continuous measurement requirement of mash gas and it will provide the effective technical support to coal mining production in safety for our country.

  16. Revisiting global fossil fuel and biofuel emissions of ethane

    NASA Astrophysics Data System (ADS)

    Tzompa-Sosa, Z. A.; Mahieu, E.; Franco, B.; Keller, C. A.; Turner, A. J.; Helmig, D.; Fried, A.; Richter, D.; Weibring, P.; Walega, J.; Yacovitch, T. I.; Herndon, S. C.; Blake, D. R.; Hase, F.; Hannigan, J. W.; Conway, S.; Strong, K.; Schneider, M.; Fischer, E. V.

    2017-02-01

    Recent measurements over the Northern Hemisphere indicate that the long-term decline in the atmospheric burden of ethane (C2H6) has ended and the abundance increased dramatically between 2010 and 2014. The rise in C2H6 atmospheric abundances has been attributed to oil and natural gas extraction in North America. Existing global C2H6 emission inventories are based on outdated activity maps that do not account for current oil and natural gas exploitation regions. We present an updated global C2H6 emission inventory based on 2010 satellite-derived CH4 fluxes with adjusted C2H6 emissions over the U.S. from the National Emission Inventory (NEI 2011). We contrast our global 2010 C2H6 emission inventory with one developed for 2001. The C2H6 difference between global anthropogenic emissions is subtle (7.9 versus 7.2 Tg yr-1), but the spatial distribution of the emissions is distinct. In the 2010 C2H6 inventory, fossil fuel sources in the Northern Hemisphere represent half of global C2H6 emissions and 95% of global fossil fuel emissions. Over the U.S., unadjusted NEI 2011 C2H6 emissions produce mixing ratios that are 14-50% of those observed by aircraft observations (2008-2014). When the NEI 2011 C2H6 emission totals are scaled by a factor of 1.4, the Goddard Earth Observing System Chem model largely reproduces a regional suite of observations, with the exception of the central U.S., where it continues to underpredict observed mixing ratios in the lower troposphere. We estimate monthly mean contributions of fossil fuel C2H6 emissions to ozone and peroxyacetyl nitrate surface mixing ratios over North America of 1% and 8%, respectively.

  17. Preparation of Sulfonated Poly(aryl ether sulfone) Electrospun Mat/Phosphosilicate Composite Proton Exchange Membrane

    NASA Astrophysics Data System (ADS)

    Wang, Limei; Dou, Liyan; Guan, Guoying

    2017-03-01

    Side-chain-type sulfonated poly(aryl ether sulfone) (SPES) was synthesized and then electrospun into mats. Phosphosilicate glass (PS) via in situ sol-gel synthesis was enclosed in the mats to form a new reinforced composite membrane. The SPES/PS composite membranes showed satisfactory dimensional change behavior with varying humidity. Especially, the composite membrane exhibits excellent proton conductivity at harsh measurement conditions of low humidity at 80°C. The composite membrane with outstanding combined properties has potential applications for high temperature polymer electrolyte membrane fuel cells.

  18. Preparation of Sulfonated Poly(aryl ether sulfone) Electrospun Mat/Phosphosilicate Composite Proton Exchange Membrane

    NASA Astrophysics Data System (ADS)

    Wang, Limei; Dou, Liyan; Guan, Guoying

    2017-01-01

    Side-chain-type sulfonated poly(aryl ether sulfone) (SPES) was synthesized and then electrospun into mats. Phosphosilicate glass (PS) via in situ sol-gel synthesis was enclosed in the mats to form a new reinforced composite membrane. The SPES/PS composite membranes showed satisfactory dimensional change behavior with varying humidity. Especially, the composite membrane exhibits excellent proton conductivity at harsh measurement conditions of low humidity at 80°C. The composite membrane with outstanding combined properties has potential applications for high temperature polymer electrolyte membrane fuel cells.

  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. CFD Modeling of a Laser-Induced Ethane Pyrolysis in a Wall-less Reactor

    NASA Astrophysics Data System (ADS)

    Stadnichenko, Olga; Snytnikov, Valeriy; Yang, Junfeng; Matar, Omar

    2014-11-01

    Ethylene, as the most important feedstock, is widely used in chemical industry to produce various rubbers, plastics and synthetics. A recent study found the IR-laser irradiation induced ethane pyrolysis yields 25% higher ethylene production rates compared to the conventional steam cracking method. Laser induced pyrolysis is initiated by the generation of radicals upon heating of the ethane, then, followed by ethane/ethylene autocatalytic reaction in which ethane is converted into ethylene and other light hydrocarbons. This procedure is governed by micro-mixing of reactants and the feedstock residence time in reactor. Under mild turbulent conditions, the turbulence enhances the micro-mixing process and allows a high yield of ethylene. On the other hand, the high flow rate only allows a short residence time in the reactor which causes incomplete pyrolysis. This work attempts to investigate the interaction between turbulence and ethane pyrolysis process using large eddy simulation method. The modelling results could be applied to optimize the reactor design and operating conditions. Skolkovo Foundation through the UNIHEAT Project.

  1. Adsorption of binary mixtures of ethane and acetylene on activated carbon

    SciTech Connect

    Lee, T.V.; Huang, J.C.; Rothstein, D.; Madey, R.

    1984-01-01

    Dynamic measurement of the adsorption of binary mixtures of ethane and acetylene (and also of each gas alone) in a helium carrier gas were made on an (Columbia 4LXC 12/28) activated carbon adsorber bed at 25/sup 0/C. The adsorption capacities of the activated carbon for the pure gases and for each component in the mixtures are extracted from the transmission curves by the use of a mass balance equation. Transmission is the ratio of the concentration at the outlet of the adsorber bed to that at the inlet. The adsorption isotherms for pure ethane and acetylene can be presented by a modified Langmuir isotherm known as the Chakravarti-Dhar isotherm at gas concentrations up to at least 4.2 X 19/sup -7/ mol/cm/sup 3/ (viz., 7.8 mmHg). The gas-adsorbate equilibrium composition and the adsorption capacity of each component in the binary mixture of ethane and acetylene are estimated from the corresponding single-component isotherms by applying ideal adsorbed solution theory (IAST). The fact that the estimated values of the adsorption capacities and the gas-adsorbate equilibrium compositions are in good agreement with those extracted from the measurements for the binary mixtures of ethane and acetylene confirms that the ethane-acetylene system forms an ideal adsorbed phase on activated carbon at a pressure of about 7.3 mmHg and a temperature of 25/sup 0/C. 20 references, 4 figures, 4 tables.

  2. 20th century ethane variability from polar firn air and implications for the methane budget

    NASA Astrophysics Data System (ADS)

    Saltzman, E. S.; Verhulst, K. R.; Aydin, K. M.; Battle, M. O.; Montzka, S. A.; Tang, Q.; Prather, M. J.

    2010-12-01

    Methane and ethane are the most abundant hydrocarbons in the atmosphere and they impact both atmospheric chemistry and climate. Both gases are emitted from fossil fuels and biomass burning, while methane alone has large sources from wetlands, agriculture, landfills and wastewater. Here we use measurements in firn air from Greenland and Antarctica to reconstruct the atmospheric variability of ethane during the 20th century. Ethane levels rose from early in the century until the 1980’s when the trend reverses, with a period of decline over the next 20 years. This variability is primarily driven by changes in ethane emissions from fossil fuels that peaked in the 1960’s and 1970’s at 14-16 Tg/y and dropped to 8-10 Tg/y before the end of the century. The reduction in fossil-fuel sources is likely related to changes in light hydrocarbon recovery during petroleum production and use. The ethane-based emission history implies that the decline in the fossil-fuel source of methane may have started prior to the 1980’s and that the magnitude of the decline is larger than previous estimates.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  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. Comparison between transport parameters for K+ and Li+ in 1, 2-dimethoxy ethane (DXE) gas

    NASA Astrophysics Data System (ADS)

    Nikitović, Ž.; Gilić, M.; Raspopović, Z.; Stojanović, V.

    2016-10-01

    In this paper, a theoretical study of 1, 2-dimethoxy ethane (DXE) and \\text{K}^+/\\text{Li}+ binary mixture in low-temperature plasmas is reported. The most probable reactions of alkali metal ions K+ and Li+ with dimethoxy ethane molecule and its fragment ions are selected in order to obtain appropriate gas phase enthalpies of formation for the products. The scattering cross-sections set as a function of kinetic energy and transport parameters as a function of E/N (E is the electric field, N the gas density) were obtained by using the Monte Carlo technique.

  10. 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 ...

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

    PubMed

    Yao, Qingwei

    2002-02-07

    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.

  12. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... consist of basic resin produced by reacting polyphenylene sulfide with peracetic acid such that the... sulfide used to manufacture polyphenylene sulfone is prepared by the reaction of sodium sulfide and p... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Polyphenylene sulfone resins. 177.2500 Section...

  13. Production and Application of Lignosulfonates and Sulfonated Lignin.

    PubMed

    Aro, Thomas; Fatehi, Pedram

    2017-03-02

    Lignin is the largest reservoir of aromatic compounds on earth and has great potential to be used in many industrial applications. Alternative methods to produce lignosulfonates from spent sulfite pulping liquors and kraft lignin from black liquor of kraft pulping process are critically reviewed herein. Furthermore, options to increase the sulfonate contents of lignin-based products are outlined and the industrial attractiveness of them is evaluated. This evaluation includes sulfonation and sulfomethylation of lignin. To increase the sulfomethylation efficiency of lignin, various scenarios, including hydrolysis, oxidation, and hydroxymethylation, were compared. The application of sulfonated lignin-based products is assessed and the impact of the properties of these products on the characteristics of their end-use application is critically evaluated. Sulfonated lignin-based products have been used as dispersants in cement admixtures and dye solutions more than other applications, and their molecular weight and degree of sulfonation were crucial in determining their efficiency. The use of lignin-based sulfonated products in composites may result in an increase in the hydrophilicity of some composites, but the sulfonated products may need to be desulfonated with an alkali and/or oxygen prior to their use in composites. To be used as a flocculant, sulfonated lignin-based products may need to be cross-linked to increase their molecular weight. The challenges associated with the use of lignin-based products in these applications are comprehensively discussed herein.

  14. 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.

  15. 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...

  16. 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...

  17. 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.

  18. 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...

  19. Controlling Structure in Sulfonated Block Copolymer Membranes

    NASA Astrophysics Data System (ADS)

    Truong, Phuc; Stein, Gila; Strzalka, Joe

    2015-03-01

    In many ionic block copolymer systems, the strong incompatibility between ionic and non-ionic segments will trap non-equilibrium structures in the film, making it difficult to engineer the optimal domain sizes and transport pathways. The goal of this work is to establish a framework for controlling the solid-state structure of sulfonated pentablock copolymer membranes. They have ABCBA block sequence, where A is poly(t-butyl styrene), B is poly(hydrogenated isoprene), and C is poly(styrene sulfonate). To process into films, the polymer is dissolved in toluene/n-propanol solvent mixtures, where the solvent proportions and the polymer loading were both varied. Solution-state structure was measured with small angle X-ray scattering (SAXS). We detected micelles with radii that depend on the solvent composition and polymer loading. Film structure was measured with grazing-incidence SAXS, which shows (i) domain periodicity is constant throughout film thickness; (ii) domain periodicity depends on solvent composition and polymer loading, and approximately matches the micelle radii in solutions. The solid-state packing is consistent with a hard sphere structure factor. Results suggest that solid-state structure can be tuned by manipulating the solution-state self-assembly.

  20. Rh-Catalyzed Asymmetric Hydrogenation of α-Substituted Vinyl Sulfones: An Efficient Approach to Chiral Sulfones.

    PubMed

    Shi, Liyang; Wei, Biao; Yin, Xuguang; Xue, Peng; Lv, Hui; Zhang, Xumu

    2017-03-03

    Rh/(S)-(+)-DTBM-Segphos complex catalyzed asymmetric hydrogenation of α-substituted vinyl sulfones has been achieved, furnishing the desired products in high yields and excellent enantioselectivities (>90% yield, up to 99% ee). This method provided an efficient approach to α-substituted chiral sulfones under mild conditions and has potential applications in organic synthesis.

  1. A Convenient Synthetic Protocol to 1,2-Bis(dialkylphosphino)ethanes

    PubMed Central

    Doyle, Laurence R; Heath, Alex; Low, Choon Heng; Ashley, Andrew E

    2014-01-01

    1,2-Bis(dialkylphosphino)ethanes are readily prepared from the parent phosphine oxides, via a novel sodium aluminium hydride/sodium hydride reduction protocol of intermediate chlorophosphonium chlorides. This approach is amenable to multi-gram syntheses, utilises readily available and inexpensive reagents, and benefits from a facile non-aqueous work-up in the final reductive step. PMID:26190960

  2. 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...

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

    NASA Technical Reports Server (NTRS)

    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.

    2009-01-01

    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 CIRS(exp 1) and from the ground 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.

  4. 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.

  5. 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,...

  6. Dissociation behavior of methane--ethane mixed gas hydrate coexisting structures I and II.

    PubMed

    Kida, Masato; Jin, Yusuke; Takahashi, Nobuo; Nagao, Jiro; Narita, Hideo

    2010-09-09

    Dissociation behavior of methane-ethane mixed gas hydrate coexisting structures I and II at constant temperatures less than 223 K was studied with use of powder X-ray diffraction and solid-state (13)C NMR techniques. The diffraction patterns at temperatures less than 203 K showed both structures I and II simultaneously convert to Ih during the dissociation, but the diffraction pattern at temperatures greater than 208 K showed different dissociation behavior between structures I and II. Although the diffraction peaks from structure II decreased during measurement at constant temperatures greater than 208 K, those from structure I increased at the initial step of dissociation and then disappeared. This anomalous behavior of the methane-ethane mixed gas hydrate coexisting structures I and II was examined by using the (13)C NMR technique. The (13)C NMR spectra revealed that the anomalous behavior results from the formation of ethane-rich structure I. The structure I hydrate formation was associated with the dissociation rate of the initial methane-ethane mixed gas hydrate.

  7. Methane, black carbon, and ethane emissions from natural gas flares in the Bakken Shale, ND.

    PubMed

    Gvakharia, Alexander; Kort, Eric A; Brandt, Adam R; Peischl, Jeff; Ryerson, Thomas B; Schwarz, Joshua P; Smith, Mackenzie L; Sweeney, Colm

    2017-04-12

    Incomplete combustion during flaring can lead to production of black carbon (BC) and loss of methane and other pollutants to the atmosphere, impacting climate and air quality. However, few studies have measured flare efficiency in a real-world setting. We use airborne data of plume samples from 37 unique flares in the Bakken region of North Dakota in May 2014 to calculate emission factors for BC, methane, ethane, and combustion efficiency for methane and ethane. We find no clear relationship between emission factors and aircraft-level wind speed, nor between methane and BC emission factors. Observed median combustion efficiencies for methane and ethane are close to expected values for typical flares according to the US EPA (98%). However, we find that the efficiency distribution is skewed, exhibiting lognormal behavior. This suggests incomplete combustion from flares contributes almost 1/5 of the total field emissions of methane and ethane measured in the Bakken shale, more than double the expected value if 98\\% efficiency was representative. BC emission factors also have a skewed distribution, but we find lower emission values than previous studies. The direct observation for the first time of a heavy-tail emissions distribution from flares suggests the need to consider skewed distributions when assessing flare impacts globally.

  8. 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.

  9. 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...

  10. Activation of methane and ethane and their selective oxidation to the alcohols in protic media

    SciTech Connect

    Sen, A.; Benvenuto, M.A.; Lin, M.; Hutson, A.C.; Basickes, N. )

    1994-02-09

    The selective oxidation of methane and ethane to the alcohols in solvents ranging from strong acids to neutral aqueous medium has been studied. In 98% sulfuric acid, methane is oxidized to CH[sub 3]OSO[sub 3]H by a variety of 1e[sup [minus

  11. 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...

  12. 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

  13. 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

  14. 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.

  15. Equilibrium clumped-isotope effects in doubly substituted isotopologues of ethane

    NASA Astrophysics Data System (ADS)

    Webb, Michael A.; Wang, Yimin; Braams, Bastiaan J.; Bowman, Joel M.; Miller, Thomas F.

    2017-01-01

    We combine path-integral Monte Carlo methods with a new intramolecular potential energy surface to quantify the equilibrium enrichment of doubly substituted ethane isotopologues due to clumped-isotope effects. Ethane represents the simplest molecule to simultaneously exhibit 13C-13C, 13C-D, and D-D clumped-isotope effects, and the analysis of corresponding signatures may provide useful geochemical and biogeochemical proxies of formation temperatures or reaction pathways. Utilizing path-integral statistical mechanics, we predict equilibrium fractionation factors that fully incorporate nuclear quantum effects, such as anharmonicity and rotational-vibrational coupling which are typically neglected by the widely used Urey model. The magnitude of the calculated fractionation factors for the doubly substituted ethane isotopologues indicates that isotopic clumping can be observed if rare-isotope substitutions are separated by up to three chemical bonds, but the diminishing strength of these effects suggests that enrichment at further separations will be negligible. The Urey model systematically underestimates enrichment due to 13C-D and D-D clumped-isotope effects in ethane, leading to small relative errors in the apparent equilibrium temperature, ranging from 5 K at 273.15 K to 30 K at 873.15 K. We additionally note that the rotameric dependence of isotopologue enrichment must be carefully considered when using the Urey model, whereas the path-integral calculations automatically account for such effects due to configurational sampling. These findings are of direct relevance to future clumped-isotope studies of ethane, as well as studies of 13C-13C, 13C-D, and D-D clumped-isotope effects in other hydrocarbons.

  16. 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.

  17. 21 CFR 172.824 - Sodium mono- and dimethyl naphthalene sulfonates.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Sodium mono- and dimethyl naphthalene sulfonates... sulfonates. The food additive sodium mono- and dimethyl naphthalene sulfonates may be safely used in... statement declaring the presence of sodium mono- and dimethyl naphthalene sulfonates....

  18. 21 CFR 172.824 - Sodium mono- and dimethyl naphthalene sulfonates.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Sodium mono- and dimethyl naphthalene sulfonates... sulfonates. The food additive sodium mono- and dimethyl naphthalene sulfonates may be safely used in... statement declaring the presence of sodium mono- and dimethyl naphthalene sulfonates....

  19. 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.

  20. 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.

  1. Synthesization, characterization and adsorption properties of sulfonic cellulose.

    PubMed

    Shi, Wenjian; Zhou, Yan; Zhang, Yuanzhang; Li, Liang; Yang, Qinlin

    2012-01-01

    The synthesization and characterization of a new environmental functional material-sulfonic cellulose - were studied in this paper. The preparation conditions were optimized through an orthogonal experiment. The modified cellulose was characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and scanning electron microscope (SEM). The adsorption rules of cationic organic pollutants and heavy metal ions by this new material were discussed. Regeneration and recycling performances of the sulfonic cellulose were also investigated. At the temperature of 323 K, sulfonic cellulose was prepared by grafting 2-acrylamido-2-methylpropane sulfonic acid (AMPS) onto alkali-treated cellulose for 4 h with the employing of ceric ammonium nitrate as initiator. The mass ratio of AMPS to cellulose was 3:1 and the concentration of ceric ammonium nitrate was 63.8 mmol/L. The sulfur content of sulfonic cellulose was 7.32 wt%. The peaks of 1,303 and 1,159 cm⁻¹ in IR suggested the existence of the sulfonic group in sulfonic cellulose. The XRD and SEM results showed that the crystallinity decreased while the specific surface area increased after modification. Batch adsorption results showed that sulfonic cellulose had a favorable adsorption capacity for model contaminants at pH 6.0-7.0. The adsorption process was endothermic and reached equilibrium in 180 min. The adsorption rules of cationic organic pollutants and heavy metal ions indicated that sulfonic cellulose had high adsorption capacity for the cationic dyes with a coplanar macromolecule structure and organic compounds carrying the amino group. Under room temperature, 1.0 mol/L HCl can be used as a desorption solution and the equilibrium adsorption capacity had little decrease (less than 7%) after six adsorption-desorption cycles.

  2. Line Positions, Intensities, - and N_2-BROADENING Parameters in the ν_9 Band of Ethane (C_2H_6)

    NASA Astrophysics Data System (ADS)

    Rinsland, Curtis P.; Devi, V. Malathy; Benner, D. Chris; Sams, Robert L.; Blake, Thomas A.

    2009-06-01

    High-resolution infrared spectra of ethane have been recorded using the Bruker IFS 120 HR Fourier transform spectrometer (FTS) at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington. Several spectra of pure ethane and ethane in N_2 mixtures were obtained with absorption paths of 20 cm and 3.2 m. Room temperature spectra were obtained in both 20 cm and 3.2 m paths while cold spectra were obtained using only the 20 cm path cell. The spectra were obtained at ˜0.0028 cm^{-1} resolution with sample pressures ranging from 0.3 to ˜36 torr for pure ethane and 11 to 180 torr in ethane-N_2 mixtures. The volume mixing ratios of ethane in the ethane-N_2 mixtures varied between 0.01 and 0.2. The gas temperatures varied from -66^°C to 24^°C. Positions, intensities, self- and N_2-broadening parameters were determined by processing 16 or 17 room temperature spectra using the multispectrum nonlinear least squares spectrum fitting technique. The results obtained for transitions in a few select ^PQ and ^RQ sub-bands will be reported at this time. D. Chris Benner, C.P. Rinsland, V. Malathy Devi, M.A.H. Smith, and D. Atkins, J. Quant. Spectrosc. Radiat. Transfer 53, 705-721 (1995)

  3. 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; ...

    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

  4. 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.

  5. Comparison of Different Synthetic Routes for Sulfonation of Polyaniline

    DTIC Science & Technology

    1992-06-29

    sulfonated -olyanaiine (SPAN), the first self protonic acid doped polyaniline , was reported.4 In order to establish the relationships between a variety of...FOR SULFONATION OF POLYANILINE " 6. AUTHOR(S) • G--N00014-90-J- 1559 J. Yue, G. Gordon a"-I AJ. Epstein 7. PERFORMING ORGANIZATION NAMI(S) AND REPORT...Appeved kw puklie rela"MI , ,mum 200 woros) Polyanilines containing sulfonic groups covalently bonded to the back- z•um bone were synthesized from

  6. 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.

  7. Electrochemical windows of sulfone-based electrolytes for high-voltage Li-ion batteries.

    PubMed

    Shao, Nan; Sun, Xiao-Guang; Dai, Sheng; Jiang, De-en

    2011-10-27

    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.

  8. Alternative hybrid electrolytes based on a series of bis(trialkoxysilyl)alkanes and 3-(trihydroxysilyl)-1-propane sulfonic acid applied in gas diffusion electrodes of proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Lin, C. W.; Chung, L. C.; Veerapur, R. S.; Yang, F. C.

    This study demonstrates a method for improving the electrolyte distribution in catalyst layers and enhancing the utilization of catalyst existing in primary pores. Bis(trialkoxysilyl)alkanes (BTAS-alkanes) and 3-(trihydroxysilyl)-1-propane sulfonic acid (THS)Pro-SO 3H) precursors have been used to prepare a series of hybrid electrolytes with various organic segment lengths of BTAS-alkanes and ratios of organic moiety and sulfonic acid groups. Investigations of BTAS-alkanes series includes bis(triethoxysilyl)octane (BTES-Oct), bis(trimethoxysilyl)hexane (BTMS-Hex), and bis(triethoxysilyl)ethane (BTES-Eth). Small angle X-ray spectroscopy (SAXS) identifies morphological phase separation in BTES-Oct and BTMS-Hex hybrid electrolytes. The results of mercury porosimetry and BET porosimetry show that the hybrid electrolytes have better capability than Nafion ionomer to penetrate into primary pores of the catalyst layers. Electrochemical measurements including electrode polarization, electrochemical active surface (EAS) and electrochemical impedance spectroscopy (EIS) are discussed. The BTES-Oct or BTMS-Hex hybrid electrolytes with higher ratio of organic moiety and sulfonic acid group have achieved better electrode performance. Oxygen benefit current (OBC) results indicate that higher ratios of BTES-Oct/(THS)Pro-SO 3H provides higher hydrophobicity with better gas transport properties. However, the hybrid electrodes exhibit lower cathode performance than Nafion ®-based electrodes due to excessive electrolyte incorporated in the catalyst layer.

  9. Room temperature synthesis of biodiesel using sulfonated graphitic carbon nitride

    EPA Science Inventory

    Sulfonation of graphitic carbon nitride (g-CN) affords a polar and strongly acidic catalyst, Sg-CN, which displays unprecedented reactivity and selectivity in biodiesel synthesis and esterification reactions at room temperature.

  10. Vibrational frequencies and structural determinations of di-vinyl sulfone

    NASA Astrophysics Data System (ADS)

    Ellzy, Michael W.; Jensen, James O.; Kay, Jack G.

    2003-03-01

    We present a detailed analysis of the structure and infrared spectra of di-vinyl sulfone. The vibrational frequencies of the di-vinyl sulfone molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311G* basis set. The structural transformation of the chemical agent bis(2-chloroehtyl) sulfide (HD, mustard gas) and the related symmetry to a previously study compounds [Spectrochim. Acta Part A 55 (1999) 121; Spectrochim. Acta Part A 57 (2001) 2417] makes the symmetry of the di-vinyl sulfone molecule an interesting candidate for study. The molecule exists normally in a C2 configuration. High-energy forms of di-vinyl sulfone with CS and C1 symmetries also exist.

  11. Room temperature synthesis of biodiesel using sulfonated graphitic carbon nitride

    PubMed Central

    Baig, R. B. Nasir; Verma, Sanny; Nadagouda, Mallikarjuna N.; Varma, Rajender S.

    2016-01-01

    Sulfonation of graphitic carbon nitride (g-CN) affords a polar and strongly acidic catalyst, Sg-CN, which displays unprecedented reactivity and selectivity in biodiesel synthesis and esterification reactions at room temperature. PMID:27991593

  12. Room temperature synthesis of biodiesel using sulfonated graphitic carbon nitride.

    PubMed

    Baig, R B Nasir; Verma, Sanny; Nadagouda, Mallikarjuna N; Varma, Rajender S

    2016-12-19

    Sulfonation of graphitic carbon nitride (g-CN) affords a polar and strongly acidic catalyst, Sg-CN, which displays unprecedented reactivity and selectivity in biodiesel synthesis and esterification reactions at room temperature.

  13. Room temperature synthesis of biodiesel using sulfonated graphitic carbon nitride

    NASA Astrophysics Data System (ADS)

    Baig, R. B. Nasir; Verma, Sanny; Nadagouda, Mallikarjuna N.; Varma, Rajender S.

    2016-12-01

    Sulfonation of graphitic carbon nitride (g-CN) affords a polar and strongly acidic catalyst, Sg-CN, which displays unprecedented reactivity and selectivity in biodiesel synthesis and esterification reactions at room temperature.

  14. 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.

  15. 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.

  16. Detection of pesticides and pesticide metabolites using the cross reactivity of enzyme immunoassays.

    PubMed

    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.

  17. The Snail-Induced Sulfonation Pathway in Breast Cancer Metastasis

    DTIC Science & Technology

    2014-09-01

    AD_________________ Award Number: W81XWH-11-1-0494   TITLE: The Snail -Induced Sulfonation... Snail -Induced Sulfonation Pathway in Breast Cancer Metastasis 5b. GRANT NUMBER W81XWH-11-1-0494 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Dr...provided funding for a 3-year project that has resulted in fundamental new insights into how the transcription factor Snail can control gene

  18. Real-time monitoring of ethane in human breath using mid-infrared cavity leak-out spectroscopy

    NASA Astrophysics Data System (ADS)

    Dahnke, H.; Kleine, D.; Hering, P.; Mürtz, M.

    2001-06-01

    We report on spectroscopic real-time analysis of ethane traces in exhaled human breath. Ethane is considered the most important volatile marker of free-radical induced lipid peroxidation and cell damage in the human body. Our measurements were carried out by means of mid-infrared cavity leak-out spectroscopy in the 3 μm region, a cw variant of cavity ring-down spectroscopy. The spectrometer is based on a CO overtone laser with tunable microwave sidebands. The resulting system proved to be an unique tool with high sensitivity and selectivity for rapid and precise breath testing. With a 5 s integration time, we achieved a detection limit on the order of 100 parts per trillion ethane in human breath. Thus, sample preconcentration is unnecessary. Time-resolved monitoring of the decaying ethane fraction in breath after smoking a cigarette is demonstrated.

  19. Crystal and molecular structure of alpha-iodo-beta-chlorovinyl phenyl sulfone and ,US -dibromovinyl phenyl sulfone

    SciTech Connect

    Bel'skii, V.K.; Shainyan, B.A.; Mirskova, A.N.

    1986-09-01

    The authors discuss rearrangement and isomerization procedures occurring in the bromination, iodination, and chlorination of the title sulfones and assess their crystal and molecular structure using NMR spectroscopy and x-ray diffraction.

  20. 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; ...

    2015-01-01

    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.

  1. 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.

  2. Hydrogen component fugacity coefficients in binary mixtures with ethane: Pressure dependence

    NASA Astrophysics Data System (ADS)

    Bruno, T. J.; Schroeder, J. A.; Outcalt, S. L.

    1990-09-01

    The fugacity coefficients of hydrogen in binary mixtures with ethane were measured. Data were taken using an experimental chamber which is divided into two regions by a semipermeable membrane through which hydrogen, but not ethane, can penetrate. The measurement of the gas pressures inside and outside the membrane gives the hydrogen component fugacity at a given temperature, binary mixture mole fraction, and mixture pressure. In this paper, results are reported at mixture pressures of 5.25, 6.97, 10.21, and 13.47 MPa. In each case, the temperature of the mixture was maintained at an average value of 130°C (403.15 K). The general qualitative features of the data are discussed, and comparisons are made with predictions obtained from the Redlich-Kwong and Peng-Robinson equations of state.

  3. 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.

  4. 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.

  5. Does the vertical profile of ethane contain more insight into mixing layer height than carbon monoxide?

    NASA Astrophysics Data System (ADS)

    Herndon, Scott; Yacovitch, Tara; Pusede, Sally; Diskin, Glenn; DiGangi, Joshua; Sachse, Glenn; Crawford, James

    2015-04-01

    To improve the interpretation of satellite data measurements near the surface, the DISCOVER-AQ project embarked on a four year campaign to produce an integrated dataset of airborne and surface based measurements at various locations in North America. One of the key metrics when pursuing the the goal of measuring the surface air quality from space is the mixing layer height. The measurement phase in 2014 included the novel 1-Hz Aerodyne Research, Inc. fast Ethane Spectrometer to distinguish the methane emissions from thermogenic (oil&gas) and biogenic sources in the Denver-Julesberg basin. A second potential use of ethane as a determinant of mixing layer height is revealed in the analysis of 213 vertical profiles collected at 7 points during 21 flights. The findings are evaluated relative to other in-situ metrics, such as carbon monoxide and remote sensing attributions of mixing layer height.

  6. Methane and Ethane Measurements from a New TCCON Station in Los Angeles

    NASA Astrophysics Data System (ADS)

    Wunch, D.; Roehl, C. M.; Blavier, J. L.; Allen, N.; Treffers, R.; Toon, G. C.; Wennberg, P. O.

    2012-12-01

    The Los Angeles urban region emits large amounts of methane (~0.44Tg/year) into the atmosphere. It is currently unclear exactly how much of this is biogenic (landfills, cattle), and how much is from natural gas (natural seeps or fugitive emissions from the natural gas infrastructure). Since natural gas contains ethane, whereas biogenic emissions contain none, simultaneous measurements of ethane and methane offer the possibility of separating the biogenic versus natural gas emissions of methane. We investigate this using total column measurements from a new Total Carbon Column Observing Network (TCCON) remote sensing station in the Los Angeles suburb of Pasadena, which began measurements in July 2012. These measurements will be put into the context of historical remote sensing and in situ measurements described by Wennberg et al., 2012 (doi:10.1021/es301138y).

  7. 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.

  8. 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.

  9. Neuroendocrine effects of perfluorooctane sulfonate in rats.

    PubMed Central

    Austin, Maureen E; Kasturi, Badrinarayanan S; Barber, Matthew; Kannan, Kurunthachalam; MohanKumar, Puliyur S; MohanKumar, Sheba M J

    2003-01-01

    Perfluorooctane sulfonate (PFOS) is a degradation product of sulfonyl-based fluorochemicals that are used extensively in industrial and household applications. Humans and wildlife are exposed to this class of compounds from several sources. Toxicity tests in rodents have raised concerns about potential developmental, reproductive, and systemic effects of PFOS. However, the effect of PFOS on the neuroendocrine system has not been investigated thus far. In this study, adult female rats were injected intraperitoneally with 0, 1, or 10 mg PFOS/kg body weight (BW) for 2 weeks. Food and water intake, BW, and estrous cycles were monitored daily. At the end of treatment, PFOS levels in tissues were measured by high-performance liquid chromatography (HPLC) interfaced with electrospray mass spectrometry. Changes in brain monoamines were measured by HPLC with electrochemical detection, and serum corticosterone and leptin were monitored using radioimmunoassay. Treatment with PFOS produced a dose-dependent accumulation of this chemical in various body tissues, including the brain. PFOS exposure decreased food intake and BW in a dose-dependent manner. Treatment with PFOS affected estrous cyclicity and increased serum corticosterone levels while decreasing serum leptin concentrations. PFOS treatment also increased norepinephrine concentrations in the paraventricular nucleus of the hypothalamus. These results indicate that exposure to PFOS can affect the neuroendocrine system in rats. PMID:12948888

  10. Fibronectin fibrillogenesis on sulfonated polystyrene surfaces.

    PubMed

    Pernodet, Nadine; Rafailovich, Miriam; Sokolov, Jonathan; Xu, D; Yang, Nan-Loh; McLeod, Kenneth

    2003-03-15

    Extracellular matrix (ECM) protein adsorption and organization serves as a critical first step in the development and organization of tissues. Advances in tissue engineering, therefore, will depend on the ability to control the rate and pattern of ECM formation. Fibronectin is a prominent component of the ECM, which undergoes fibrillogenesis in the presence of cells. Using sulfonated polysyrene surfaces, we showed that fibronectin undergoes a transition from monolayer to multilayer adsorption at calculated surface charge densities above 0.03 Coulombs (C)/m(2). At charge densities above approximately 0.08 C/m(2), distinct fibronectin fibrillar networks are observed to form with a fibril morphology similar to those observed to form in situ on cell surfaces. This self-organization process is time dependent, with the fibrils achieving dimensions of 30-40 microm in length and 1 microm in height after 72 h of incubation. We suggest that the polarization of charge domains on the polyampholytic fibronectin molecules near high charge density surfaces is sufficient to initiate the multilayer adsorption and the organization of these fibrillar structures. These results suggest that the nonlinear dependence of adsorption on surface charge density may play an important role in the self-organization of many matrix components.

  11. Photoinduced ethane formation from reaction of ethene with matrix-isolated Ti, V, or Nb atoms.

    PubMed

    Thompson, Matthew G K; Parnis, J Mark

    2005-10-27

    The reactions of matrix-isolated Ti, V, or Nb atoms with ethene (C(2)H(4)) have been studied by FTIR absorption spectroscopy. Under conditions where the ethene dimer forms, metal atoms react with the ethene dimer to yield matrix-isolated ethane (C(2)H(6)) and methane. Under lower ethene concentration conditions ( approximately 1:70 ethene/Ar), hydridic intermediates of the types HMC(2)H(3) and H(2)MC(2)H(2) are also observed, and the relative yield of hydrocarbons is diminished. Reactions of these metals with perdeuterioethene, and equimolar mixtures of C(2)H(4) and C(2)D(4), yield products that are consistent with the production of ethane via a metal atom reaction involving at least two C(2)H(4) molecules. The absence of any other observed products suggests the mechanism also involves production of small, highly symmetric species such as molecular hydrogen and metal carbides. Evidence is presented suggesting that ethane production from the ethene dimer is a general photochemical process for the reaction of excited-state transition-metal atoms with ethene at high concentrations of ethene.

  12. 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.

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

    USGS Publications Warehouse

    Clark, Gregory M.; Goolsby, Donald 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.

  14. 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.

  15. Estimates of methane and ethane emissions from the Texas Barnett Shale

    NASA Astrophysics Data System (ADS)

    Karion, A.; Sweeney, C.; Yacovitch, T.; Petron, G.; Wolter, S.; Conley, S. A.; Hardesty, R. M.; Brewer, A.; Kofler, J.; Newberger, T.; Herndon, S.; Miller, B. R.; Montzka, S. A.; Rella, C.; Crosson, E.; Tsai, T.; Tans, P. P.

    2013-12-01

    The recent development of horizontal drilling technology by the oil and gas industry has dramatically increased onshore U.S. natural gas and oil production in the last several years. This production boom has led to wide-spread interest from the policy and scientific communities in quantifying the climate impact of the use of natural gas as a replacement for coal. Because the primary component of natural gas is methane, a powerful greenhouse gas, natural gas leakage into the atmosphere affects its climate impact. Several recent scientific field studies have focused on using atmospheric measurements to estimate this leakage in different producing basins. Methane can be measured precisely with commercial analyzers, and deployment of such analyzers on aircraft, coupled with meteorological measurements, can allow scientists to estimate emissions from regions of concentrated production. Ethane and other light hydrocarbons, also components of raw gas, can be used as tracers for differentiating natural gas emissions from those of other methane sources, such as agriculture or landfills, which do not contain any non-methane hydrocarbons such as ethane. Here we present results from one such field campaign in the Barnett Shale near Fort Worth, Texas, in March 2013. Several 4-hour flights were conducted over the natural gas and oil production region with a small single-engine aircraft instrumented with analyzers for measuring ambient methane, carbon monoxide, carbon dioxide, and ethane at high frequencies (0.3-1Hz). The aircraft also measured horizontal winds, temperature, humidity, and pressure, and collected whole air samples in flasks analyzed later for several light hydrocarbons. In addition to the aircraft, a ground-based High-Resolution Doppler Lidar was deployed in the basin to measure profiles of horizontal winds and estimate the boundary layer height 24 hours a day over the campaign period. The aircraft and lidar measurements are used together to estimate methane and

  16. Devopmental toxicity of perfluorooctane Sulfonate (PFOS) is ...

    EPA Pesticide Factsheets

    Perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA) are members of a family of perfluorinated compounds. Both are environmentally persistent and found in the serum of wildlife and humans. PFOS and PFOA are developmentally toxic in laboratory rodents. Exposure to these chemicals in utero delays development and reduces postnatal survival and growth. Exposure to PFOS on the last 4 days of gestation in the rat is sufficient to reduce neonatal survival. PFOS and PFOA are weak agonists of PPARα. The reduced postnatal survival of neonatal mice exposed to PFOA was recently shown to depend on expression of PPARα. This study used PPARα knockout (KO) and 129S1/SvlmJ wild type (WT) mice to determine if PPARα expression is required for the developmental toxicity of PFOS. After mating overnight, the next day was designated gestation day (GD) 0. WT females were weighed and dosed orally from GD15-18 with 0.5% Tween-20, 4.5, 6.5, 8.5, or 10.5 mg PFOS/kg/day. KO females were dosed with water, 8.5 or 10.5 mg PFOS/kg/day. Dams and pups were observed daily and pups were weighed on postnatal day (PND) 1 and PND15. Eye opening was recorded from PND12-15. Dams and pups were killed on PND15, body and liver weights recorded, and serum collected. PFOS did not affect maternal weight gain or body or liver weights of the dams on PND15. Neonatal survival (PND1-15) was significantly reduced by PFOS in both WT and KO litters at all doses. WT and KO pup birth weight and wei

  17. 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.

  18. 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.

  19. Uptake of cationic dyes by sulfonated coal: Sorption mechanism

    SciTech Connect

    Mittal, A.K.; Venkobachar, C.

    1996-04-01

    Mechanistic aspects of sorption of Rhodamine B and Methylene Blue by sulfonated coal have been investigated. The coal surface before and after sulfonation has been characterized with the help of cation-exchange capacity measurements and infrared (IR) spectroscopy. These studies indicate that sulfuric acid treatment not only incorporates a SO{sub 3}H group on the coal surface but also oxidizes both aliphatic and aromatic fractions. The IR spectroscopy has been extensively applied to locate the active sites on the surface of the sorbent and the participating functional groups of the dye molecule. Graphical models of the sorbate-sorbent interaction have been proposed. These models are applied to explain the variation in the uptake potential of these dyes by sulfonated coal.

  20. Surface Sulfonation of Polyvinyl Chloride by Plasma for Antithrombogenicity

    NASA Astrophysics Data System (ADS)

    Liu, Peng; Chen, Yashao

    2004-06-01

    To enhance the blood compatibility of Polyvinyl Chloride (PVC) film, the film was modified by SO2/O2 gas plasma treatment. The effect of surface sulfonation of PVC treated by various SO2/O2 gas plasma depended on the volume ratio O2/(SO2 + O2). When the volume ratio was 0.5, the effect of sulfonation was the best. Sulfonic acid groups were specifically and efficiently introduced onto the PVC surface, which was proved by x-ray photoelectron spectroscopy (XPS) and Attenuated Total Reflectance Fourier Transfer Infrared (ATR-FTIR) spectroscopy. The surface microstructure of modified PVC film was studied with scanning electron microscopy (SEM). The antithrombogenicity of the samples was determined by the activated partial thromboplastin time (APTT), prothrombin time (PT), thrombin time (TT) and plasma recalcification time (PRT) tests and platelet adhesion experiment. The results indicated that the antithrombogenicity of modified PVC was improved remarkably.

  1. Immobilisation of fully sulfonated polyaniline on nanostructured calcium silicate.

    PubMed

    Borrmann, Thomas; Dominis, Anton; McFarlane, Andrew J; Johnston, James H; Richardson, Michael J; Kane-Maguire, Leon A P; Wallace, Gordon G

    2007-12-01

    Up to 7.4% (w/w) of the sulfonated polyaniline, poly(2-methoxyaniline-5-sulfonic acid) (PMAS) can be absorbed onto nanostructured calcium silicates. Spectroscopic and leaching studies on the novel PMAS-silicate nanocomposites obtained indicate that attachment of the PMAS occurs via electrostatic binding of PMAS sulfonate groups to Ca2+ sites on the silicates. The surface area and pore volume of the nanocomposites are comparable to those of pure silicate and increase the surface area of the PMAS polymer by several orders of magnitude. The PMAS emeraldine salt in the nanocomposites retains its chemical reactivity, being readily oxidised and reduced to its pernigraniline and leucoemeraldine forms, respectively. The conductivity of the composite is comparable to that of the pure PMAS, several orders of magnitude higher than that of dried nanostructured calcium silicate.

  2. Viscoelastic and Transport Properties of Sulfonated PS-PIB-PS Block Copolymers

    DTIC Science & Technology

    2001-05-01

    000 1200 Time (min) Figure 13. IR intensity vs. time for ethanol through three sulfonated P5-PIB- PS membranes. Figure 14 shows a comparison of four ...sulfonated PS -PIB- PS membrane. Table 1 shows a comparison of the equilibrium sorbtion values for the four alcohols in the sulfonated PS -PIB- PS . Table 1...Army Research Laboratory Aberdeen Proving Ground, MD 21005-5069 ARL-TR-2482 May2001 Viscoelastic and Transport Properties of Sulfonated PS -PIB- PS

  3. 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.

  4. 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.

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 40 CFR 721.10633 - Aromatic sulfonic acid amino azo dye salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 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...

  12. 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...

  13. 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...

  14. 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)...

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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)...

  20. 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...

  1. 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...

  2. 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...

  3. 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...

  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 721.5425 - 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...

  6. 78 FR 62443 - Perfluoroalkyl Sulfonates and Long-Chain Perfluoroalkyl Carboxylate Chemical Substances; Final...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-22

    ... AGENCY 40 CFR Parts 9 and 721 RIN 2070-AJ95 Perfluoroalkyl Sulfonates and Long-Chain Perfluoroalkyl... new use rule (SNUR) for perfluoroalkyl sulfonate (PFAS) chemical substances to add PFAS chemical... general category of perfluorinated sulfonate chemical substances of any chain ] length. The PFAS...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  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 721.9620 - 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...

  16. 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...

  17. 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...

  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 721.5450 - 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...

  20. 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...

  1. 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...

  2. 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...

  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, 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...

  5. Chemical Agent Performance of Sulfonated Ionomeric Membranes for Chem/Bio Applications

    DTIC Science & Technology

    2008-12-01

    Polyisobutylene ( PIB ) Chemically Modified IB Sulfonic Acid Counter-ion (Ba, Mg, Ca, Zn, Cs)Block Copolymer Morphology Sulfonic acid...Mauritz, K., 2000: Diffusion of Alcohols Through Sulfonated PS/ PIB /PS Block Copolymers Using FTIR-ATR Spectroscopy, Polymer Materials: Engineering

  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 721.10564 - 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...

  8. 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...

  9. 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...

  10. 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...

  11. 40 CFR 721.10487 - Alkylbenzenes sulfonic acids, metal salts (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Alkylbenzenes sulfonic acids, metal... 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)...

  12. 40 CFR 721.10487 - Alkylbenzenes sulfonic acids, metal salts (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Alkylbenzenes sulfonic acids, metal... 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)...

  13. 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.

  14. Liquid-state theory of hydrocarbon-water systems: Application to methane, ethane, and propane

    SciTech Connect

    Lue, L.; Blankschtein, D.

    1992-10-15

    The authors studied the structural and bulk thermodynamic properties of hydrocarbon (methane, ethane, and propane)-water systems as well as pure water using the site-site Ornstein-Zernike (SSOZ) equation under a variety of different closure relations in order to compare the quantitative predictive capabilities of the various closures. For the hydrocarbon-water systems, the simple point-charge(SPC) potential was used to model water, and the optimized potentials for liquid, simulation (OPLS) were used to model the hydrocarbons. 69 refs., 11 figs., 8 tabs.

  15. A study of ethane on Saturn in the 3 micron region

    NASA Astrophysics Data System (ADS)

    Bjoraker, G. L.; Larson, H. P.; Fink, U.

    1981-09-01

    C2H6 has been detected in absorption on Saturn from 3-micron airborne spectra. Based on comparisons with laboratory spectra of C2H6, the ethane abundance has been estimated at 7.5 plus or minus 3.5 cm-amagat, equivalent to a column abundance of 3.0 plus or minus 1.4 cm-amagat. The results support expectations that CH4 photolysis is a major disequilibrating mechanism in the upper atmosphere of the outer planets and Titan.

  16. Synthesis and crystal structure of 1,1'-Bis(2-bromobenzoyl thioureido)ethane

    NASA Astrophysics Data System (ADS)

    Abosaadiya, Salima M.; Yamin, Bohari M.; Hasbullah, Aishah

    2016-11-01

    1,1'-Bis(2-bromobenzoylthioureido)ethane was synthesized from the reaction of 2-bromobenzoylisothiocyanate and ethylenediamine in acetonitrile. The compound was characterized by FT-IR, 1H, and 13C NMR spectroscopy techniques. Furthermor compound was found to crystallized in monoclinic system with space group of P2(1)/c. In each thiourea moiety the thiono group is trans to the benzoyl across their C-N bonds. The crystal structures are stabilized by N-H...S intermolecular hydrogen bonds to form infinite two dimensional network.

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

    SciTech Connect

    Vitale, Steven 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.

  18. Bottom-up simulations of methane and ethane emissions from global oil and gas systems 1980 to 2012

    NASA Astrophysics Data System (ADS)

    Höglund-Isaksson, Lena

    2017-02-01

    Existing bottom-up emission inventories of methane from global oil and gas systems do not satisfactorily explain year-on-year variation in atmospheric methane estimated by top-down models. Using a novel bottom-up approach this study quantifies and attributes methane and ethane emissions from global oil and gas production from 1980 to 2012. Country-specific information on associated gas flows from published sources are combined with inter-annual variations in observed flaring of associated gas from satellite images from 1994 to 2010, to arrive at country-specific annual estimates of methane and ethane emissions from flows of associated gas. Results confirm trends from top-down models and indicate considerably higher methane and ethane emissions from oil production than previously shown in bottom-up inventories for this time period.

  19. 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.

  20. Homolytic C-O cleavage in phosphates and sulfonates.

    PubMed

    Ding, Lanlan; Zheng, Wenrui; Wang, Yingxing

    2015-04-09

    The C-O homolytic bond dissociation enthalpies(BDEs) were calculated by high-level ab initio including G4, G3B3, G3, CBS-QB3 and a series of density function theory (DFT) methods. It is found that the wB97 method gave the most reliable C-O BDEs and the root-mean-square deviation (RMSD) is 7.6 kJ/mol. Therefore, the C(sp(2))-O BDE predictions and the substituent effects of alkenyl phosphates/sulfonates and aryl phosphates/sulfonates were investigated in detail by using the wB97 method. Interestingly, there exist different substituent effects in α- and β-substituted alkenyl phosphates/sulfonates. Excellent linear relationships between the C-O BDEs of β-substituted alkenyl phosphates/sulfonates with substituent constant σp(+) were found. In addition, the NBO analysis further disclosed the essence of the substituent effects on C-O BDEs.

  1. Sulfonated polysulfone battery membrane for use in corrosive environments

    DOEpatents

    Arnold, Jr., Charles; Assink, Roger

    1987-01-01

    For batteries containing strong oxidizing electrolyte and a membrane separating two electrolyte solutions, e.g., a zinc ferricyanide battery, an improved membrane is provided comprising an oxidative resistant, conductive, ion-selective membrane fabricated from a catenated aromatic polymer having an absence of tertiary hydrogens, e.g., a sulfonated polysulfone.

  2. 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.

  3. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ....2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Components of Articles Intended for Repeated Use § 177.2500 Polyphenylene sulfone resins. The polyphenylene... articles or components of articles intended for repeated use in contact with food, subject to...

  4. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ....2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Components of Articles Intended for Repeated Use § 177.2500 Polyphenylene sulfone resins. The polyphenylene... articles or components of articles intended for repeated use in contact with food, subject to...

  5. 21 CFR 177.2500 - Polyphenylene sulfone resins.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ....2500 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED... Components of Articles Intended for Repeated Use § 177.2500 Polyphenylene sulfone resins. The polyphenylene... articles or components of articles intended for repeated use in contact with food, subject to...

  6. 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...

  7. 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.

  8. 40 CFR 721.1625 - Alkylbenzene sulfonate, amine salt.

    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 § 721.1625 Alkylbenzene sulfonate, amine salt. Link to an amendment published at 79 FR 34636, June 18, 2014. (a) Chemical substance and significant new uses subject to reporting. (1) The...

  9. 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...

  10. 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,...

  11. 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,...

  12. 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,...

  13. 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,...

  14. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst (Trifluoromethane sulfonic... catalyst meets the following specifications: Appearance, Clear liquid. Color, Colorless to amber... esterification reaction is quenched with steam and water and the catalyst is removed with the aqueous...

  15. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst (Trifluoromethane sulfonic acid) may safely be used in the... chapter) in accordance with the following conditions: (a) The catalyst meets the following specifications... steam and water and the catalyst is removed with the aqueous phase. Final traces of catalyst are...

  16. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst (Trifluoromethane... catalyst meets the following specifications: Appearance, Clear liquid. Color, Colorless to amber... esterification reaction is quenched with steam and water and the catalyst is removed with the aqueous...

  17. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst (Trifluoromethane... catalyst meets the following specifications: Appearance, Clear liquid. Color, Colorless to amber... esterification reaction is quenched with steam and water and the catalyst is removed with the aqueous...

  18. 21 CFR 173.395 - Trifluoromethane sulfonic acid.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... sulfonic acid has the empirical formula CF3SO3H (CAS Reg. No. 1493-13-6). The catalyst (Trifluoromethane... catalyst meets the following specifications: Appearance, Clear liquid. Color, Colorless to amber... esterification reaction is quenched with steam and water and the catalyst is removed with the aqueous...

  19. 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...

  20. 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

  1. Experimental study of surface tension of ethane-methane solution in temperature range 213-283 K

    NASA Astrophysics Data System (ADS)

    Andbaeva, V. N.; Khotienkova, M. N.

    2013-09-01

    The differential variation of the method of capillary rise was used to measure the capillary constant and to determine the surface tension of ethane-methane solution at "high" temperatures. Measurements were performed on the isotherms in the range of temperatures 213.15 ÷ 283.15 K at pressures up to 4 MPa. Decrease of ethane surface tension with the increase of pressure and concentration of methane in the solution is shown. The experimental data are compared with the results of surface tension calculation according to Rowlinson theory. Methane adsorption in the interface layer of solution is calculated.

  2. 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.

  3. 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

  4. Decay rate of critical fluctuations in ethane+carbon dioxide mixtures near the critical line including the critical azeotrope

    SciTech Connect

    Chang, R.F.; Doiron, T.; Pegg, I.L.; Hanley, H.J.M.; Cezairliyan, A.

    1986-03-01

    Using the technique of photon correlation spectroscopy we have measured the decay rate of critical fluctuations in mixtures of ethane and carbon dioxide of various compositions including a near-azeotropic mixture. Our experimental data indicate that there is only one dominant mode of fluctuations and the decay rate is well described by the predictions of the mode-coupling theory with the exponent v=0.63 for all compositions. The decay rate, its background contributions, the shear viscosity, and the correlation length for the mixtures appear to interpolate simply between those of ethane and carbon dioxide.

  5. 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

    2015-01-01

    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.

  6. Effect of unsaturation on the absorption of ethane and ethylene in imidazolium-based ionic liquids.

    PubMed

    Moura, Leila; Mishra, Manas; Bernales, Varinia; Fuentealba, Patricio; Padua, Agilio A H; Santini, Catherine C; Costa Gomes, Margarida F

    2013-06-20

    The influence of the presence of imidazolium side chain unsaturation on the solubility of ethane and ethylene was studied in three ionic liquids: 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide-saturated alkyl side-chain in the cation; 1-methyl-3-(buten-3-yl)imidazolium bis(trifluorosulfonyl)imide-double bond in the side-chain of the cation; and 1-methyl-3-benzylimidazolium bis(trifluorosulfonyl)imide-benzyl group in the side-chain of the cation. The solubility of both gases decreases when the side-chain of the cations is functionalized with an unsaturated group. This can be explained by a less favorable enthalpy of solvation. The difference of solubility between ethane and ethylene can be explained from a balance of enthalpic and entropic factors: for the ionic liquid with the saturated alkyl side-chain and the benzyl-substituted side-chain, it is the favorable entropy of solvation that explains the larger ethylene solubility, whereas in the case of the saturated side-chain, it is the more favorable enthalpy of solvation. Molecular simulation allowed the identification of the mechanisms of solvation and the preferential solvation sites for each gas in the different ionic liquids. Simulations have shown that the entropy of solvation is more favorable when the presence of the gas weakens the cation-anion interactions or when the gas can be solvated near different sites of the ionic liquid.

  7. Numerical Study of Contaminant Effects on Combustion of Hydrogen, Ethane, and Methane in Air

    NASA Technical Reports Server (NTRS)

    Lai, H. T.; Thomas, S. R.

    1995-01-01

    A numerical study was performed to assess the effects of vitiated air on the chemical kinetics of hydrogen, ethane, and methane combustion with air. A series of calculations in static reacting systems was performed, where the initial temperature was specified and reactions occurred at constant pressure. Three different types of test flow contaminants were considered: NP, H2O, and a combustion of H2O and CO2. These contaminants are present in the test flows of facilities used for hypersonic propulsion testing. The results were computed using a detailed reaction mechanism and are presented in terms of ignition and reaction times. Calculations were made for a wide range of contaminant concentrations, temperatures and pressures. The results indicate a pronounced kinetic effect over a range of temperatures, especially with NO contamination and, to a lesser degree, with H2O contamination. In all cases studied, CO2 remained kinetically inert, but had a thermodynamic effect on results by acting as a third body. The largest effect is observed with combustion using hydrogen fuel, less effect is seen with combustion of ethane, and little effect of contaminants is shown with methane combustion.

  8. 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.

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

    NASA Astrophysics Data System (ADS)

    Ercolani, Gianfranco

    2005-11-01

    In a previous article in this Journal ( J. Chem. Educ. 2000 , 77 , 1495 ) we introduced a numerical method, namely, the finite-difference boundary-value method, for the solution of the one-dimensional Schrödinger equation and illustrated its application to the evaluation of energy levels and wave functions for hindered internal rotations. Here the method is used to determine, in combination with vibrational spectroscopy and statistical thermodynamics, the torsional potential in ethane. In particular two distinct approaches have been exploited: the first approach is based on the experimental frequency of torsional mode, and the second, less direct but historically more relevant, approach is based on the experimental heat capacity of ethane at various temperatures and on the frequencies of the other normal modes of vibration. The two approaches provide energy barriers in good agreement with each other, 12.35 and 11.74 kJ mol 1 , respectively, and with the literature values. It is shown that the finite-difference boundary-value method, providing a great number of accurate energy levels, is ideally suited for the calculation of both energy transitions and the partition function for internal rotation. The latter is used to calculate the contribution of torsional mode to thermodynamic functions, such as heat capacity, entropy, and enthalpy. The results are in excellent agreement with those obtained from the tables of Pitzer (Lewis, G. N.; Randall, M.; Pitzer, K. S.; Brewer, L. Thermodynamics , 2nd ed.; McGraw-Hill: New York, 1961; Chapter 27).

  10. Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry.

    PubMed

    Ruscic, Branko

    2015-07-16

    Active Thermochemical Tables (ATcT) thermochemistry for the sequential bond dissociations of methane, ethane, and methanol systems were obtained by analyzing and solving a very large thermochemical network (TN). Values for all possible C-H, C-C, C-O, and O-H bond dissociation enthalpies at 298.15 K (BDE298) and bond dissociation energies at 0 K (D0) are presented. The corresponding ATcT standard gas-phase enthalpies of formation of the resulting CHn, n = 4-0 species (methane, methyl, methylene, methylidyne, and carbon atom), C2Hn, n = 6-0 species (ethane, ethyl, ethylene, ethylidene, vinyl, ethylidyne, acetylene, vinylidene, ethynyl, and ethynylene), and COHn, n = 4-0 species (methanol, hydroxymethyl, methoxy, formaldehyde, hydroxymethylene, formyl, isoformyl, and carbon monoxide) are also presented. The ATcT thermochemistry of carbon dioxide, water, hydroxyl, and carbon, oxygen, and hydrogen atoms is also included, together with the sequential BDEs of CO2 and H2O. The provenances of the ATcT enthalpies of formation, which are quite distributed and involve a large number of relevant determinations, are analyzed by variance decomposition and discussed in terms of principal contributions. The underlying reasons for periodic appearances of remarkably low and/or unusually high BDEs, alternating along the dissociation sequences, are analyzed and quantitatively rationalized. The present ATcT results are the most accurate thermochemical values currently available for these species.

  11. Structural study and wetting behavior of ethane and tetrafluoromethane thick films adsorbed on graphite (0001)

    NASA Astrophysics Data System (ADS)

    Gay, Jean-Marc; Suzanne, Jean; Pepe, Gérard; Meichel, Thierry

    1988-10-01

    We present a quantitative study of the diffraction patterns (LEED, RHEED and neutron) of ethane and tetrafluoromethane thick films adsorbed on graphite (0001). We propose to interpret the streak-like RHEED patterns of C 2H 6 and CF 4 with tabular crystallites epitaxially grown on the thin underlying film. The growth of flat ethane crystallites is explained by a partial agreement of the lattice parameters, the symmetry and the molecule orientations between the bilayer structure deduced from static energy calculations and the structure within the 3D (011) plane which appears as the interfacial plane. The change in the CF 4 RHEED pattern observed at T = 37 K and previously considered as the signature of a wetting transition might be due to a change of interfacial plane. It could be the 3D (100) or (001) plane in which a hexagonal or quasi-hexagonal symmetry in the molecule packing appears for T > 37 K. At lower temperature, T < 37 K, this symmetry could be lost with the (101¯) interfacial plane which presents a quasi-square molecule packing. We would like to emphasize the caution necessary for interpreting RHEED results. The determination of the growth mode requires the combination of different methods of measurements in order to draw conclusions without ambiguities. These two molecular systems show rather well the difficulties for interpreting experimental results on the wetting phenomenon.

  12. 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.

  13. Comparative study of two theoretical models of methane and ethane steam reforming process

    NASA Astrophysics Data System (ADS)

    Brus, Grzegorz; Kaczmarczyk Marcin Tomiczek, Robert; Mozdzierz, Marcin

    2016-09-01

    From the chemical point of view the reforming process of heavy hydrocarbons such as Associated Petroleum Gas (APG) is very complex. One of the main issue is a set of undesired chemical reactions that causes deposition of solid carbon and consequently block catalytic property of a reactor. The experimental investigation is crucial to design APG reforming reactors. However, the experiment needs to be preceded by careful thermodynamical analysis to design safe operation conditions. In case of small number of reactants and reactions such as in case of steam reforming of pure methane, the problem can be solved by treating each equilibrium reaction constant as an element of the system of non-linear equations. The system of equations can be solved by Newton-Raphson method. However in case of large number of reactants and reaction, such as in case of APG reforming this method is inefficient. A large number of strongly non-linear equations leads often to converge problem. In this paper the authors suggest to use different approach called Parametric Equation Method. In this method a system of non-linear equations is replaced by a set of single non-linear equations solved separately. The methods were used to simulate steam reforming of methane-ethane rich fuel. The results of computations from both methods were juxtaposed and comparative study were conducted. Finally safe operation conditions for steam reforming of methane-ethane fuel were calculated and presented.

  14. 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.

  15. 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.

  16. An ab initio study of muons in ethanal

    NASA Astrophysics Data System (ADS)

    Probert, M. I. J.; Fisher, A. J.

    1997-04-01

    Ab initio density functional theory calculations for ethanal and muonium, using the projector augmented-wave technique, are described. The potential binding sites for the muonium are evaluated from total-energy-minimization calculations. At these preferred sites the associated (bond-stretching) vibrational frequencies, Einstein coefficients and isotropic hyperfine coupling constants are then calculated. It is found that the hyperfine parameter at each site depends on the vibrational state, and so muon vibrational spectroscopy of ethanal is predicted to be possible. The effect of a rigid-muonium-bond rotation is also considered. It is found that this can change the sign of the predicted hyperfine coupling constant at certain sites, which is necessary to get reasonable agreement with experimental values. The temperature dependence of the hyperfine coupling constant was calculated from a Boltzmann population of rotational states. This was found to be insufficient to explain the experimentally observed temperature dependence. This is probably due to the neglect of coupling between vibrational and rotational modes. Therefore this common interpretation of the experimental temperature dependence of the hyperfine coupling constant must be reconsidered.

  17. 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...

  18. 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...

  19. 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

  20. 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

  1. 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, ...

  2. 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; ...

    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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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,...

  8. Degradation of Alkyl Benzene Sulfonate by Pseudomonas Species1

    PubMed Central

    Horvath, R. S.; Koft, B. W.

    1972-01-01

    Pseudomonas sp. HK-1 showed a direct relation between the concentration of alkyl benzene sulfonate (ABS) supplied and cell yields. Since growth on ABS alone did not occur, it was necessary to correlate the total energy obtained by the cells to the ABS concentration when glucose was supplied in a limiting concentration. Several types of metabolic attack in addition to the sulfonate removal were noted: (i) side-chain utilization as indicated by the production of tertiarybutyl alcohol and isopropanol and (ii) ring metabolism as indicated by the presence of phenol, catechol, mandelic acid, benzyl alcohol, and benzoic acid in spent growth media. Utilization of ABS was greatly enhanced by the presence of phenol. This enhancement suggests co-metabolism and that limited concentrations of phenolic products derived from ABS must be accumulated to get active metabolism of the ABS molecule. PMID:5017680

  9. Electron microscope studies of overbased sulfonates with various cations

    SciTech Connect

    Mishunina, I.I.; Fialkovskii, R.V.; Mysak, N.P.; Romanyutina, L.V.

    1983-03-01

    This article examines overbased sulfonates containing anionic detergents with magnesium, calcium, strontium, or barium cations and the corresponding metal carbonates. Uses direct transmission microscopy, in which 2 planar coordinates of the object can be evaluated, to determine the dimensions of the inorganic part of the colloidal particles of the additives and to establish their geometric shape through projection on the plane (on the basis of which conclusions can be drawn as to the crystalline or amorphous structure of the solid phase). Finds that the different cations lead to changes in the colloidal structure of the additives. This is reflected in the dimensions of the micelle cores and of the adsorbed shells (with comparable total alkalinity of the additives and similar contents of neutral detergents in the hydroxide, and sulfonate per unit volume of additive, ultimately being reflected in the service properties of additives that are identical or very similar in characteristics but different in the particular metal cation.

  10. Permselectivity and conductivity of membranes based on sulfonated naphthalenic copolyimides.

    PubMed

    Guo, Xiaoxia; Zhai, Fengxia; Fang, Jianhua; Laguna, Maria Fe; López-Gonzalez, Mar; Riande, Evaristo

    2007-12-13

    A series of sulfonated diamines were synthesized which were further used to obtain relevant sulfonated naphthalenic copolyimides. Tough and ductile membranes were cast from solutions of the copolyimides in dimethylsulfoxide, which exhibit high ion-exchange capacity and high water uptake. The protonic conductivity of the membranes equilibrated with water lies in the range 1.0-8.6 S/m, at 25 degrees C, being of the same order of magnitude as that reported for perfluorinated acidic membranes. The values of the transport number of protons and sodium ions are close to the unit for very dilute electrolyte solutions, but they lie in the range 0.80-0.90 for moderate concentrations. The membranes exhibit rather high electroosmotic permeability. The similarity of the diffusion coefficients of protons and water in the membranes suggests that the Grottus mechanism governs the protonic conductive process in the acidic membranes equilibrated with water.

  11. 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.

  12. 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.

  13. Methane source identification in Boston, Massachusetts using isotopic and ethane measurements

    NASA Astrophysics Data System (ADS)

    Down, A.; Jackson, R. B.; Plata, D.; McKain, K.; Wofsy, S. C.; Rella, C.; Crosson, E.; Phillips, N. G.

    2012-12-01

    Methane has substantial greenhouse warming potential and is the principle component of natural gas. Fugitive natural gas emissions could be a significant source of methane to the atmosphere. However, the cumulative magnitude of natural gas leaks is not yet well constrained. We used a combination of point source measurements and ambient monitoring to characterize the methane sources in the Boston urban area. We developed distinct fingerprints for natural gas and multiple biogenic methane sources based on hydrocarbon concentration and isotopic composition. We combine these data with periodic measurements of atmospheric methane and ethane concentration to estimate the fractional contribution of natural gas and biogenic methane sources to the cumulative urban methane flux in Boston. These results are used to inform an inverse model of urban methane concentration and emissions.

  14. 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)].

  15. 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.

  16. 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

    2015-05-06

    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.

  17. Effect of maximal dynamic exercise on exhaled ethane and carbon monoxide levels in human, equine, and canine athletes.

    PubMed

    Wyse, Cathy; Cathcart, Andy; Sutherland, Rona; Ward, Susan; McMillan, Lesley; Gibson, Graham; Padgett, Miles; Skeldon, Kenneth

    2005-06-01

    Exercise-induced oxidative stress (EIOS) refers to a condition where the balance of free radical production and antioxidant systems is disturbed during exercise in favour of pro-oxidant free radicals. Breath ethane is a product of free radical-mediated oxidation of cell membrane lipids and is considered to be a reliable marker of oxidative stress. The heatshock protein, haem oxygenase, is induced by oxidative stress and degrades haemoglobin to bilirubin, with concurrent production of carbon monoxide (CO). The aim of this study was to investigate the effect of maximal exercise on exhaled ethane and CO in human, canine, and equine athletes. Human athletes (n = 8) performed a maximal exercise test on a treadmill, and canine (n = 12) and equine (n = 11) athletes exercised at gallop on a sand racetrack. Breath samples were taken at regular intervals during exercise in the human athletes, and immediately before and after exercise in the canine and equine athletes. Breath samples were stored in gas-impermeable bags for analysis of ethane by laser spectroscopy, and CO was measured directly using an electrochemical CO monitor. Maximal exercise was associated with significant increases in exhaled ethane in the human, equine, and canine athletes. Decreased concentrations of exhaled CO were detected after maximal exercise in the human athletes, but CO was rarely detectable in the canine and equine athletes. The ethane breath test allows non-invasive and real-time detection of oxidative stress, and this method will facilitate further investigation of the processes mediating EIOS in human and animal athletes.

  18. 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.

  19. Ethane in Planetary and Cometary Atmospheres: Transmittance and Fluorescence Models of the nu7 Band at 3.3 Micrometers

    NASA Technical Reports Server (NTRS)

    Villanueva, G. L.; Mumma, M. J.; Magee-Sauer, K.

    2011-01-01

    Ethane and other hydrocarbon gases have strong rovibrational transitions in the 3.3 micron spectral region owing to C-H, CH2, and CH3 vibrational modes, making this spectral region prime for searching possible biomarker gases in extraterrestrial atmospheres (e.g., Mars, exoplanets) and organic molecules in comets. However, removing ethane spectral signatures from high-resolution terrestrial transmittance spectra has been imperfect because existing quantum mechanical models have been unable to reproduce the observed spectra with sufficient accuracy. To redress this problem, we constructed a line-by-line model for the n7 band of ethane (C2H6) and applied it to compute telluric transmittances and cometary fluorescence efficiencies. Our model considers accurate spectral parameters, vibration-rotation interactions, and a functional characterization of the torsional hot band. We integrated the new band model into an advanced radiative transfer code for synthesizing the terrestrial atmosphere (LBLRTM), achieving excellent agreement with transmittance data recorded against Mars using three different instruments located in the Northern and Southern hemispheres. The retrieved ethane abundances demonstrate the strong hemispheric asymmetry noted in prior surveys of volatile hydrocarbons. We also retrieved sensitive limits for the abundance of ethane on Mars. The most critical validation of the model was obtained by comparing simulations of C2H6 fluorescent emission with spectra of three hydrocarbon-rich comets: C/2004 Q2 (Machholz), 8P/Tuttle, and C/2007 W1 (Boattini). The new model accurately describes the complex emission morphology of the nu7 band at low rotational temperatures and greatly increases the confidence of the retrieved production rates (and rotational temperatures) with respect to previously available fluorescence models.

  20. New Fluorinated and Sulfonated Block Copolymers Final Report

    DTIC Science & Technology

    2009-04-23

    serves as a plasticizer even in the hydrophobic FI domain. Similar glass transition reduction effects observed in other ionomer systems have been...Sulfonated Ionomer : Thermal Annealing and Solvent Effects.” American Physical Society National Meeting. Los Angeles, CA. March 21, 2005. 4. Akinbode...optimizing morphology and ultimately properties, membranes have been cast from relatively inexpensive block-copolymer ionomers of fluorinated poly

  1. The Snail-Induced Sulfonation Pathway in Breast Cancer Metastasis

    DTIC Science & Technology

    2013-07-01

    1 AD_________________ Award Number: W81XWH-11-1-0494 TITLE: The Snail -Induced Sulfonation...REPORT TYPE Annual 3. DATES COVERED 1 July 2012 - 30 June 2013 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER W81XWH-11-1-0494 The Snail -induced...support: 1. Further characterization of Tetracycline inducible WT Snail and mutant Snail vectors and cell lines. 2. Demonstration that the PAPSS2

  2. 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.

  3. 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).

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

    SciTech Connect

    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. 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 CO2ethane mixture. Activation energies extracted from the Arrhenius plots show the effects of CO2 addition on ethane mobility.

  5. 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.

  6. Electric current-producing device having sulfone-based electrolyte

    DOEpatents

    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.

  7. 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

  8. 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.

  9. 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.

  10. Toxicological properties and risk assessment of the anionic surfactants category: Alkyl sulfates, primary alkane sulfonates, and α-olefin sulfonates.

    PubMed

    Wibbertmann, Axel; Mangelsdorf, Inge; Gamon, Konrad; Sedlak, Richard

    2011-07-01

    The category of the anionic surfactants (ANS) consisting of 46 alkyl sulfates, 6 primary alkane sulfonates, and 9 α-olefin sulfonates has been assessed under the high production volume (HPV) chemicals program of the Organisation for Economic Cooperation and Development (OECD) in 2007. In this review the toxicological properties of these chemicals are summarized. The chemicals of this category are used predominantly in detergents, household cleaning products, and cosmetics. These chemicals show low acute and repeat dose toxicity. There was no evidence of genetic or reproductive toxicity, or carcinogenicity. There also was no indication for sensitizing properties. Skin and eye irritating effects in consumers are not to be expected. For consumers, the calculated body burden is about 10,000 times lower than the lowest NOAEL value in experimental animals, so that adverse effects caused by substances of the ANS category can be excluded.

  11. 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.

  12. First synthesis and antiprotozoal activities of divinyl sulfone-modified carbohydrates.

    PubMed

    Pal, Tarun Kumar; Dey, Tuli; Chakrabarty, Arindam; Dey, Debanjana; Ghosh, Sudip K; Pathak, Tanmaya

    2010-06-15

    Divinyl sulfone-modified carbohydrates have been synthesized for the first time by reacting easily available carbohydrate epoxides with thioethanol in a regiospecific fashion. One of the modified divinyl sulfones initiated significant cell death in Entamoeba species and the influence of the anomeric configurations on the biological activities of these sugar-derived divinyl sulfones has been highlighted. The most active compound in this series was found to be devoid of any toxicity.

  13. Penicillanic acid sulfone: nature of irreversible inactivation of RTEM beta-lactamase from Escherichia coli.

    PubMed

    Brenner, D G; Knowles, J R

    1984-11-20

    When penicillanic acid sulfone in large molar excess is incubated with the RTEM beta-lactamase, the enzyme becomes inactivated irreversibly. From studies of the consequential spectroscopic changes, from the use of specifically tritiated penicillanic acid sulfone, and from comparison by isoelectric focusing of the enzyme after inactivation by the sulfone and by clavulanic acid, the inactivated enzyme appears to be cross-linked by a beta-aminoacrylate fragment deriving from C-5, C-6, and C-7 of the original beta-lactam. Model studies on the behavior of alcoholic solutions of penicillanic acid sulfone in the presence of amines are entirely consistent with this interpretation.

  14. 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.

  15. Quinone-mediated decolorization of sulfonated azo dyes by cells and cell extracts from Sphingomonas xenophaga.

    PubMed

    Jiao, Ling; Lu, Hong; Zhou, Jiti; Wang, Jing

    2009-01-01

    The effects of various quinone compounds on the decolorization rates of sulfonated azo dyes by Sphingomonas xenophaga QYY were investigated. The results showed that anthraquinone-2-sulfonate (AQS) was the most effective redox mediator and AQS reduction was the rate-limited step of AQS-mediated decolorization of sulfonated azo dyes. Based on AQS biological toxicity tests, it was assumed that AQS might enter the cells and kill them. In the cytoplasmic extracts from strain QYY, AQS more effectively increased decolorization rates of sulfonated azo dyes than other quinone compounds. In addition, we found a NADH/FMN-dependent AQS reductase using nondenaturing polyacrylamide gel electrophoresis (Native-PAGE).

  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. Raman spectra of ethane adn ethylene adsorbed of surface of catalyst Sm 2 O 3/MgO at high temperatures

    NASA Astrophysics Data System (ADS)

    Bobrov, A. V.; Plate, S. E.; Kadushin, A. A.; Kimel'feld, Ya. M.; Seleznev, V. A.; Tulenin, Yu. P.

    1992-03-01

    Raman spectroscopy has been applied for the investigation in situ of catalytic transformations of ethane ethylene and deuterated ethylene on the surface of catalyst Sm 2O 3/MgO at high temperatures (up to 980 K). Ethane and ethylene are the products of the oxidation dehydration of methane. For the understanding of mechanism of this process it is interesting to study of the spectra of ethane and ethylene in the conditions of the real process at high temperature. In the previous paper [1] we have shown that during the flowring of mixture methane with oxygen through the catalyst Sm 2O 3/MgO methane dissociates on CH 3 and CH 2 groups. It has been confirmed by experiment with deuterated methane. The purpose of this work is to study the interaction of ethane and ethylene with Sm 2O 3/MgO in similar conditions by Raman spectroscopy.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. Efficient 1.5-μm Raman generation in ethane-filled hollow-core fiber

    NASA Astrophysics Data System (ADS)

    Chen, Yubin; Gu, Bo; Wang, Zefeng; Lu, Qisheng

    2016-11-01

    We demonstrated for the first time a novel and effective method for obtaining both high peak-power and narrow linewidth 1.5 μm fiber sources through gas Raman effect in hollow core fibers. An Ethane-filled ice-cream antiresonance hollow-core fiber is pumped with a high peak-power pulse 1064 nm microchip laser, generating 1552.7 nm Stokes wave by pure vibrational stimulated Raman scattering of ethane molecules. A maximum peak-power of about 400 kW is achieved with 6 meter fiber length at 2 bar pressure, and the linewidth is about 6.3 GHz. The maximum Raman conversion efficiency of 1064 nm to 1552.7 nm is about 38%, and the corresponding laser slope efficiency is about 61.5%.

  4. 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).

  5. Temperature dependence of carbon kinetic isotope effect for the oxidation reaction of ethane by OH radicals under atmospherically relevant conditions

    NASA Astrophysics Data System (ADS)

    Piansawan, Tammarat; Saccon, Marina; Laumer, Werner; Gensch, Iulia; Kiendler-Scharr, Astrid

    2015-04-01

    Modeling of the global distribution of atmospheric ethane sources and sinks by using the 13C isotopic composition requires accurate knowledge of the carbon kinetic isotope effect (KIE) of its atmospheric removal reactions. The quantum mechanical prediction implies the necessity to elucidate the temperature dependence of KIE within atmospherically relevant temperature range by experiment. In this study, the KIE and its temperature dependence for ethane oxidation by OH radicals was investigated at ambient pressure in a temperature range of 243 K to 303 K. The chemical reactions were carried out in a 15 L PFE reaction chamber, suspended in a thermally controlled oven. The isotope ratios of the gas phase components during the course of the reactions were measured by Thermal Desorption -- Gas Chromatography -- Isotope Ratio Mass Spectrometry (TD-GC-IRMS). For each temperature, the KIE was derived from the temporal evolution of the concentration and stable carbon isotope ratio (δ13C) of ethane using a method adapted from the relative reaction rate concept. The room temperature KIE of the ethane reaction with OH radicals was found to be 6.85 ± 0.32 ‰. This value is in agreement with the previously reported value of 8.57 ± 1.95 ‰ [Anderson et al. 2004] but has a substantially lower uncertainty. The experimental results will be discussed with the KIE temperature dependence predicted by quantum mechanical calculations. Reference: Rebecca S. Anderson, Lin Huang, Richard Iannone, Alexandra E. Thompson, and Jochen Rudolph (2004), Carbon Kinetic Isotope Effects in the Gas Phase Reactions of Light Alkanes and Ethene with the OH Radical at 296 ± 4 K, J. Phys. Chem. A, 108, 11537--11544

  6. Substituted ethan phosphonic acid esters as reagents for the separation of molybdenum from rhenium by solvent extraction.

    PubMed

    Jordanov, N; Mareva, S; Borisov, G; Jordanov, B

    1968-02-01

    New esters of the ethan phosphonic acids have been synthesized and their extraction properties studied with respect to Mo(VI), Re(VII), Fe(III),Au(III),Tl(III) and Sb(V). A possibility is shown for the analytical separation of molybdenum from rhenium (beta = 700). The state of these new extraction agents in carbon tetrachloride solution, and the mechanism of the extraction processes, have been investigated by means of infrared spectra.

  7. The SPASIBA force field of aldehydes. Part I: Structure and vibrational wavenumbers of methanal, ethanal and propanal

    NASA Astrophysics Data System (ADS)

    Zanoun, A.; Durier, V.; Belaidi, A.; Vergoten, G.

    1999-02-01

    The SPASIBA vibrational spectroscopic force field has been developed for the aldehyde function. The tested molecules are methanal, ethanal, propanal and some of their deuterated analogues. The parameters have been obtained by fitting calculated and observed vibrational wavenumbers. A set of 34 independant force constants has been found to correctly describe the structure and vibrational spectra. The average error between predicted and observed vibrational wavenumber is 16 cm -1.

  8. Polyether sulfone/hydroxyapatite mixed matrix membranes for protein purification

    NASA Astrophysics Data System (ADS)

    Sun, Junfen; Wu, Lishun

    2014-07-01

    This work proposes a novel approach for protein purification from solution using mixed matrix membranes (MMMs) comprising of hydroxyapatite (HAP) inside polyether sulfone (PES) matrix. The influence of HAP particle loading on membrane morphology is studied. The MMMs are further characterized concerning permeability and adsorption capacity. The MMMs show purification of protein via both diffusion as well as adsorption, and show the potential of using MMMs for improvements in protein purification techniques. The bovine serum albumin (BSA) was used as a model protein. The properties and structures of MMMs prepared by immersion phase separation process were characterized by pure water flux, BSA adsorption and scanning electron microscopy (SEM).

  9. 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.

  10. Absorption of nitrogen oxides by sulfoxides and sulfones

    SciTech Connect

    Bikbaeva, G.G.; Isyangil'dina, A.Kh.; Baranovskaya, E.M.; Nikitin, Yu.E.

    1986-10-10

    Petroleum sulfoxides (PSO) have high sorption capacity for NO/sub 2/. In view of their comparative availability and low cost, PSO may be of practical interest as absorbents for nitrogen oxides. At the same time, the properties of adducts formed by sulfoxides, both individual and from petroleum, with nitrogen oxides have been studies very little. In this work the methods of IR and UV spectroscopy were used for studying complex formation of nitrogen oxides with sulfoxides, and also with sulfones, obtained by oxidation of sulfoxides.

  11. Effect of water on overbased sulfonate engine oil additives.

    PubMed

    Tavacoli, J W; Dowding, P J; Steytler, D C; Barnes, D J; Routh, A F

    2008-04-15

    The presence and effect of water on calcium carbonate nanoparticles used in engine additives, stabilized with a sulfonate surfactant, is investigated using small-angle neutron scattering, dynamic light scattering, Fourier transform infrared spectroscopy, and rheometry. These techniques provide complementary data that suggests the formation of a layer of water around the core of the particles ensuring continued colloidal stability yet increasing the dispersion viscosity. Through the use of small-angle neutron scattering, the dimensions of this layer have been quantified to effectively one or two water molecules in thickness. The lack of a significant electrostatic repulsion is evidence that the water layer is insufficient to cause major dissociation of surface ions.

  12. Rh(III)-catalyzed synthesis of sultones through C-H activation directed by a sulfonic acid group.

    PubMed

    Qi, Zisong; Wang, Mei; Li, Xingwei

    2014-09-04

    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.

  13. 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.

  14. 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)...

  15. 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)...

  16. 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)...

  17. 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)...

  18. 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)...

  19. 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.

  20. Cationic and radical intermediates in the acid photorelease from aryl sulfonates and phosphates.

    PubMed

    Terpolilli, Marco; Merli, Daniele; Protti, Stefano; Dichiarante, Valentina; Fagnoni, Maurizio; Albini, Angelo

    2011-01-01

    The irradiation of a series of phenyl sulfonates and phosphates leads to the quantitative release of acidity with a reasonable quantum yield (≈0.2). Products characterization, ion chromatography analysis and potentiometric titration are consistent with the intervening of two different paths in this reaction, viz. cationic with phosphates and (mainly) radical with sulfonates.

  1. Coating of Sulfonic Silica onto Magnetite from Marina Beach Iron sand, Semarang, Indonesia

    NASA Astrophysics Data System (ADS)

    Azmiyawati, C.; Suyati, L.; Taslimah; Anggraeni, R. D.

    2017-02-01

    The mineral iron oxide is the main component of sand iron that are abundant in nature. Mineral iron oxide not yet widely applied into more useful products. The main component of iron ore is magnetite. Magnetite can be used as a basic ingredient in the manufacture of magnetite-modified silica adsorbent sulfonate. In this research, the adsorbent made from sulfonic functionalized silica-coated magnetic particle has been successfully produced, with the magnetite was obtained from iron sand at Marina Beach, Semarang Indonesia. This adsorbent was then used as a metal ion preconcentration media. From the research that it was found that the sulfonic has been bound to the silica marked by the emergence of element S on EDX. Whilst, the evidence that silica has coated on the magnetite could be seen from the SEM images which showed the morphology of sulfonic functionalized silica-coated magnetic particles were larger than the sulfonic functionalized silica without magnetite. From the DSC results showed that the addition of magnetite on sulfonic functionalized silica did not change the heat resistance of the sulfonic functionalized silica. Based on the XRD patterns show that magnetite sulfonate silica was formed.

  2. 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

  3. 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.

  4. 40 CFR 721.2565 - Alkylated sulfonated diphenyl oxide, alkali and amine salts.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ..., alkali and amine salts. 721.2565 Section 721.2565 Protection of Environment ENVIRONMENTAL PROTECTION... 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...

  5. 40 CFR 721.2565 - Alkylated sulfonated diphenyl oxide, alkali and amine salts.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ..., alkali and amine salts. 721.2565 Section 721.2565 Protection of Environment ENVIRONMENTAL PROTECTION... 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...

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

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ..., alkali and amine salts. 721.2565 Section 721.2565 Protection of Environment ENVIRONMENTAL PROTECTION... 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. 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).

  8. Wire chamber aging with CF/sub 4//isobutane and argon/ethane mixtures

    SciTech Connect

    Henderson, R.; Openshaw, R.; Faszer, W.; Salomon, M.; Salomons, G.; Sheffer, G.

    1988-02-01

    Using several identical test cells, the authors investigated the aging characteristics of CF/sub 4//Isobutane (80:20) and Argon/Ethane (50:50). The gas gain and gas flow rate were varied and the measurements extended beyond 6 Coulomb/cm of wire (C/cm). Study of a third gas mixture Ar/Eth/CF/sub 4/ (48:48:4) is at an early stage. The Ar/Eth mixture has shown a variety of problems including cathode foil etching, anode deposits, dark currents and pulse height degradation. In contrast the CF/sub 4//Iso mixture produced some cathode etching for low flow velocities and only very minor anode deposits. With very little pulse height degradation or dark current this mixture is an excellent candidate for a high rate chamber. A small area MWPC using this mixture has been evaluated in a pion beam with particle fluxes up to 3x10/sup 7/ particles/cm/sup 2/-sec.

  9. 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.

  10. 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.

  11. Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: Thiolated gold nanoparticles in ethane

    NASA Astrophysics Data System (ADS)

    Jabes, B. Shadrack; Yadav, Hari O. S.; Kumar, Sanat K.; Chakravarty, Charusita

    2014-10-01

    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.

  12. Triple Differential Cross Sections for single ionization of the Ethane molecule

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    We report experimental and theoretical results for electron-impact (e,2e) ionization of the Ethane molecule (C2H6) in the coplanar scattering geometry for four different ejected electron energies Ea = 5,10,15, and 20 eV respectively, and for each ejected electron energy, the projectile scattering angle is fixed at 10°. We will show that the TDCS is very sensitive for the case of two heavy nuclei surrounded by lighter H nuclei. On the theoretical side, we have used the M3DW coupled with the Orientation Averaged Molecular Orbital (OAMO) approximation and proper average (PA) over all orientations. These approximations show good agreement with experimental data for the binary peaks. However, for the recoil peak region, experiment finds a noticeable peak while theory predicts no peak. No recoil peak suggests no (or very weak) nuclear scattering, so we have investigated the importance of nuclear scattering by moving the nuclei closer to the center of mass. This work is supported by the US National Science Foundation under Grant No. PHY-1068237 and XSEDE resources provided by the Texas Advanced Computing Center (Grant No. TG-MCA07S029).

  13. Phase equilibria of the system methane-ethane from temperature scaling Gibbs Ensemble Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Zhang, Zhigang; Duan, Zhenhao

    2002-10-01

    A new technique of temperature scaling method combined with the conventional Gibbs Ensemble Monte Carlo simulation was used to study liquid-vapor phase equilibria of the methane-ethane (CH 4-C 2H 6) system. With this efficient method, a new set of united-atom Lennard-Jones potential parameters for pure C 2H 6 was found to be more accurate than those of previous models in the prediction of phase equilibria. Using the optimized potentials for liquid simulations (OPLS) potential for CH 4 and the potential of this study for C 2H 6, together with a simple mixing rule, we simulated the equilibrium compositions and densities of the CH 4-C 2H 6 mixtures with accuracy close to experiments. The simulated data are supplements to experiments, and may cover a larger temperature-pressure-composition space than experiments. Compared with some well-established equations of state such as Peng-Robinson equation of state (PR-EQS), the simulated results are found to be closer to experiments, at least in some temperature and pressure ranges.

  14. Fisher information and steric effect: study of the internal rotation barrier of ethane.

    PubMed

    Esquivel, Rodolfo O; Liu, Shubin; Angulo, Juan Carlos; Dehesa, Jesús S; Antolín, Juan; Molina-Espíritu, Moyocoyani

    2011-05-05

    On the basis of a density-based quantification of the steric effect [Liu, S. B. J. Chem. Phys.2007, 126, 244103], the origin of the internal rotation barrier between the eclipsed and staggered conformers of ethane is systematically investigated in this work from an information-theoretical point of view by using the Fisher information measure in conjugated spaces. Two kinds of computational approaches are considered in this work: adiabatic (with optimal structure) and vertical (with fixed geometry). The analyses are performed systematically by following, in each case, the conformeric path by changing the dihedral angle from 0 to 180° . This is calculated at the HF, MP2, B3LYP, and CCSD(T) levels of theory and with several basis sets. Selected descriptors of the densities are utilized to support the observations. Our results show that in the adiabatic case the eclipsed conformer possesses a larger steric repulsion than the staggered conformer, but in the vertical cases the staggered conformer retains a larger steric repulsion. Our results verify the plausibility for defining and computing the steric effect in the post-Hartree-Fock level of theory according to the scheme proposed by Liu.

  15. 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.

  16. Enhanced ethylene and ethane production with free-radical cracking catalysts.

    PubMed

    Kolts, J H; Delzer, G A

    1986-05-09

    A series of free-radical catalysts have been discovered that increase the yield of highly valuable olefins from the cracking of low molecular weight paraffins. For example, catalytic cracking of n-butane, isobutane, and propane over manganese or iron supported on magnesium oxide (MgO) gave product distributions different from those given by thermal (free-radical) cracking or cracking over traditional acid catalysts. With n-butane and propane feeds, the products from catalytic cracking included large amounts of ethylene and ethane; with isobutane feed, propylene was the major product. Physical characterization of the MgO-supported catalyst showed the manganese to be in a 2+ oxidation state in the reduced catalyst and a 4+ oxidation state in the fully oxidized catalyst. Manganese was also shown to be uniformly distributed in the support material with very little enrichment at the surface. Matrix isolation of the gasphase radicals from n-butane feed showed that ethyl and methyl radicals were produced over the active catalysts. In the thermal process, only methyl radicals were produced. The mechanism of the catalytic reaction appears to be selective formation of primary carbanions at the catalyst surface followed by electron transfer and release of primary hydrocarbon radicals to the gas phase.

  17. Effect of surface phosphorus on the oxidative dehydrogenation of ethane: A first-principles investigation

    NASA Astrophysics Data System (ADS)

    Maiti, Amitesh; Govind, Niranjan; Kung, Paul; King-Smith, Dominic; Miller, James E.; Zhang, Conrad; Whitwell, George

    2002-11-01

    Oxidative dehydrogenation (ODH) of small-chain alkanes has the potential to displace thermal cracking as the preferred method of light olefin production. Many heterogeneous catalysts for the ODH reaction have been discussed in the literature, including oxides, vanadates, and phosphates of rare earth and transition metals. Our experiments and the literature indicate that for most of these catalysts, including silica gel and alumina, a phosphorus-enriched surface enhances the ODH yield of ethane to ethylene. To understand the role of P, the ODH reactions were simulated on a silica surface, with and without P, using the density functional theory code DMol3 in a periodic supercell. Optimized structures for all intermediates as well as transition states were obtained for full catalytic cycles. The simulations reveal that activation barriers for the rate-limiting steps are lowered by ˜10 kcal/mol in the presence of P. The decrease results from a transition state in which the P atom remains quasi-5-valent and fourfold coordinated.

  18. Calculation of nuclear spin-spin couplings. VIII. Vicinal proton-proton coupling constants in ethane

    NASA Astrophysics Data System (ADS)

    Fukui, H.; Inomata, H.; Baba, T.; Miura, K.; Matsuda, H.

    1995-10-01

    Ab initio self-consistent-field (SCF) and electron correlation calculations have been carried out for the dihedral angle dependence of the vicinal proton-proton coupling constants, 3JHH, in ethane molecule. The four contributions to 3JHH, (JFC, JSD, JOP, and JOD) have been computed with the three different basis sets, [5s2p1d/2s1p], [5s3p1d/3s1p], and [7s4p2d/5s2p]. The Fermi contact (FC) contribution was largest and the spin-dipole (SD) contribution was smallest. The FC and orbital paramagnetic (OP) contributions showed large basis set dependence, but the SD and orbital diamagnetic (OD) contributions presented little basis set dependence. The calculated total SCF contribution to 3JHH was higher than the experimental coupling. Using the Møller-Plesset perturbation theory we have introduced electron correlation effects on the FC and OP terms. The correlation effects on the OP term was shown to be negligible. The second-order correlation in the FC term was very large and amounted to half of its SCF value in magnitude with opposite sign. However, the third-order correlation in the FC contribution was small. Unfortunately, the calculated 3JHH value including correlation corrections through third order was too small compared to the experimental one. The poor agreement between calculation and experiment is claimed to be due to higher than third-order correlations in the FC term.

  19. 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

  20. An experimental and theoretical study of core-valence double ionisation of acetaldehyde (ethanal).

    PubMed

    Zagorodskikh, S; Vapa, M; Vahtras, O; Zhaunerchyk, V; Mucke, M; Eland, J H D; Squibb, R J; Linusson, P; Jänkälä, K; Ågren, H; Feifel, R

    2016-01-28

    Core-valence double ionisation spectra of acetaldehyde (ethanal) are presented at photon energies above the carbon and oxygen 1s ionisation edges, measured by a versatile multi-electron coincidence spectroscopy technique. We use this molecule as a testbed for analyzing core-valence spectra by means of quantum chemical calculations of transition energies. These theoretical approaches range from two simple models, one based on orbital energies corrected by core valence interaction and one based on the equivalent core approximation, to a systematic series of quantum chemical electronic structure methods of increasing sophistication. The two simple models are found to provide a fast orbital interpretation of the spectra, in particular in the low energy parts, while the coverage of the full spectrum is best fulfilled by correlated models. CASPT2 is the most sophisticated model applied, but considering precision as well as computational costs, the single and double excitation configuration interaction model seems to provide the best option to analyze core-valence double hole spectra.

  1. Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane for combustion applications

    NASA Astrophysics Data System (ADS)

    Magnotti, G.; KC, U.; Varghese, P. L.; Barlow, R. S.

    2015-09-01

    Spontaneous Raman scattering measurements of temperature and major species concentration in hydrocarbon-air flames require detailed knowledge of the Raman spectra of the hydrocarbons present when fuels more complex than methane are used. Although hydrocarbon spectra have been extensively studied at room temperature, there are no data available at higher temperatures. Quantum mechanical calculations, when available are not sufficiently accurate for combustion applications. This work presents experimental measurements of spontaneous Stokes-Raman scattering spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane in the temperature range 300-860 K. Raman spectra from heated hydrocarbons jets have been collected with a higher resolution than is generally employed for Raman measurements in combustion applications. A set of synthetic spectra have been generated for each hydrocarbon, providing the basis for extrapolation to higher temperatures. The spectra provided here will enable simultaneous measurements of multiple hydrocarbons in flames. This capability will greatly extend the range of applicability of Raman measurements in combustion applications. In addition, the experimental spectra provide a validation dataset for quantum mechanical models.

  2. Mass balance of decabromodiphenyl ethane and decabromodiphenyl ether in a WWTP.

    PubMed

    Ricklund, Niklas; Kierkegaard, Amelie; McLachlan, Michael S; Wahlberg, Cajsa

    2009-01-01

    The additive flame retardant decabromodiphenyl ethane (deBDethane) has been identified in the environment, but little is known about its environmental behaviour. It is structurally similar to decabromodiphenyl ether (decaBDE), making it conceivable that it may also become an environmental contaminant of concern. In this study a mass balance of deBDethane and decaBDE was undertaken in a modern WWTP in Stockholm serving 7.05x10(5) inhabitants. Flow proportional samples of plant influent and effluent as well as daily grab samples of digested sludge were collected during two 7-day periods. All samples were analyzed with GC/HRMS using isotope labelled internal standards. The mean mass flows of deBDethane and decaBDE to the WWTP were 6.0 g per day and 55 g per day, respectively. Of this, less than 1% of both BFRs left the WWTP via the effluent, while the bulk was sequestered into the digested sludge, where the mean concentrations of deBDethane and decaBDE were 81 and 800 ng g(-1)d.wt., respectively. It is concluded that the transfer efficiency of deBDethane from the technosphere to the environment via WWTPs is similar to that of decaBDE.

  3. Reforming and oxidative dehydrogenation of ethane with CO2 as a soft oxidant over bimetallic catalysts

    DOE PAGES

    Myint, MyatNoeZin; Yan, Binhang; Wan, Jie; ...

    2016-02-26

    An efficient mitigation of abundantly available CO2 is critical for sustainable environmental impact as well as for novel industrial applications. Using ethane, CO2 can be catalytically converted into a useful feedstock (synthesis gas) and a value-added monomer (ethylene) via the dry reforming pathway through the C–C bond scission and the oxidative dehydrogenation pathway through the C–H bond scission, respectively. Results from the current flow-reactor study show that the precious metal bimetallic CoPt/CeO2 catalyst undergoes the reforming reaction to produce syngas with enhanced activity and stability compared to the parent monometallic catalysts. In this paper, in order to replace Pt, themore » activities of non-precious CoMo/CeO2 and NiMo/CeO2 are investigated and the results indicate that NiMo/CeO2 is nearly as active as CoPt/CeO2 for the reforming pathway. Furthermore, FeNi/CeO2 is identified as a promising catalyst for the oxidative dehydrogenation to produce ethylene. Finally, density functional theory (DFT) calculations are performed to further understand the different pathways of the CoPt/CeO2 and FeNi/CeO2 catalysts.« less

  4. 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.

  5. Fate and transport of dissolved methane and ethane in cretaceous shales of the Williston Basin, Canada

    NASA Astrophysics Data System (ADS)

    Jim Hendry, M.; Lee Barbour, S.; Schmeling, Erin E.; Mundle, Scott O. C.; Huang, M.

    2016-08-01

    Baseline characteristics of dissolved methane (CH4) and ethane (C2H6) and their stable isotopes in thick, low hydraulic conductivity, Cretaceous shales were determined using high-resolution core profiling at four sites in the Williston Basin (WB), Canada. Positive correlations with the conservative natural tracer Cl- reflected a lack of measureable production or consumption of gases in the shale to the depth investigated (150 m below ground, BG) and suggest CH4 and C2H6 concentrations near the interface with overlying Quaternary sediments are controlled by lateral migration and dilution in permeable zones. Curvilinear increasing concentrations with depth in the shale at all sites coupled with 1-D solute transport modeling suggest long-term (over millions of years) upward diffusion of CH4 and C2H6 from deeper WB sources, likely the Second White Speckled Shale Formation (SWSS; ˜790 m BG). δ13C-CH4 profiles in the shale are consistent with upward diffusional fractionation of isotopes from the SWSS. Distinct CH4 and C2H6 isotope values of gases in the shales versus 13C-enriched thermogenic isotopic signatures of CH4 and C2H6 in deeper oil-producing WB intervals could be used to identify fugitive gases originating deeper in the Basin.

  6. 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.

  7. 3′-Daidzein sulfonate sodium improves mitochondrial functions after cerebral ischemia/reperfusion injury

    PubMed Central

    Yuan, Wa; Chen, Qin; Zeng, Jing; Xiao, Hai; Huang, Zhi-hua; Li, Xiao; Lei, Qiong

    2017-01-01

    3′-Daidzein sulfonate sodium is a new synthetic water-soluble compound derived from daidzein (an active ingredient of the kudzu vine root). It has been shown to have a protective effect on cerebral ischemia/reperfusion injury in rats. We plan to study the mechanism of its protective effect. 3′-Daidzein sulfonate sodium was injected in rats after cerebral ischemia/reperfusion injury. Results showed that 3′-daidzein sulfonate sodium significantly reduced mitochondrial swelling, significantly elevated the mitochondrial membrane potential, increased mitochondrial superoxide dismutase and glutathione peroxidase activities, and decreased mitochondrial malondialdehyde levels. 3′-Daidzein sulfonate sodium improved the structural integrity of the blood-brain barrier and reduced blood-brain barrier permeability. These findings confirmed that 3′-daidzein sulfonate sodium has a protective effect on mitochondrial functions after cerebral ischemia/reperfusion injury, improves brain energy metabolism, and provides protection against blood-brain barrier damage.

  8. Sulfonation, an underexploited area: from skeletal development to infectious diseases and cancer

    PubMed Central

    Leung, Ada W.Y.; Backstrom, Ian; Bally, Marcel B.

    2016-01-01

    Sulfonation is one of the most abundant cellular reactions modifying a wide range of xenobiotics as well as endogenous molecules which regulate important biological processes including blood clotting, formation of connective tissues, and functionality of secreted proteins, hormones, and signaling molecules. Sulfonation is ubiquitous in all tissues and widespread in nature (plants, animals, and microorganisms). Although sulfoconjugates were discovered over a century ago when, in 1875, Baumann isolated phenyl sulfate in the urine of a patient given phenol as an antiseptic, the significance of sulfonation and its roles in human diseases have been underappreciated until recent years. Here, we provide a current overview of the significance of sulfonation reactions in a variety of biological functions and medical conditions (with emphasis on cancer). We also discuss research areas that warrant further attention if we are to fully understand how deficiencies in sulfonation could impact human health which, in turn, could help define treatments to effect improvements in health. PMID:27322429

  9. Designer ionic liquid crystals based on congruently shaped guanidinium sulfonates.

    PubMed

    Butschies, Martin; Frey, Wolfgang; Laschat, Sabine

    2012-03-05

    Ionic liquid crystals are mesogenic compounds that consist of cations and anions, usually rod-like cations and spherical anions. Herein we report a new method for the synthesis of ionic liquid crystals by using cations and anions of the same molecular shape with oppositely charged head groups. Thus, 4-alkoxyphenylpentamethylguanidinium 4-alkoxyphenylsulfonate ion pairs have been synthesised. 4-Alkoxyphenylpentamethylguanidinium iodides were also prepared to determine the influence of congruently shaped anions, in comparison with their spherical counterparts, on mesophase behaviour, which was investigated by differential scanning calorimetry (DSC), polarising optical microscopy (POM) and X-ray diffraction (XRD). All the liquid crystalline salts exhibit smectic A mesophases with strongly interdigitated bilayer structures. The guanidinium sulfonate ion pairs show mesomorphic properties from shorter alkyl chain lengths (≥C(9)) and lower melting points (≈10 K), whereas the corresponding guanidinium iodides are liquid crystalline for longer alkyl chain lengths (≥C(14)). For chains with ≥C(18), however, the mesophase range decreases for the sulfonate ion pairs, but not for the iodide salts.

  10. 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.

  11. Bacterial communities degrading amino- and hydroxynaphthalene-2-sulfonates.

    PubMed Central

    Nörtemann, B; Baumgarten, J; Rast, H G; Knackmuss, H J

    1986-01-01

    A 6-aminonaphthalene-2-sulfonic acid (6A2NS)-degrading mixed bacterial community was isolated from a sample of river Elbe water. The complete degradation of this xenobiotic compound may be described by a mutualistic interaction of two Pseudomonas strains isolated from this culture. One strain, BN6, could also grow on 6A2NS in monoculture, however, with accumulation of black polymers. This organism effected the initial conversion of 6A2NS into 5-aminosalicylate (5AS) through regioselective attack of the naphthalene skeleton in the 1,2-position. 5AS was totally degraded by another member of the community, strain BN9. After prolonged adaptation of strain BN6 to growth on 6A2NS, this organism readily converted all naphthalene-2-sulfonates with OH- or NH2-substituents in the 5-, 6-, 7-, or 8-position. The corresponding hydroxy- or aminosalicylates were excreted in stoichiometric amounts, with the exception that the metabolite from 5A2NS oxidation was not identical with 6AS. Images PMID:3789715

  12. 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.

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. Cloning and expression of the sulfoxide/sulfone/sulfonate/sulfate genes in Pseudomonads and Thiobacillae. Tenth quarterly report

    SciTech Connect

    Krawiec, S.

    1992-02-07

    The original conception of the work was that genetic determinants of the sulfoxide/sulfone/sulfonate/sulfate (``4S``) pathway in Pseudomonas spp. would be cloned in vivo and then transferred to Thiobacillus spp. This ambition remains an appealing prospect; however, fulfilling that ambition has been confounded by an instability observed in the DbtS{sup +} phenotype in Pseudomonas spp. But the persisting interest in the phenotype has lead to isolation of fresh strains which have a DbtS{sup +} phenotype. One strain in particular, N1-36, has been the focus of extensive characterizations in long-term cultures. During the present quarter, seven cultures maintained in a ``fermentor`` for a week or longer have been run to determine rate and extent of growth, extent of conversion of dibenzothiophene (DBT) or dibenzosulfone (DBTO{sub 2}) to monohydroxybiphenyl (OH-BP), effect of pH maintained at 6.0, and the effect of adding glucose to cultures in which the amount of glucose had been diminished by bacterial consumption. In addition, a study of the effectiveness of using R68.445 as a vehicle for in vivo cloning of genes was completed this semester, and introduction of DbtS{sup +} determinants into Thiobacillus spp. continues to be an important goal.

  19. Cloning and expression of the sulfoxide/sulfone/sulfonate/sulfate genes in Pseudomonads and Thiobacillae. [Pseudomonas, Thiobacillus, Rhodococcus

    SciTech Connect

    Krawiec, S.

    1992-02-07

    The original conception of the work was that genetic determinants of the sulfoxide/sulfone/sulfonate/sulfate ( 4S'') pathway in Pseudomonas spp. would be cloned in vivo and then transferred to Thiobacillus spp. This ambition remains an appealing prospect; however, fulfilling that ambition has been confounded by an instability observed in the DbtS{sup +} phenotype in Pseudomonas spp. But the persisting interest in the phenotype has lead to isolation of fresh strains which have a DbtS{sup +} phenotype. One strain in particular, N1-36, has been the focus of extensive characterizations in long-term cultures. During the present quarter, seven cultures maintained in a fermentor'' for a week or longer have been run to determine rate and extent of growth, extent of conversion of dibenzothiophene (DBT) or dibenzosulfone (DBTO{sub 2}) to monohydroxybiphenyl (OH-BP), effect of pH maintained at 6.0, and the effect of adding glucose to cultures in which the amount of glucose had been diminished by bacterial consumption. In addition, a study of the effectiveness of using R68.445 as a vehicle for in vivo cloning of genes was completed this semester, and introduction of DbtS{sup +} determinants into Thiobacillus spp. continues to be an important goal.

  20. 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.

  1. Effect of the incorporation of sulfonated chitosan/sulfonated graphene oxide on the proton conductivity of chitosan membranes

    NASA Astrophysics Data System (ADS)

    Shirdast, Abbas; Sharif, Alireza; Abdollahi, Mahdi

    2016-02-01

    Chitosan biopolymer (CS) has been attracting considerable interest as polymer electrolyte in fuel cells. However, proton conductivity of chitosan is low and it is necessary to enhance its conductivity. In this work, 10 wt% sulfonated chitosan (SCS) and different amounts of sulfonated graphene oxide (SGO) nanosheets are incorporated into a chitosan membrane to investigate their effects on the electrochemical properties of the membrane. The proton conductivity and methanol permeability tests conducted on the CS/SCS/SGO membranes show that the conductivity is increased by 454%, the permeability is reduced by 23% and hence the selectivity is increased by 650%, relative to the neat chitosan, at SGO content of 5 wt%. Furthermore, combined addition of SCS and SGO to chitosan causes much more proton conductivity enhancement than the individual additives due to the synergistic effect of SCS and SGO. The observed synergistic effect reveals the importance of the chemical functionality of chitosan and nanofillers in the formation of ionic cluster domains with enhanced size within the membranes for proton transport. Finally, a Nernst-Planck based model is applied to the experimental proton conductivity data in order to shed more light on the role of GOs in the proton conductivity mechanism of chitosan.

  2. Red electroluminescence of ruthenium sensitizer functionalized by sulfonate anchoring groups.

    PubMed

    Shahroosvand, Hashem; Abbasi, Parisa; Mohajerani, Ezeddin; Janghouri, Mohammad

    2014-06-28

    We have synthesized five novel Ru(ii) phenanthroline complexes with an additional aryl sulfonate ligating substituent at the 5-position [Ru(L)(bpy)2](BF4)2 (1), [Ru(L)(bpy)(SCN)2] (2), [Ru(L)3](BF4)2 (3), [Ru(L)2(bpy)](BF4)2 (4) and [Ru(L)(BPhen)(SCN)2] (5) (where L = 6-one-[1,10]phenanthroline-5-ylamino)-3-hydroxynaphthalene 1-sulfonic, bpy = 2,2'-bipyridine, BPhen = 4,7-diphenyl-1,10-phenanthroline), as both photosensitizers for oxide semiconductor solar cells (DSSCs) and light emitting diodes (LEDs). The absorption and emission maxima of these complexes red shifted upon extending the conjugation of the phenanthroline ligand. Ru phenanthroline complexes exhibit broad metal to ligand charge transfer-centered electroluminescence (EL) with a maximum near 580 nm. Our results indicated that a particular structure (2) can be considered as both DSSC and OLED devices. The efficiency of the LED performance can be tuned by using a range of ligands. Device (2) has a luminance of 550 cd m(-2) and maximum efficiency of 0.9 cd A(-1) at 18 V, which are the highest values among the five devices. The turn-on voltage of this device is approximately 5 V. The role of auxiliary ligands in the photophysical properties of Ru complexes was investigated by DFT calculation. We have also studied photovoltaic properties of dye-sensitized nanocrystalline semiconductor solar cells based on Ru phenanthroline complexes and an iodine redox electrolyte. A solar energy to electricity conversion efficiency (η) of 0.67% was obtained for Ru complex (2) under standard AM 1.5 irradiation with a short-circuit photocurrent density (Jsc) of 2.46 mA cm(-2), an open-circuit photovoltage (Voc) of 0.6 V, and a fill factor (ff) of 40%, which are all among the highest values for ruthenium sulfonated anchoring groups reported so far. Monochromatic incident photon to current conversion efficiency was 23% at 475 nm. Photovoltaic studies clearly indicated dyes with two SCN substituents yielded a higher Jsc for the

  3. 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).

  4. 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.

  5. Blood oxygen saturation measured in the presence of a mixture of cyclopropane, sulfur hexafluoride, and ethane.

    PubMed

    Forte, V A; Burse, R L; Cymerman, A

    1997-01-01

    Some anesthetic gases interfere with the determination of blood O2 values. We evaluated, for its potential for such interference, a gas mixture containing (v/v) approximately 70% ethane, 20% sulfur hexafluoride, and 10% cyclopropane, as is currently used in trace amounts to determine ventilation-perfusion (v/Q) ratios. Normal human blood samples were first tonometered with control gas mixtures containing (v/v): (1) 20.9% O2, 0.04% CO2; (2) 16.0% O2, 4.0% CO2; and (3) 9.9% O2, 7.8% CO2. A large quantity (20.9%) of the v/Q mixture was blended experimentally into the control mixture and the tonometry repeated. The entire experiment was then repeated substituting pure N2 for the v/Q mixture as a dilution control. O2 values were determined by three methods: (1) a polarographic electrode, ABL-300 (ABL); (2) a spectrophotometric method, Co-Oximeter (COOX); and (3) a galvanic cell, Lex-O2-Con (LEX). The v/Q gas mixture lowered significantly all measured LEX values by 2.5-3.6 saturation percent (sat%), but showed no effect, dilution or otherwise, on the O2 values determined by the COOX and ABL methods. The N2 dilution lowered the LEX values by an average of only 0.9 sat%; the ABL and the COOX were approximately 0.6 sat% lower. We therefore suggest that, if any of these O2 measurement methods are used in the presence of the v/Q mixture, baseline O2 values should be determined both before and after injection of the mixture into the bloodstream, prior to performing other experimental manipulations. The difference between the two values, if any, can then be used to interpret subsequent results.

  6. 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.

  7. Perfluorooctane sulfonate induces apoptosis in N9 microglial cell line.

    PubMed

    Zhang, Ling; Li, Yuan-yuan; Zeng, Huai-cai; Li, Miao; Wan, Yan-Jian; Schluesener, Hermann J; Zhang, Zhi-yuan; Xu, Shun-qing

    2011-03-01

    Perfluorooctane sulfonate (PFOS) is an environmental persistent acid found at low levels in human, wildlife, and environmental media samples. To study the apoptosis effects of PFOS on microglia, murine N9 cell line was used as a model in current research. The results showed that PFOS could reduce the cell viability significantly, and the cellular apoptosis induced by PFOS was closely accompanied with dissipation of mitochondria membrane potential, upregulation messenger RNAs (mRNAs) of p53, Bax, caspase 9, and caspase 3, and decreased expression of Bcl-2 mRNA. These results suggested that PFOS could disturb homeostasis of N9 cells, impact mitochondria, and affect gene expression of apoptotic regulators, all of which resulted in a start-up of apoptosis.

  8. Development of a novel sulfonate ester-based prodrug strategy.

    PubMed

    Hanaya, Kengo; Yoshioka, Shohei; Ariyasu, Shinya; Aoki, Shin; Shoji, Mitsuru; Sugai, Takeshi

    2016-01-15

    A self-immolative γ-aminopropylsulfonate linker was investigated for use in the development of prodrugs that are reactive to various chemical or biological stimuli. To demonstrate their utility, a leucine-conjugated prodrug of 5-chloroquinolin-8-ol (5-Cl-8-HQ), which is a potent inhibitor against aminopeptidase from Aeromonas proteolytica (AAP), was synthesized. The sulfonate prodrug was considerably stable under physiological conditions, with only enzyme-mediated hydrolysis of leucine triggering the subsequent intramolecular cyclization to simultaneously release 5-Cl-8-HQ and form γ-sultam. It was also confirmed that this γ-aminopropylsulfonate linker was applicable for prodrugs of not only 8-HQ derivatives but also other drugs bearing a phenolic hydroxy group.

  9. Diffusion Coefficient of Tin(II) Methanesulfonate in Ionic Liquid and Methane Sulfonic Acid (MSA) Solvent

    NASA Astrophysics Data System (ADS)

    Yang, Kok Kee; Mahmoudian, M. R.; Ebadi, Mehdi; Koay, Hun Lee; Basirun, Wan Jeffrey

    2011-12-01

    Voltammetry and chronoamperometry for the electrodeposition of tin from Tin(II) methane sulfonate mixed with ionic liquid and methane sulfonate acid at room temperature was studied. Cyclic voltammetry shows redox waves of Tin(II), which proves that the electrodeposition of tin from Tin(II) methane sulfonate is a diffusion-controlled process. The diffusion coefficient of Tin(II) ions in the solvent mixture showed good agreement from both voltammetry and chronoamperometry results. The diffusion coefficient of Tin(II) in the mixture was much smaller than in aqueous solution, and it depends on the anion of the ionic liquid.

  10. Raman and Luminescent Spectra of Sulfonated Zn Phthalocyanine Enhanced by Gold Nanoparticles

    NASA Astrophysics Data System (ADS)

    Kavelin, V.; Fesenko, O.; Dubyna, H.; Vidal, C.; Klar, T. A.; Hrelescu, C.; Dolgov, L.

    2017-03-01

    Sulfonated Zn phthalocyanine, as a prospective photosensitizer in the photodynamic therapy of tumors, is investigated by means of Raman, infrared, and fluorescence spectroscopies. Conventional and surface-enhanced spectra from this photosensitizer are obtained and compared. Gold nano-islands attached to silica cores (Au-SiO2) are proposed as nanostructures providing plasmonically enhanced signals. Pronounced enhancement of Raman and infrared spectral bands from sulfonated Zn phthalocyanine allows their more convenient assignment with vibrational modes of sulfonated Zn phthalocyanine. In comparison to Raman and IR, the fluorescence is less enhanced by Au-SiO2 particles.

  11. Inactivation of the RTEM beta-lactamase from Escherichia coli. Interaction of penam sulfones with enzyme.

    PubMed

    Fisher, J; Charnas, R L; Bradley, S M; Knowles, J R

    1981-05-12

    The characteristics of the reaction of a number of mechanism-based inactivators of the RTEM beta-lactamase have suggested that a common mechanistic pathway may be followed by many of these compounds. These ideas have been tested by the synthesis and evaluation of some penam sulfones as beta-lactamase inactivators. The sulfones of poor beta-lactamase substrates are, as predicted, potent inactivators of the enzyme. A unique serin residue (Ser-70) is labeled by quinacillin sulfone, and it is likely that this serine acts nucleophilically in the normal hydrolytic reaction of the beta-lactamase to form an acyl-enzyme intermediate.

  12. Dibromido[N-propyl-N'-(2-pyridylmethyl-idene)ethane-1,2-diamine]zinc(II).

    PubMed

    Zhu, Xue-Wen; Yang, Xu-Zhao

    2008-07-31

    The title complex, [ZnBr(2)(C(11)H(17)N(3))], is a mononuclear zinc(II) compound derived from the Schiff base N-propyl-N'-(1-pyridin-2-ylmethyl-idene)ethane-1,2-diamine. The Zn(II) atom is five-coordinate, binding to the imine N, pyridine N, and amine N atoms of the Schiff base ligand and to two bromide anions in a distorted trigonal-bipyramidal coordination geometry. Adjacent mol-ecules are linked through inter-molecular N-H⋯Br hydrogen bonds, forming dimers.

  13. Synthesis and reactivity of cis-FeH2(dcpe)2 (dcpe=1,2-bis(dicyclohexylphosphino)ethane)

    DOE PAGES

    Summerscales, Owen T.; Scott, Brian Lindley; Viswanathan, Hari S.; ...

    2015-12-02

    For this work, a new six-coordinate iron dihydride cis-FeH2(dcpe)2 (1) has been synthesized (dcpe = 1,2-bis(dicyclohexylphosphino)ethane). It has been found to react with either 1,4-cyclohexadiene or tert-butylethylene in toluene to give the respected hydrogenated hydrocarbon and the zero valent species Fe(dcpe)(toluene) (2). When this reaction with acceptor olefins was performed in methylcyclohexane, transfer dehydrogenation was observed to give low-yields of iron-bound toluene in 2.

  14. 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.

  15. Estimates of Methane and Ethane Emissions from the Barnett Shale Using Atmospheric Measurements

    NASA Astrophysics Data System (ADS)

    Karion, A.; Sweeney, C.; Kort, E. A.; Shepson, P. B.; Conley, S. A.; Lauvaux, T.; Davis, K. J.; Deng, A.; Lyon, D. R.; Smith, M. L.

    2015-12-01

    Recent development of horizontal drilling technology and advances in hydraulic fracturing techniques by the oil and gas industry have dramatically increased onshore U.S. natural gas and oil production in the last several years. The primary component of natural gas is methane (CH4), a powerful greenhouse gas; therefore, natural gas leakage into the atmosphere affects its climate impact. We present estimates of regional methane (CH4) and ethane (C2H6) emissions from oil and natural gas operations in the Barnett Shale, Texas, made in March and October 2013 as part of the Environmental Defense Fund's Barnett Coordinated Campaign. The Barnett is one of the largest production basins in the United States, with 8% of total U.S. natural gas production, and thus, our results represent a crucial step toward determining the greenhouse gas footprint of U.S. onshore natural gas production. Using a mass balance approach on eight different flight days the total CH4 emissions for the region are estimated to be 76 ± 13x 103 kg/hr, or 0.66 ± 0.11 Tg CH4 /yr; (95% CI). Repeated mass balance flights in the same basin on eight different days and two seasons demonstrate the consistency of the mass balance approach. On the basis of airborne C2H6 and CH4 measurements, we find 71-85% of the observed CH4 emissions quantified in the Barnett Shale are derived from fossil sources. The average C2H6 flux was 6.6 ± 0.2 x 103 kg/hr and consistent across six days in spring and fall of 2013. This result is the first demonstration of this approach for C2H6. We estimate that 60±11x103 kg CH4/hr (95% CI) are emitted by natural gas and oil operations, including production, processing, and distribution in the urban areas of Dallas and Fort Worth. This estimate is significantly higher than emissions reported by the EDGAR inventory or by industry to EPA's Greenhouse Gas Reporting Program.

  16. 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.

  17. 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.

  18. 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.

  19. A Modular Synthetic Approach to Isosteric Sulfonic Acid Analogues of the Anticoagulant Pentasaccharide Idraparinux.

    PubMed

    Mező, Erika; Eszenyi, Dániel; Varga, Eszter; Herczeg, Mihály; Borbás, Anikó

    2016-11-11

    Heparin-based anticoagulants are drugs of choice in the therapy and prophylaxis of thromboembolic diseases. Idraparinux is a synthetic anticoagulant pentasaccharide based on the heparin antithrombin-binding domain. In the frame of our ongoing research aimed at the synthesis of sulfonic acid-containing heparinoid anticoagulants, we elaborated a modular pathway to obtain a series of idraparinux-analogue pentasaccharides bearing one or two primary sulfonic acid moieties. Five protected pentasaccharides with different C-sulfonation patterns were prepared by two subsequent glycosylation reactions, respectively, using two monosaccharide and four disaccharide building blocks. Transformation of the protected derivatives into the fully O-sulfated, O-methylated sulfonic acid end-products was also studied.

  20. 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.

  1. REVISITING NUCLEOPHILIC SUBSTITUTION REACTIONS: MICROWAVE-ASSISTED SYNTHESIS OF AZIDES, THIOCYANATES AND SULFONES IN AQUEOUS MEDIUM

    EPA Science Inventory

    A practical, rapid and efficient microwave (MW) promoted synthesis of various azides, thiocyanates and sulfones, is described in aqueous medium. This general and expeditious MW-enhanced nucleophilic substitution approach uses easily accessible starting materials such as halides o...

  2. 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...

  3. Synthesis of new sulfonylamido-penicillanic acid sulfones inhibitors of beta-lactamases.

    PubMed

    Vanwetswinkel, S; Fastrez, J; Marchand-Brynaert, J

    1994-09-01

    Three new sulfonylamido-penicillanic acid sulfones have been prepared by reaction of 6-aminopenicillanic esters with the monoester or monoamide derivatives obtained in nucleophilic substitution reactions by alcohol or aniline on the carboxyl chloride function of sulfoacetic dichloride followed by oxidation. These penicillin sulfones are converted to beta-lactamases suicide inhibitors by removal of the C3 ester protecting group. This synthetic strategy can give access to sulfonamidopenam sulfones bearing a variety of 6-amino side chain. These inhibitors inactivate the RTEM beta-lactamase rapidly. The kinetics of inactivation are consistent with the partitioning of an acylenzyme intermediate between two main pathways: regeneration of free enzyme and irreversible inactivation, little transient inactivation is observed. A slow inhibition by the product of enzymatic hydrolysis of the sulfones is also observed.

  4. 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.

  5. Utilization of common ditch vegetation in the reduction of fipronil and its sulfone metabolite

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fipronil, a phenylpyrazole insecticide and its oxidative sulfone metabolite are two potential nonpoint source pollutants from treated rice and cotton production. A consequence of these pollutants occurring in surface runoff is degradation of downstream aquatic ecosystems. Utilization of primary inte...

  6. Synthesis of sulfonated oxindoles by potassium iodide catalyzed arylsulfonylation of activated alkenes with sulfonylhydrazides in water.

    PubMed

    Li, Xiaoqing; Xu, Xiangsheng; Hu, Peizhu; Xiao, Xuqiong; Zhou, Can

    2013-07-19

    A catalytic system consisting of KI, 18-crown-6, and TBHP for arylsulfonylation of activated alkenes with sulfonylhydrazides as sulfonyl precursor is described. This protocol provides a practical and environmentally benign method for the construction of sulfonated oxindoles in water.

  7. 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

  8. Morphological Behavior of Sulfonated Styrene-Ethylene/Propylene-Styrene Triblock Copolymers

    DTIC Science & Technology

    2006-02-01

    ionomers possessing short (1K g/mol) styrene blocks and various rubber block lengths were synthesized via sequential anionic polymerization of styrene...isoprene, and styrene followed by hydrogenation and sulfonation. The ionomers were then characterized by small-angle x-ray scattering (SAXS) and atomic...spherical. 15. SUBJECT TERMS block copolymer, SAXS, ionomer , sulfonated polystyrene, SEPS 16. SECURITY CLASSIFICATION OF: 19a. NAME OF RESPONSIBLE

  9. Intensity of the /R/Q sub zero branch in the nu-9 fundamental of ethane. [laboratory spectra for Jupiter and Saturn IR observations

    NASA Technical Reports Server (NTRS)

    Tokunaga, A.; Varanasi, P.

    1976-01-01

    Recent observations of Jupiter and Saturn at 12 microns have shown strong emission in the nu-9 fundamental of ethane. In order to derive the abundance of ethane from the planetary observations, the absolute intensity of the (R)Q sub zero branch of the nu-9 fundamental was measured, yielding a value of 0.74 plus or minus 0.09/sq cm/atm at 300 K. In order to study the absorption features of the nu-9 fundamental, the computed rotational structure of the band was compared with the laboratory spectrum.

  10. Rapid analysis of dissolved methane, ethylene, acetylene and ethane using partition coefficients and headspace-gas chromatography.

    PubMed

    Lomond, Jasmine S; Tong, Anthony Z

    2011-01-01

    Analysis of dissolved methane, ethylene, acetylene, and ethane in water is crucial in evaluating anaerobic activity and investigating the sources of hydrocarbon contamination in aquatic environments. A rapid chromatographic method based on phase equilibrium between water and its headspace is developed for these analytes. The new method requires minimal sample preparation and no special apparatus except those associated with gas chromatography. Instead of Henry's Law used in similar previous studies, partition coefficients are used for the first time to calculate concentrations of dissolved hydrocarbon gases, which considerably simplifies the calculation involved. Partition coefficients are determined to be 128, 27.9, 1.28, and 96.3 at 30°C for methane, ethylene, acetylene, and ethane, respectively. It was discovered that the volume ratio of gas-to-liquid phase is critical to the accuracy of the measurements. The method performance can be readily improved by reducing the volume ratio of the two phases. Method validation shows less than 6% variation in accuracy and precision except at low levels of methane where interferences occur in ambient air. Method detection limits are determined to be in the low ng/L range for all analytes. The performance of the method is further tested using environmental samples collected from various sites in Nova Scotia.

  11. Cooling rate and ice-crystal measurement in biological specimens plunged into liquid ethane, propane, and Freon 22.

    PubMed

    Ryan, K P; Bald, W B; Neumann, K; Simonsberger, P; Purse, D H; Nicholson, D N

    1990-06-01

    Specimens sandwiched between copper planchettes were plunged up to a depth of 430 mm into coolants used for cryofixation. Hydrated gelatin containing a miniature thermocouple was used to mimic the behaviour of tissue during freezing. Gelatin and red blood cells were used for ice-crystal analysis. Ethane produced the fastest cooling rates and the smallest ice-crystal profiles, and Freon 22 produced the slowest cooling rates and the largest crystal profiles. Smaller crystal profiles were often seen in the centre of the specimens than in subsurface zones. The results show that ethane, rather than propane, should be used for freezing metal-sandwiched freeze-fracture specimens by the plunging method, and probably also in the jet-cooling method. They further suggest that good cryofixation could occur at the centre of thin specimens rather than only at their surfaces. Comparison between theoretical and experimental ice-crystal sizes was satisfactory, indicating that where the experimental parameters can be defined then realistic predictions can be made regarding cryofixation results.

  12. Regional Influences of Marcellus Shale Natural Gas Activity: Back-trajectory Analysis of Baltimore/Washington Ethane Concentrations

    NASA Astrophysics Data System (ADS)

    Vinciguerra, T.; Chittams, A.; Dadzie, J.; Deskins, T.; Goncalves, V.; M'Bagui Matsanga, C.; Zakaria, R.; Ehrman, S.; Dickerson, R. R.

    2015-12-01

    Over the past several years, the combined utilization of hydraulic fracturing and horizontal drilling has led to a rapid increase in natural gas production, especially from the Marcellus Shale. To explore the impact of this activity downwind on regions with no natural gas production, the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) Model was used to generate 48-hour back-trajectories for summer, daytime hours from the years 2007-2014 in the Baltimore, MD and Washington, D.C. areas where hourly ethane measurements are available from Photochemical Assessment Monitoring Stations (PAMS). For each of the years investigated, unconventional well counts were obtained for counties in the surrounding states of Pennsylvania, Ohio, West Virginia, and Virginia, and counties exceeding a threshold of 0.05 wells/km2 were designated as counties with a high density of wells. The back-trajectories for each year were separated into two groups: those which passed through counties containing a high density of wells, and those which did not. Back-trajectories passing through high-density counties were further screened by applying a height criterion where trajectories beyond 10% above the mixing layer were excluded. Preliminary results indicate that air parcels with back-trajectories passing within the boundary layer of counties with a high density of unconventional natural gas wells correspond to significantly greater concentrations of observed ethane at these downwind monitors.

  13. Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

    SciTech Connect

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  14. Elastic wave speeds and moduli in polycrystalline ice Ih, si methane hydrate, and sll methane-ethane hydrate

    USGS Publications Warehouse

    Helgerud, M.B.; Waite, W.F.; Kirby, S.H.; Nur, A.

    2009-01-01

    We used ultrasonic pulse transmission to measure compressional, P, and shear, S, wave speeds in laboratory-formed polycrystalline ice Ih, si methane hydrate, and sll methane-ethane hydrate. From the wave speed's linear dependence on temperature and pressure and from the sample's calculated density, we derived expressions for bulk, shear, and compressional wave moduli and Poisson's ratio from -20 to 15??C and 22.4 to 32.8 MPa for ice Ih, -20 to 15??C and 30.5 to 97.7 MPa for si methane hydrate, and -20 to 10??C and 30.5 to 91.6 MPa for sll methane-ethane hydrate. All three materials had comparable P and S wave speeds and decreasing shear wave speeds with increasing applied pressure. Each material also showed evidence of rapid intergranular bonding, with a corresponding increase in wave speed, in response to pauses in sample deformation. There were also key differences. Resistance to uniaxial compaction, indicated by the pressure required to compact initially porous samples, was significantly lower for ice Ih than for either hydrate. The ice Ih shear modulus decreased with increasing pressure, in contrast to the increase measured in both hydrates ?? 2009.

  15. Viscoelastic Behavior of Low Molecular Weight Sulfonated Polystyrene Ionomers

    NASA Astrophysics Data System (ADS)

    Zhao, Hongying

    Ionomers are those hydrophobic polymers having small amounts of bonded ionic groups. The introduction of the ionic groups into polymer chain produces large changes in the physical, mechanical and rheological properties of the parent polymer. Characterization of the effect of the ionic interactions on the rheology is complicated by the difficulty in separating effects due to molecular entanglements and the ionic interactions. In this study, low molecular weight (Mw=4000) sulfonated polystyrene (SPS) was used to study the dynamic and steady shear rheology of SPS ionomers. The polymer chain length used was far below the entanglement molecular weight of polystyrene and effects of molecular entanglements will be absent. Any polymer chain entanglements or lengthening behavior on the melt rheology should be due to the ionic interactions. Random SPS ionomers with two sulfonation levels were examined, 2.5 and 4.8 mol%, which corresponded, respectively, to one and two sulfonate groups per chain on average. The metal counterions was varied across the alkali metal series of the periodic table. Morphology of the ionomer was characterized by using small angle x-ray scattering (SAXS) analysis, and dynamic and steady shear measurements were performed to investigate rheological behavior of the ionomers. Glass transition temperatures of the ionomers increased with increasing ion concentration but were insensitive to cation used. The scattering peak in SAXS indicates the existence of the nanophase separated ionic clusters. The strong ionic nanophase persist up to very high temperatures and is not sensitive to the external stress. Time-temperature superposition (TTS) of G' worked reasonably well while TTS of G" failed for most ionomers. Ionic interactions increased the terminal relaxation time of the melts as much as seven orders of magnitude greater than the unentangled PS melt. The zero shear viscosity and first normal stress coefficients scaled with cq/a, where c was the

  16. Vibrational spectroscopic study of pure and silica-doped sulfonated poly(ether ether ketone) membranes

    NASA Astrophysics Data System (ADS)

    Rangasamy, Vijay Shankar; Thayumanasundaram, Savitha; Seo, Jin Won; Locquet, Jean-Pierre

    2015-03-01

    We report the vibrational properties of sulfonated poly(ether ether ketone) (SPEEK) membranes, used as electrolytes in proton exchange membrane (PEM) fuel cells, studied by Fourier transform infrared (FTIR) spectroscopy. We discuss the changes in the vibrational modes of the functional groups present in the polymer arising due to the sulfonation process and the subsequent incorporation of silica particles functionalized with sulfonic acid group. From the infrared spectra, we confirm the incorporation of sulfonic acid group in the polymer chain as well as in the functionalized silica particles. We have also measured the variations in the peak area ratio of the characteristic out-of-plane vibrations of the aromatic rings in the PEEK polymer at 1280 cm-1 with respect to a reference peak at 1305 cm-1. These values were correlated to the crystallinity (XC) values experimentally determined by DSC technique, providing a non-destructive means to calculate the crystallinity of polymer membranes. The calculated XC values were in good agreement with the experimental values. The crystallinity was observed to decrease with increasing degree of sulfonation (DS), indicating the crystalline-to-amorphous phase modification of the polymer by sulfonation, which along with the enhanced ion-exchange capacity and water uptake, is responsible for the improved ionic conductivity at higher DS values.

  17. Radiation-induced crosslinking of poly(styrene-butadiene-styrene) block copolymers and their sulfonation

    NASA Astrophysics Data System (ADS)

    Lee, Sun-Young; Song, Ju-Myung; Sohn, Joon-Yong; Shul, Yong-Gun; Shin, Junhwa

    2013-12-01

    Several crosslinked poly(styrene-butadiene-styrene) (c-SBS) block copolymer films were prepared using a gamma ray or electron beam with various irradiation doses and the prepared c-SBS film was then subjected to sulfonation using a chlorosulfonic acid (CSA) solution to introduce a sulfonic acid group. To estimate the degree of crosslinking, the gel fractions and FT-IR spectra of the c-SBS films were used and the results indicate that the degree of crosslinking is increased with an increase in the radiation dose. The surface morphology and mechanical property of the c-SBS films were observed using SEM and UTM instruments, respectively. The sulfonated c-SBS films were investigated by measuring the ion exchange capacity (IEC) and by observing the cross-sectional distribution patterns of sulfonic acid group using an SEM-EDX instrument. The IEC and SEM-EDX studies indicate that the sulfonated c-SBS membranes can be successfully prepared through the radiation crosslinking of the SBS film and the subsequent sulfonation with a diluted CSA solution.

  18. Polymer electrolytes based on sulfonated polysulfone for direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    Lufrano, F.; Baglio, V.; Staiti, P.; Arico', A. S.; Antonucci, V.

    This paper reports the development and characterization of sulfonated polysulfone (SPSf) polymer electrolytes for direct methanol fuel cells. The synthesis of sulfonated polysulfone was performed by a post sulfonation method using trimethyl silyl chlorosulfonate as a mild sulfonating agent. Bare polysulfone membranes were prepared with two different sulfonation levels (60%, SPSf-60 and 70%, SPSf-70), whereas, a composite membrane of SPSf-60 was prepared with 5 wt% silica filler. These membranes were investigated in direct methanol fuel cells (DMFCs) operating at low (30-40 °C) and high temperatures (100-120 °C). DMFC power densities were about 140 mW cm -2 at 100 °C with the bare SPSf-60 membrane and 180 mW cm -2 at 120 °C with the SPSf-60-SiO2 composite membrane. The best performance achieved at ambient temperature using a membrane with high degree of sulfonation (70%, SPSf-70) was 20 mW cm -2 at atmospheric pressure. This makes the polysulfone-based DMFC suitable for application in portable devices.

  19. Perfluorooctane sulfonate (PFOS) induced embryotoxicity and disruption of cardiogenesis.

    PubMed

    Cheng, Wei; Yu, Zhuo; Feng, Lixin; Wang, Yan

    2013-08-01

    Prenatal exposure to perfluorooctane sulfonate (PFOS) is correlated with birth defects and adverse health effects. However, the mechanisms remain largely unknown. In current study, the embryonic stem cell test (EST) was performed to evaluate the embryotoxicity of PFOS, and embryonic stem cells (ESCs)-derived cardiomyocytes were used as a model of the early stages of heart development to determine the developmental toxicity of PFOS. One validated endpoint and three molecular endpoints were observed to ensure accurate evaluation of toxicity. According to the criteria of the EST, PFOS was classified as weak embryotoxic. In addition, a cascade of genes related to normal cardiac development was examined at three different time points to monitor cardiogenesis. We found that PFOS significantly interfered with gene expression during cardiogenesis, especially on Nkx2.5 and Myl4. Further, PFOS reduced ATP production in ESCs-derived cardiomyocytes, together with PFOS induced apoptosis, could explain the reduction in beating ability. PFOS-induced reactive oxygen species (ROS) accumulated within cells, which was accompanied by an interfering expression of apoptosis-related genes, ultimately leading to apoptosis. In conclusion, PFOS altered the expression of crucial genes, reduced ATP production, induced ROS, and stimulated apoptosis during the early stages of cardiogenesis; these effects may result in poor developmental outcomes.

  20. Intestinal Necrosis due to Sodium Polystyrene Sulfonate (Kayexalate) in Sorbitol

    PubMed Central

    McGowan, C. E.; Saha, S.; Chu, G.; Resnick, M. B.; Moss, S. F.

    2013-01-01

    Background Sodium polystyrene sulfonate (SPS, Kayexalate) has been implicated in the development of intestinal necrosis. Sorbitol, added as a cathartic agent, may be primarily responsible. Previous studies have documented bowel necrosis primarily in postoperative, dialysis, and transplant patients. We sought to identify additional clinical characteristics among patients with probable SPS-induced intestinal necrosis. Methods Rhode Island Hospital surgical pathology records were reviewed to identify all gastrointestinal specimens reported as containing SPS crystals from December 1998 to June 2007. Patient demographics, medical comorbidities, and hospital courses of histologically verified cases of intestinal necrosis were extracted from the medical records. Results Twenty-nine patients with reports of SPS crystals were identified. Nine cases were excluded as incidental findings with normal mucosa. Nine patients were excluded as their symptoms began before SPS administration or because an alternate etiology for bowel ischemia was identified. Eleven patients had confirmed intestinal necrosis and a temporal relationship with SPS administration suggestive of SPS-induced necrosis. Only 2 patients were postoperative, and only 4 had end-stage renal disease (ESRD). All patients had documented hyperkalemia, received oral SPS, and developed symptoms of intestinal injury between 3 hours and 11 days after SPS administration. Four patients died. Conclusion Intestinal ischemia is a recognized risk of SPS in sorbitol. Our series highlights that patients may be susceptible even in the absence of ESRD, surgical intervention, or significant comorbidity. PMID:19373153