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Sample records for chromatography-atmospheric pressure chemical

  1. Analysis of insect triacylglycerols using liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Kofroňová, Edita; Cvačka, Josef; Jiroš, Pavel; Sýkora, D.; Valterová, Irena

    2009-01-01

    Roč. 111, č. 5 (2009), s. 519-525 ISSN 1438-7697 R&D Projects: GA AV ČR IAA4055403; GA MŠk 2B06007 Institutional research plan: CEZ:AV0Z40550506 Keywords : atmospheric pressure chemical ionization * bumblebees * fat body * NARP-HPLC Subject RIV: CC - Organic Chemistry Impact factor: 1.831, year: 2009

  2. Identification of major xanthones and steroidal saponins in rat urine by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry technology following oral administration of Rhizoma Anemarrhenae decoction.

    Science.gov (United States)

    Ma, Chunhui; Wang, Longxing; Tang, Yihong; Fan, Mingsong; Xiao, Hongbin; Huang, Chenggang

    2008-10-01

    Rhizoma Anemarrhenae (Zhimu in Chinese), the dried rhizome of Anemarrhena asphodeloides Bge. (Fam. Liliaceae), is a well-known traditional Chinese medicinal herb and has been used clinically in China for centuries to cure various diseases. However, like other traditional Chinese medicines, the effective constituents of this medicine, especially the assimilation and metabolites in vivo, which are very important to show their effects, have not been systematically studied. In this paper, solid-phase extraction and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry technologies were used to study the constituents absorbed into rat urine and their metabolites after oral administration of Rhizoma Anemarrhenae decoction. A total of 11 compounds, including two xanthones, three of their metabolites and six steroidal saponins, were identified in rat urine sample. They were neomangiferin (1), glucuronide and monomethyl conjugate of mangiferin (2), mangiferin (3), monomethyl conjugate of mangiferin (4), dimethyl conjugate of mangiferin (5), timosaponin N or timosaponin E1 (6), timosaponin BII (7), timosaponin BIII (8), anemarrhenasaponin I or anemarrhenasaponin II (9), timosaponin AII (10) and timosaponin AIII (11). The results would efficaciously narrow the potentially active compounds range in Rhizoma Anemarrhenae decoction, and pave a helpful way for follow-up mechanism of action research.

  3. Identification and quantification of antitumor thioproline and methylthioproline in Korean traditional foods by a liquid chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry.

    Science.gov (United States)

    Kim, Sun Hyo; Kim, Hyun-Ji; Shin, Ho-Sang

    2014-11-01

    A liquid chromatography-atmospheric pressure chemical ionization-tandem mass spectrometric method (LC-APCI-MS/MS) has been developed for the sensitive determination of antitumor thioproline and methylthioproline from fermented foods. Thioproline and methylthioproline were derivatized in one step with ethyl chloroformate at room temperature. These compounds were identified and quantified in various traditional Korean fermented foods by LC-APCI-MS/MS. The concentration range of thioproline of each food was found for doenjang (0.011-0.032mg/kg), gochujang (0.010-0.038mg/kg), and ganjang (0.010-0.038mg/kg). Those of methylthioproline of each food was found for doenjang (0.098-0.632mg/kg), gochujang (0.015-0.112mg/kg), and ganjang (0.023-1.468mg/kg). A prolonged aging time leads to an increase in both the thioproline and methylthioproline contents, suggesting that the storage time plays a key role in the formation of thioproline and methylthioproline in Korean traditional foods. The results here suggest that thioproline and methylthioproline are related to the biological activities of traditional Korean fermented foods. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Quantitation of triacylglycerols in edible oils by off-line comprehensive two-dimensional liquid chromatography-atmospheric pressure chemical ionization mass spectrometry using a single column.

    Science.gov (United States)

    Wei, Fang; Hu, Na; Lv, Xin; Dong, Xu-Yan; Chen, Hong

    2015-07-24

    In this investigation, off-line comprehensive two-dimensional liquid chromatography-atmospheric pressure chemical ionization mass spectrometry using a single column has been applied for the identification and quantification of triacylglycerols in edible oils. A novel mixed-mode phenyl-hexyl chromatographic column was employed in this off-line two-dimensional separation system. The phenyl-hexyl column combined the features of traditional C18 and silver-ion columns, which could provide hydrophobic interactions with triacylglycerols under acetonitrile conditions and can offer π-π interactions with triacylglycerols under methanol conditions. When compared with traditional off-line comprehensive two-dimensional liquid chromatography employing two different chromatographic columns (C18 and silver-ion column) and using elution solvents comprised of two phases (reversed-phase/normal-phase) for triacylglycerols separation, the novel off-line comprehensive two-dimensional liquid chromatography using a single column can be achieved by simply altering the mobile phase between acetonitrile and methanol, which exhibited a much higher selectivity for the separation of triacylglycerols with great efficiency and rapid speed. In addition, an approach based on the use of response factor with atmospheric pressure chemical ionization mass spectrometry has been developed for triacylglycerols quantification. Due to the differences between saturated and unsaturated acyl chains, the use of response factors significantly improves the quantitation of triacylglycerols. This two-dimensional liquid chromatography-mass spectrometry system was successfully applied for the profiling of triacylglycerols in soybean oils, peanut oils and lord oils. A total of 68 triacylglycerols including 40 triacylglycerols in soybean oils, 50 triacylglycerols in peanut oils and 44 triacylglycerols in lord oils have been identified and quantified. The liquid chromatography-mass spectrometry data were analyzed

  5. Gas chromatography/atmospheric pressure chemical ionization/mass spectrometry for the analysis of organochlorine pesticides and polychlorinated biphenyls in human serum.

    Science.gov (United States)

    Geng, Dawei; Jogsten, Ingrid Ericson; Dunstan, Jody; Hagberg, Jessika; Wang, Thanh; Ruzzin, Jerome; Rabasa-Lhoret, Rémi; van Bavel, Bert

    2016-07-01

    A method using a novel atmospheric pressure chemical ionization source for coupling gas chromatography (GC/APCI) to triple quadrupole mass spectrometry (MS/MS) for the determination of organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) regulated by the Stockholm Convention is presented. One microliter injection of a six-point calibration curve of native PCBs and OCPs, ranging from 0.04 to 300pg/μL, was performed. The relative standard deviation (RSD) of the relative response factors (RRFs) was less than 15% with a coefficient of determination (r(2))>0.995. Meanwhile, two calibration solutions (CS), CS 2 (0.4pg/μL) and CS 3 (4pg/μL) were analyzed to study the repeatability calculated for both area and RRFs. The RSD for RRF ranged from 3.1 to 16% and 3.6 to 5.5% for CS 2 and CS 3, respectively. The limits of detection (LOD) determined by peak-to-peak signal-to-noise ratio (S/N) of 3 were compared between the GC/APCI/MS/MS and a GC coupled to high resolution mass spectrometry (GC/HRMS) system. GC/APCI/MS/MS resulted in lower LOD for most of the compounds, except for PCB#74, cis-chlordane and trans-chlordane. GC/APCI/MS/MS and GC/HRMS were also compared by performing analysis on 75 human serum samples together with eight QA/QC serum samples. The comparison between GC/APCI/MS/MS system and GC/HRMS system for 16 of the targeted compounds was carried out. No statistically significant difference was discovered. Due to increased sensitivity and user friendly operation under atmospheric pressure, GC/APCI/MS/MS is a powerful alternative technique that can easily meet the specification of GC/HRMS. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Trace analysis of selected hormones and sterols in river sediments by liquid chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry.

    Science.gov (United States)

    Matić, Ivana; Grujić, Svetlana; Jauković, Zorica; Laušević, Mila

    2014-10-17

    In this paper, development and optimization of new LC-MS method for determination of twenty selected hormones, human/animal and plant sterols in river sediments were described. Sediment samples were prepared using ultrasonic extraction and clean up with silica gel/anhydrous sodium sulphate cartridge. Extracts were analyzed by liquid chromatography-linear ion trap-tandem mass spectrometry, with atmospheric pressure chemical ionization. The optimized extraction parameters were extraction solvent (methanol), weight of the sediment (2 g) and time of ultrasonic extraction (3× 10 min). Successful chromatographic separation of hormones (estriol and estrone, 17α- and 17β-estradiol) and four human/animal sterols (epicoprostanol, coprostanol, α-cholestanol and β-cholestanol) that have identical fragmentation reactions was achieved. The developed and optimized method provided high recoveries (73-118%), low limits of detection (0.8-18 ng g(-1)) and quantification (2.5-60 ng g(-1)) with the RSDs generally lower than 20%. Applicability of the developed method was confirmed by analysis of six river sediment samples. A widespread occurrence of human/animal and plant sterols was found. The only detected hormone was mestranol in just one sediment sample. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Triacylglycerols profiling in plant oils important in food industry, dietetics and cosmetics using high-performance liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Lísa, Miroslav; Holcapek, Michal

    2008-07-11

    Optimized non-aqueous reversed-phase high-performance liquid chromatography method using acetonitrile-2-propanol gradient elution and the column coupling in the total length of 45 cm has been applied for the high resolution separation of plant oils important in food industry, dietetics and cosmetics. Positive-ion atmospheric pressure chemical ionization mass spectrometry is used for the unambiguous identification and also the reliable quantitation with the response factors approach. Based on the precise determination of individual triacyglycerol concentrations, the calculation of average parameters important in the nutrition is performed, i.e. average carbon number, average double bond number, relative concentrations of essential, saturated, monounsaturated and polyunsaturated fatty acids. Results are reported in the form of both chromatographic fingerprints and tables containing relative concentrations for all triacylglycerols and fatty acids in individual samples. In total, 264 triacylglycerols consisting of 28 fatty acids with the alkyl chain length from 6 to 26 carbon atoms and 0 to 4 double bonds have been identified in 26 industrial important plant oils.

  8. Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.

    Science.gov (United States)

    Ruttkies, Christoph; Strehmel, Nadine; Scheel, Dierk; Neumann, Steffen

    2015-08-30

    Gas chromatography (GC) coupled to atmospheric pressure chemical ionization quadrupole time-of-flight mass spectrometry (APCI-QTOFMS) is an emerging technology in metabolomics. Reference spectra for GC/APCI-MS/MS barely exist; therefore, in silico fragmentation approaches and structure databases are prerequisites for annotation. To expand the limited coverage of derivatised structures in structure databases, in silico derivatisation procedures are required. A cheminformatics workflow has been developed for in silico derivatisation of compounds found in KEGG and PubChem, and validated on the Golm Metabolome Database (GMD). To demonstrate this workflow, these in silico generated databases were applied together with MetFrag to APCI-MS/MS spectra acquired from GC/APCI-MS/MS profiles of Arabidopsis thaliana and Solanum tuberosum. The Metabolite-Likeness of the original candidate structure was included as additional scoring term aiming at candidate structures of natural origin. The validation of our in silico derivatisation workflow on the GMD showed a true positive rate of 94%. MetFrag was applied to two datasets. In silico derivatisation of the KEGG and PubChem database served as a candidate source. For both datasets the Metabolite-Likeness score improved the identification performance. The derivatised data sources have been included into the MetFrag web application for the annotation of GC/APCI-MS/MS spectra. We demonstrated that MetFrag can support the identification of components from GC/APCI-MS/MS profiles, especially in the (common) case where reference spectra are not available. This workflow can be easily adapted to other types of derivatisation and is freely accessible together with the generated structure databases. Copyright © 2015 John Wiley & Sons, Ltd.

  9. Stereoselective quantification of methadone and a d(6)-labeled isotopomer using high performance liquid chromatography-atmospheric pressure chemical ionization mass-spectrometry: application to a pharmacokinetic study in a methadone maintained subject.

    Science.gov (United States)

    Foster, David J R; Morton, Erin B; Heinkele, Georg; Mürdter, Thomas E; Somogyi, Andrew A

    2006-08-01

    There is evidence that the apparent oral clearance of rac-methadone is induced during the early phase of methadone maintenance treatment. However, it is not known if this is due to changes in bioavailability or if this phenomenon is stereoselective. This knowledge can be obtained by administering a dose of stable-labeled methadone at selected times during ongoing treatment. Therefore, the authors developed a stereoselective high performance liquid chromatography-atmospheric pressure chemical ionization mass-spectrometry assay for the quantification of the enantiomers of methadone and a d(6)-labeled isotopomer. The compounds were quantified in a single assay after liquid-liquid extraction and stereoselective high performance liquid chromatograph with atmospheric pressure chemical ionization-mass spectrometry detection. The following ions were monitored: m/z 310.15 for unlabeled methadone; m/z 316.15 for methadone-d(6); and m/z 313.15 for the methadone-d(3) (internal standard). Calibration curves ranged from 0.5 to 75 ng/mL for each compound. Extraction recovery was approximately 80% for all analytes, without evidence of differences between the unlabeled and stable-labeled compounds or concentration dependency. Minor ion promotion was observed (d(3)-labeled internal standard, with peak area ratios in extracted samples identical to control injections. The isotopomers did not alter each others' ionisation, even at 10:1 concentration ratios, and 10-fold diluted samples were within 10% of the nominal concentration. Assay performance was acceptable, with interassay and intra-assay bias and precision d(6) in a patient receiving chronic oral methadone maintenance therapy.

  10. Solid-phase extraction combined with high-performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry analysis of pesticides in water: method performance and application in a reconnaissance survey of residues in drinking water in Greater Cairo, Egypt.

    Science.gov (United States)

    Potter, Thomas L; Mohamed, Mahmoud A; Ali, Hannah

    2007-01-24

    Monitoring of water resources for pesticide residues is often needed to ensure that pesticide use does not adversely impact the quality of public water supplies or the environment. In many rural areas and throughout much of the developing world, monitoring is often constrained by lack of testing facilities; thus, collection of samples and shipment to centralized laboratories for analysis is required. The portability, ease of use, and potential to enhance analyte stability make solid-phase extraction (SPE) an attractive technique for handling water samples prior to their shipment. We describe performance of an SPE method targeting a structurally diverse mixture of 25 current-use pesticides and two common degradates in samples of raw and filtered drinking water collected in Greater Cairo, Egypt. SPE was completed in a field laboratory in Egypt, and cartridges were shipped to the United States for elution and high-performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry analysis. Quantitative and reproducible recovery of 23 of 27 compounds (average = 96%; percent relative standard deviation = 21%) from matrix spikes (1 microg L-1 per component) prepared in the field and from deionized water fortified similarly in the analytical laboratory was obtained. Concurrent analysis of unspiked samples identified four parent compounds and one degradate in drinking water samples. No significant differences were observed between raw and filtered samples. Residue levels in all cases were below drinking water and "harm to aquatic-life" thresholds, indicating that human and ecological risks of pesticide contamination were relatively small; however, the study was limited in scale and scope. Further monitoring is needed to define spatial and temporal variation in residue concentrations. The study has demonstrated the feasibility of performing studies of this type using SPE to extract and preserve samples in the field. The approach should be broadly

  11. Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry

    Science.gov (United States)

    Lung, Shih-Chun Candice; Liu, Chun-Hu

    2015-01-01

    Polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs are ubiquitous in the environment. Some of them are probable carcinogens and some are source markers. This work presents an ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry (UHPLC-APPI-MS/MS) method for simultaneous analysis of 20 PAHs and nine nitro-PAHs. These compounds are separated in 15 minutes in the positive mode and 11 minutes in the negative mode, one half of GC/MS analysis time. Two pairs of precursor/product ions are offered, which is essential for confirmation. This method separates and quantifies benzo[a]pyrene (the most toxic PAHs) and non-priority benzo[e]pyrene (isomers, little toxicity) to avoid overestimation of toxin levels, demonstrating its importance for health-related researches. With 0.5% 2,4-difluoroanisole in chlorobenzene as the dopant, limits of detection of PAHs except acenaphthylene and those of nitro-PAHs except 2-nitrofluoranthene are below 10 pg and 3 pg, respectively, mostly lower than or comparable to those reported using LC-related systems. The responses were linear over two orders of magnitude with fairly good accuracy and precision. Certified reference materials and real aerosol samples were analyzed to demonstrate its applicability. This fast, sensitive, and reliable method is the first UHPLC-APPI-MS/MS method capable of simultaneously analyzing 29 environmentally and toxicologically important PAHs and nitro-PAHs. PMID:26265155

  12. Analysis of wax ester molecular species by high performance liquid chromatography/atmospheric pressure chemical ionisation mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Vrkoslav, Vladimír; Urbanová, Klára; Cvačka, Josef

    2010-01-01

    Roč. 1217, č. 25 (2010), s. 4184-4194 ISSN 0021-9673 R&D Projects: GA ČR GA203/09/0139 Institutional research plan: CEZ:AV0Z40550506 Keywords : Beeswax * Branched esters * Human hair * Jojoba * Mass spectrometry Subject RIV: CC - Organic Chemistry Impact factor: 4.194, year: 2010

  13. Determination of sulfonamides in meat by liquid chromatography coupled with atmospheric pressure chemical ionization mass spectrometry

    International Nuclear Information System (INIS)

    Kim, Dal Ho; Choi, Jong Oh; Kim, Jin Seog; Lee, Dai Woon

    2002-01-01

    Liquid chromatography/atmospheric pressure chemical ionization-mass spectrometry (LC-APCI-MS) has been used for the determination of sulfonamides in meat. Five typical sulfonamides were selected as target compounds, and beef meat was selected as a matrix sample. As internal standards, sulfapyridine and isotope labeled sulfamethazine ( 13 C 6 -SMZ) were used. Compared to the results of recent reports, our results have shown improved precision to a RSD of 1.8% for the determination of sulfamethazine spiked with 75 ng/g level in meat

  14. Localization of double bonds in triacylglycerols using high-performance liquid chromatography/atmospheric pressure chemical ionization ion-trap mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Háková, Eva; Vrkoslav, Vladimír; Míková, Radka; Schwarzová-Pecková, K.; Bosáková, Z.; Cvačka, Josef

    2015-01-01

    Roč. 407, č. 17 (2015), s. 5175-5188 ISSN 1618-2642 R&D Projects: GA ČR GAP206/12/0750 Institutional support: RVO:61388963 Keywords : double bond * gas-phase chemistry * lipidomics * olive oil * vernix caseosa Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.125, year: 2015

  15. Determination of phenolic derivatives of antipyrine in plasma with solid-phase extraction and high-performance liquid chromatography-atmospheric-pressure chemical ionization mass spectrometry

    NARCIS (Netherlands)

    Coolen, S.A.J.; Ligor, T.; Lieshout, van H.P.M.; Huf, F.A.

    1999-01-01

    This manuscript describes a method to determine antipyrine and its phenolic derivatives in plasma by reversed-phase high-performance liquid chromatography–mass spectrometry (RP-HPLC–MS). The sample pretreatment consisted of a C18 solid-phase extraction (SPE), to remove the salts and proteins. The

  16. Search for Non-Volatile Components with Low Polarity Characterizing Tobacco Leaves Using Liquid Chromatography / Atmospheric Pressure Chemical Ionization Mass Spectrometry Detector

    Directory of Open Access Journals (Sweden)

    Ishida Naoyuki

    2015-06-01

    Full Text Available Alors que les regards se sont principalement tournés sur les composants à faible polarité dans la résine de feuilles de tabac en raison de leur lien probable avec le goût et l’arôme des produits du tabac, l’absence d’une méthode praticable et d’un outil analytique a longtemps fait obstacle à l’identification des composants non-volatils à faible polarité. L’auteur a, en l’occurrence, porté son attention sur l’analyse recourant à la chromatographie en phase inverse non aqueuse couplée à un détecteur à barrettes de photodiodes et à un détecteur de spectrométrie de masse par ionisation chimique à pression atmosphérique. Cette analyse fut considérée applicable à la séparation des composants nonvolatils significatifs mais inconnus. Son application a permis, avec succès, de séparer, détecter et quantifier simultanément plus de 100 composants non-volatils présentant des polarités faibles et différenciées. Ces composantes furent, entre autres, des solanésols, des triacylglycérides, des phytostérols et des chlorophylles. Cependant, les données concernant les différences de composition parmi les diverses feuilles de tabac demeurent encore partielles et basées sur une analyse ciblée plutôt que globales et basées sur une analyse exhaustive. Aucune étude n’a été, à ce jour, accomplie qui recense les composants essentiels permettant de distinguer, parmi les feuilles de tabac, les différents goûts, arômes, variétés, cultivars, processus de séchage et régions de culture. Par conséquent, toutes les données de quantification ont été consolidées dans le but de former une matrice multidimensionnelle complète et ont subi un traitement statistique qui a mis en exergue les catégories et les composants-clés des diverses feuilles de tabac grâce à une analyse en composantes principales et une classification hiérarchique. Les feuilles de tabac ont, dans un premier temps, été ventilées en trois catégories comprenant le tabac jaune de Virginie, les feuilles séchées à l’air et le tabac d’Orient. Les esters de solanésyle, les esters de phytostéryle et le solanachromène ont été recensés dans la catégorie du tabac jaune de Virginie tandis que les feuilles séchées à l’air se sont démarquées par la présence de phytostérols libres. Le tabac d’Orient s'est distingué par sa teneur en chlorophylles, en plus des composants contributifs du tabac jaune de Virginie. Les composants non-volatiles à faible polarité semblent subir une dégradation durant le séchage et donc distinguer les divers processus de séchage des différentes feuilles de tabac.

  17. Analysis of 1,2-diol diesters in vernix caseosa by high-performance liquid chromatography - atmospheric pressure chemical ionization mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Šubčíková, L.; Hoskovec, Michal; Vrkoslav, Vladimír; Čmelíková, T.; Háková, Eva; Míková, Radka; Coufal, P.; Doležal, A.; Plavka, R.; Cvačka, Josef

    2015-01-01

    Roč. 1378, Jan 23 (2015), s. 8-18 ISSN 0021-9673 R&D Projects: GA ČR GAP206/12/0750 Institutional support: RVO:61388963 Keywords : skin lipids * neutral lipids * lipidomics * mass spectrometry * double-bond position Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.926, year: 2015

  18. Regioisomeric analysis of triacylglycerols using silver-ion liquid chromatography-atmospheric pressure chemical ionization mass spectrometry: Comparison of five different mass analyzers

    Czech Academy of Sciences Publication Activity Database

    Holčapek, M.; Dvořáková, H.; Lísa, M.; Girón, A. J.; Sandra, P.; Cvačka, Josef

    2010-01-01

    Roč. 1217, č. 52 (2010), s. 8186-8194 ISSN 0021-9673 R&D Projects: GA ČR GA203/09/0139 Institutional research plan: CEZ:AV0Z40550506 Keywords : triacylglycerols * silver-ion liquid chromatography * regioisomer * HPLC/MS * APCI Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.194, year: 2010

  19. Analytical capabilities of high performance liquid chromatography - Atmospheric pressure photoionization - Orbitrap mass spectrometry (HPLC-APPI-Orbitrap-MS) for the trace determination of novel and emerging flame retardants in fish.

    Science.gov (United States)

    Zacs, D; Bartkevics, V

    2015-10-22

    A new analytical method was established and validated for the analysis of 27 brominated flame retardants (BFRs), including so called "emerging" and "novel" BFRs (EBFRs and NBFRs) in fish samples. High performance liquid chromatography (HPLC) coupled to Orbitrap mass spectrometry (Orbitrap-MS) employing atmospheric pressure photoionization (APPI) interface operated in negative mode was used for the identification/quantitation of contaminants. HPLC-Orbitrap-MS analysis provided a fast separation of selected analytes within 14 min, thus demonstrating a high throughput processing of samples. The developed methodology was tested by intralaboratory validation in terms of recovery, repeatability, linear calibration ranges, instrumental and method limits of quantitation (i-LOQ and m-LOQ), and where possible, trueness was verified by analysis of certified reference materials (CRMs). Recoveries of analytes were between 80 and 119%, while the repeatability in terms of relative standard deviations (RSDs) was in the range from 1.2 to 15.5%. The measured values for both analyzed CRMs agreed with the provided consensus values, revealing the recovery of reference concentrations in 72-119% range. The elaborated method met the sensitivity criterion according to Commission Recommendation 2014/118/EU on monitoring of BFRs in food products for majority of the compounds. The concentrations of polybrominated diphenyl ethers (PBDEs) in real samples determined by HPLC-APPI-Orbitrap-MS method and validated gas chromatography-high-resolution mass spectrometry (GC-HRMS) method were found to be in a good agreement. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.; Sioud, Salim

    2012-01-01

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  1. Investigation of the ionization mechanism of polycyclic aromatic hydrocarbons using an ethanol/bromobenzene/chlorobenzene/anisole mixture as a dopant in liquid chromatography/atmospheric pressure photoionization mass spectrometry

    KAUST Repository

    Amad, Maan H.

    2012-09-23

    RATIONALE An ethanol-based multicomponent dopant consisting of ethanol/chlorobenzene/bromobenzene/anisole (98.975:0.1:0.9:0.025, v/v/v/v) has been used as a dopant for atmospheric pressure photoionization (APPI) of polycyclic aromatic hydrocarbons (PAHs). In this study the mechanism of ionization of PAHs assisted by the ethanol-based multicomponent dopant is investigated. METHODS The reactant background cluster ions of the ethanol-based multicomponent dopant observed in the positive ion APPI were studied. These studies were performed to investigate the mechanism behind the generation of a molecular radical cation (M +•) for PAHs by APPI assisted by the ethanol-based multicomponent dopant. Full scan and MS/MS analyses were conducted using an LTQ Orbitrap mass spectrometer. The effect of acidification of the mobile phase on the dopant cluster ion formation was also investigated. RESULTS With the ethanol-based multicomponent dopant, a single type of molecular radical cation M +• was observed for the studied PAHs. The characteristic ion signal of the multicomponent dopant mixture consisted of mainly anisole photoions at m/z 108.05697 and its adduct ions at m/z 124.05188 and 164.07061. The anisole ion response at m/z 108.05697 was stable in the presence of acetonitrile, methanol, water and 0.1% formic acid mobile phase composition. CONCLUSIONS The abundance formation of anisole photoions shows the universality of this multicomponent dopant in ionizing compounds with ionization energy ranging from 7.1-8.2 eV. Since the ionization energy of anisole is 8.2 eV and is lower than those of chlorobenzene (9.07 eV) and bromobenzene (9.0 eV), the mechanism of formation of anisole photoions even with its very minute amounts was not only governed by its photoionization by the krypton lamp photon energy (10.0 eV and 10.6 eV), but also by charge transfer from bromobenzene and chlorobenzene radical cations. PAH molecules were mainly ionized by charge transfer reaction from

  2. High-performance liquid chromatography-atmospheric pressure chemical ionization mass spectrometry and gas chromatography-flame ionization detection chracterization of delta 5-polyenoic fatty acids in triacylglycerols from conifer seed oils

    Czech Academy of Sciences Publication Activity Database

    Lísa, M.; Holčapek, M.; Řezanka, Tomáš; Kabátová, N.

    2007-01-01

    Roč. 1146, - (2007), s. 67-77 ISSN 0021-9673 R&D Projects: GA ČR GA203/06/0219 Grant - others:GA ČR(CZ) GA203/05/2106 Program:GA Institutional research plan: CEZ:AV0Z50200510 Keywords : conifer seed oil * triacylglycerol * triglyceride Subject RIV: EE - Microbiology, Virology Impact factor: 3.641, year: 2007

  3. Bonding pathways of high-pressure chemical transformations

    International Nuclear Information System (INIS)

    Hu Anguang; Zhang Fan

    2013-01-01

    A three-stage bonding pathway towards high-pressure chemical transformations from molecular precursors or intermediate states has been identified by first-principles simulations. With the evolution of principal stress tensor components in the response of chemical bonding to compressive loading, the three stages can be defined as the van der Waals bonding destruction, a bond breaking and forming reaction, and equilibrium of new bonds. The three-stage bonding pathway leads to the establishment of a fundamental principle of chemical bonding under compression. It reveals that during high-pressure chemical transformation, electrons moving away from functional groups follow anti-addition, collision-free paths to form new bonds in counteracting the local stress confinement. In applying this principle, a large number of molecular precursors were identified for high-pressure chemical transformations, resulting in new materials. (fast track communication)

  4. Pressure vessel steels: influence of chemical composition on irradiation sensitivity

    International Nuclear Information System (INIS)

    Ghoniem, M.M.; Hammad, F.H.

    1998-01-01

    Neutron irradiation of the steels used in the construction of the nuclear reactor pressure vessels can lead to the embrittlement of these materials, increasing the ductile-to-brittle transition temperature and decreasing the fracture energy, which can limit the plant life. The knowledge of irradiation embrittlement and the means for minimizing such degradation is therefore important in the field of assuring the safety of the nuclear power plants. Irradiation embrittlement is quite a complex process. It involves many variables. The most important of these are irradiation temperature, neutron fluence (neutron dose), neutron flux (neutron dose rate), and chemical composition of the irradiated material. This paper is concerned with the effect of chemical composition, the role of residual and alloying elements in the irradiation embrittlement of nuclear reactor pressure vessel steels in light water reactors. It presents a critical review for the published work in this field through the last 25 years

  5. Low pressure chemical vapour deposition of temperature resistant colour filters

    International Nuclear Information System (INIS)

    Verheijen, J.; Bongaerts, P.; Verspui, G.

    1987-01-01

    The possibility to deposit multilayer colour filters, based on optical inference, by means of Low Pressure Chemical Vapour Deposition (LPCVD) was investigated. The filters were made in a standard LPCVD system by alternate deposition of Si/sub 3/N/sub 4/ and SiO/sub 2/ layers. This resulted in filters with excellent colour uniformity on glass and quartz substrates. No difference was measured between theoretically calculated transmission and the transmission of the filters deposited by LPCVD. Temperature treatment at 600 0 C in air air showed no deterioration of filter quality and optical properties

  6. A Simultaneous Analytical Method to Profile Non-Volatile Components with Low Polarity Elucidating Differences Between Tobacco Leaves Using Atmospheric Pressure Chemical Ionization Mass Spectrometry Detection

    Directory of Open Access Journals (Sweden)

    Ishida Naoyuki

    2016-04-01

    Full Text Available A comprehensive analytical method using liquid chromatography atmospheric pressure chemical ionization mass spectrometry detector (LC/APCI-MSD was developed to determine key non-volatile components with low polarity elucidating holistic difference among tobacco leaves. Nonaqueous reversed-phase chromatography (NARPC using organic solvent ensured simultaneous separation of various components with low polarity in tobacco resin. Application of full-scan mode to APCI-MSD hyphenated with NARPC enabled simultaneous detection of numerous intense product ions given by APCI interface. Parameters for data processing to filter, feature and align peaks were adjusted in order to strike a balance between comprehensiveness and reproducibility in analysis. 63 types of components such as solanesols, chlorophylls, phytosterols, triacylglycerols, solanachromene and others were determined on total ion chromatograms according to authentic components, wavelength spectrum and mass spectrum. The whole area of identified entities among the ones detected on total ion chromatogram reached to over 60% and major entities among those identified showed favorable linearity of determination coefficient of over 0.99. The developed method and data processing procedure were therefore considered feasible for subsequent multivariate analysis. Data matrix consisting of a number of entities was then subjected to principal component analysis (PCA and hierarchical clustering analysis. Cultivars of tobacco leaves were distributed far from each cultivar on PCA score plot and each cluster seemed to be characterized by identified non-volatile components with low polarity. While fluecured Virginia (FCV was loaded by solanachromene, phytosterol esters and triacylglycerols, free phytosterols and chlorophylls loaded Burley (BLY and Oriental (ORI respectively. Consequently the whole methodology consisting of comprehensive method and data processing procedure proved useful to determine key

  7. Atmospheric Pressure Plasma Induced Sterilization and Chemical Neutralization

    Science.gov (United States)

    Garate, Eusebio; Evans, Kirk; Gornostaeva, Olga; Alexeff, Igor; Lock Kang, Weng; Wood, Thomas K.

    1998-11-01

    We are studying chemical neutralization and surface decontamination using atmospheric pressure plasma discharges. The plasma is produced by corona discharge from an array of pins and a ground plane. The array is constructed so that various gases, like argon or helium, can be flowed past the pins where the discharge is initiated. The pin array can be biased using either DC, AC or pulsed discharges. Results indicate that the atmospheric plasma is effective in sterilizing surfaces with biological contaminants like E-coli and bacillus subtilus cells. Exposure times of less than four minutes in an air plasma result in a decrease in live colony counts by six orders of magnitude. Greater exposure times result in a decrease of live colony counts of up to ten orders of magnitude. The atmospheric pressure discharge is also effective in decomposing organic phosphate compounds that are simulants for chemical warfare agents. Details of the decomposition chemistry, by-product formation, and electrical energy consumption of the system will be discussed.

  8. Correlation of chemical evaporation rate with vapor pressure.

    Science.gov (United States)

    Mackay, Donald; van Wesenbeeck, Ian

    2014-09-02

    A new one-parameter correlation is developed for the evaporation rate (ER) of chemicals as a function of molar mass (M) and vapor pressure (P) that is simpler than existing correlations. It applies only to liquid surfaces that are unaffected by the underlying solid substrate as occurs in the standard ASTM evaporation rate test and to quiescent liquid pools. The relationship has a sounder theoretical basis than previous correlations because ER is correctly correlated with PM rather than P alone. The inclusion of M increases the slope of previous log ER versus log P regressions to a value close to 1.0 and yields a simpler one-parameter correlation, namely, ER (μg m(-1) h(-1)) = 1464P (Pa) × M (g mol(-1)). Applications are discussed for the screening level assessment and ranking of chemicals for evaporation rate, such as pesticides, fumigants, and hydrocarbon carrier fluids used in pesticide formulations, liquid consumer products used indoors, and accidental spills of liquids. The mechanistic significance of the single parameter as a mass-transfer coefficient or velocity is discussed.

  9. Hydrocarbon analysis using desorption atmospheric pressure chemical ionization

    KAUST Repository

    Jjunju, Fred Paul Mark; Badu-Tawiah, Abraham K.; Li, Anyin; Soparawalla, Santosh; Roqan, Iman S.; Cooks, Robert Graham

    2013-01-01

    Characterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.

  10. Hydrocarbon analysis using desorption atmospheric pressure chemical ionization

    KAUST Repository

    Jjunju, Fred Paul Mark

    2013-07-01

    Characterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.

  11. Advancements, Challenges and Prospects of Chemical Vapour Pressure at Atmospheric Pressure on Vanadium Dioxide Structures

    Directory of Open Access Journals (Sweden)

    Charalampos Drosos

    2018-03-01

    Full Text Available Vanadium (IV oxide (VO2 layers have received extensive interest for applications in smart windows to batteries and gas sensors due to the multi-phases of the oxide. Among the methods utilized for their growth, chemical vapour deposition is a technology that is proven to be industrially competitive because of its simplicity when performed at atmospheric pressure (APCVD. APCVD’s success has shown that it is possible to create tough and stable materials in which their stoichiometry may be precisely controlled. Initially, we give a brief overview of the basic processes taking place during this procedure. Then, we present recent progress on experimental procedures for isolating different polymorphs of VO2. We outline emerging techniques and processes that yield in optimum characteristics for potentially useful layers. Finally, we discuss the possibility to grow 2D VO2 by APCVD.

  12. Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization.

    Science.gov (United States)

    Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

    2016-08-01

    The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of polarities, gas-phase ionization energies, and proton affinities. Chlorobenzene was used as the dopant, and methanol/water (80/20) as the solvent. In both techniques, analytes formed the same ions (radical cations, protonated molecules, and/or fragments). However, in DA-APCI, the relative efficiency of charge exchange versus proton transfer was lower than in DA-APPI. This is suggested to be because in DA-APCI both dopant and solvent clusters can be ionized, and the formed reagent ions can react with the analytes via competing charge exchange and proton transfer reactions. In DA-APPI, on the other hand, the main reagents are dopant-derived radical cations, which favor ionization of analytes via charge exchange. The efficiency of charge exchange in both DA-APPI and DA-APCI was shown to depend heavily on the solvent flow rate, with best efficiency seen at lowest flow rates studied (0.05 and 0.1 mL/min). Both DA-APCI and DA-APPI showed the radical cation of chlorobenzene at 0.05-0.1 mL/min flow rate, but at increasing flow rate, the abundance of chlorobenzene M(+.) decreased and reagent ion populations deriving from different gas-phase chemistry were recorded. The formation of these reagent ions explains the decreasing ionization efficiency and the differences in charge exchange between the techniques. Graphical Abstract ᅟ.

  13. From simple to complex and backwards. Chemical reactions under very high pressure

    International Nuclear Information System (INIS)

    Bini, Roberto; Ceppatelli, Matteo; Citroni, Margherita; Schettino, Vincenzo

    2012-01-01

    Highlights: ► High pressure reactivity of several molecular systems. ► Reaction kinetics and dynamics in high density conditions. ► Key role of optical pumping and electronic excitation. ► Perspectives for the synthesis of hydrogen. - Abstract: High pressure chemical reactions of molecular systems are discussed considering the various factors that can affect the reactivity. These include steric hindrance and geometrical constraints in the confined environment of crystals at high pressure, changes of the free energy landscape with pressure, photoactivation by two-photon absorption, local and collective effects. A classification of the chemical reactions at high pressure is attempted on the basis of the prevailing factors.

  14. Use of hydrostatic pressure for modulation of protein chemical modification and enzymatic selectivity.

    Science.gov (United States)

    Makarov, Alexey A; Helmy, Roy; Joyce, Leo; Reibarkh, Mikhail; Maust, Mathew; Ren, Sumei; Mergelsberg, Ingrid; Welch, Christopher J

    2016-05-11

    Using hydrostatic pressure to induce protein conformational changes can be a powerful tool for altering the availability of protein reactive sites and for changing the selectivity of enzymatic reactions. Using a pressure apparatus, it has been demonstrated that hydrostatic pressure can be used to modulate the reactivity of lysine residues of the protein ubiquitin with a water-soluble amine-specific homobifunctional coupling agent. Fewer reactive lysine residues were observed when the reaction was carried out under elevated pressure of 3 kbar, consistent with a pressure-induced conformational change of ubiquitin that results in fewer exposed lysine residues. Additionally, modulation of the stereoselectivity of an enzymatic transamination reaction was observed at elevated hydrostatic pressure. In one case, the minor diasteromeric product formed at atmospheric pressure became the major product at elevated pressure. Such pressure-induced alterations of protein reactivity may provide an important new tool for enzymatic reactions and the chemical modification of proteins.

  15. Normal pressure hydrocephalus. Influences on cerebral hemodynamic and cerebrospinal fluid pressure--chemical autoregulation

    International Nuclear Information System (INIS)

    Meyer, J.S.; Tachibana, H.; Hardenberg, J.P.; Dowell, R.E. Jr.; Kitagawa, Y.; Mortel, K.F.

    1984-01-01

    Blood flow in the cerebral gray matter was measured in normal pressure hydrocephalus and Alzheimer disease by 133Xe inhalation. Flow values in the frontal and temporal gray matter increased after lowering cerebrospinal fluid (CSF) pressure by lumbar puncture in normal pressure hydrocephalus (p less than 0.05) and also after shunting. One case with cerebral complications did not improve clinically. In Alzheimer disease the reverse (decreases in flow in the gray matter) occurred after removal of CSF. Normal pressure hydrocephalus was associated with impaired cerebral vasomotor responsiveness during 100% oxygen and 5% carbon dioxide inhalation. This complication was restored toward normal after CSF removal and/or shunting. Cerebral blood flow measurements appear to be useful for confirming the diagnosis of normal pressure hydrocephalus and predicting the clinical benefit from shunting

  16. Characterization of typical chemical background interferences in atmospheric pressure ionization liquid chromatography-mass spectrometry

    NARCIS (Netherlands)

    Guo, Xinghua; Bruins, Andries P.; Covey, Thomas R.

    2006-01-01

    The structures and origins of typical chemical background noise ions in positive atmospheric pressure ionization liquid chromatography/mass spectrometry (API LC/MS) are investigated and summarized in this study. This was done by classifying chemical background ions using precursor and product ion

  17. Influence of arc current and pressure on non-chemical equilibrium air arc behavior

    Science.gov (United States)

    Yi, WU; Yufei, CUI; Jiawei, DUAN; Hao, SUN; Chunlin, WANG; Chunping, NIU

    2018-01-01

    The influence of arc current and pressure on the non-chemical equilibrium (non-CE) air arc behavior of a nozzle structure was investigated based on the self-consistent non-chemical equilibrium model. The arc behavior during both the arc burning and arc decay phases were discussed at different currents and different pressures. We also devised the concept of a non-equilibrium parameter for a better understanding of non-CE effects. During the arc burning phase, the increasing current leads to a decrease of the non-equilibrium parameter of the particles in the arc core, while the increasing pressure leads to an increase of the non-equilibrium parameter of the particles in the arc core. During the arc decay phase, the non-CE effect will decrease by increasing the arc burning current and the nozzle pressure. Three factors together—convection, diffusion and chemical reactions—influence non-CE behavior.

  18. Chemical and Hydrostatic Pressure in Natrolites: Pressure Induced Hydration of an Aluminogermanate Natrolite

    International Nuclear Information System (INIS)

    Lee, Y.; Kao, C.; Seoung, D.H.; Bai, J.; Kao, C.C.; Parise, J.B.; Vogt, T.

    2010-01-01

    The ambient structure and pressure-induced structural changes of a synthetic sodium aluminogermanate with a natrolite (NAT) framework topology (Na-AlGe-NAT) were characterized by using Rietveld refinements of high-resolution synchrotron X-ray powder diffraction data at ambient and high pressures. Unlike a previously established model for Na 8 Al 8 Ge 12 O 40 · 8H 2 O based on a single-crystal study, the ambient structure of the Na-AlGe-NAT is found to adopt a monoclinic space group Cc (or Fd) with a ca. 6% expanded unit cell. The refined ambient structure of Na 8 Al 8 Ge 12 O 40 · 12H 2 O indicates an increased water content of 50%, compared to the single-crystal structure. The unit-cell volume and water-content relationships observed between the two Na-AlGe-NAT structures at ambient conditions with 8 and 12 H 2 O respectively seem to mirror the ones found under hydrostatic pressure between the Na 8 Al 8 Ge 12 O 40 · 8H 2 O and the parantrolite phase Na 8 Al 8 Ge 12 O 40 · 12H 2 O. Under hydrostatic pressures mediated by a pore-penetrating alcohol and water mixture, the monoclinic Na-AlGe-NAT exhibits a gradual decrease of the unit-cell volume up to ca. 2.0 GPa, where the unit-cell volume then contracts abruptly by ca. 4.6%. This is in marked contrast to what is observed in the Na-AlSi-NAT and Na-GaSi-NAT systems, where one observes a pressure-induced hydration and volume expansion due to the auxetic nature of the frameworks. Above 2 GPa, the monoclinic phase of Na-AlGe-NAT transforms into a tetragonal structure with the unit-cell composition of Na 8 Al 8 Ge 12 O 40 · 16H 2 O, revealing pressure-induced hydration and a unit cell volume contraction. Unlike in the Na-Al,Si-paranatrolite phase, however, the sodium cations in the Na-AlGe-NAT maintain a 6-fold coordination in the monoclinic structure and only become 7-fold coordinated at higher pressures in the tetragonal structure. When comparing the pressure-induced hydration in the observed natrolite

  19. Confined high-pressure chemical deposition of hydrogenated amorphous silicon.

    Science.gov (United States)

    Baril, Neil F; He, Rongrui; Day, Todd D; Sparks, Justin R; Keshavarzi, Banafsheh; Krishnamurthi, Mahesh; Borhan, Ali; Gopalan, Venkatraman; Peacock, Anna C; Healy, Noel; Sazio, Pier J A; Badding, John V

    2012-01-11

    Hydrogenated amorphous silicon (a-Si:H) is one of the most technologically important semiconductors. The challenge in producing it from SiH(4) precursor is to overcome a significant kinetic barrier to decomposition at a low enough temperature to allow for hydrogen incorporation into a deposited film. The use of high precursor concentrations is one possible means to increase reaction rates at low enough temperatures, but in conventional reactors such an approach produces large numbers of homogeneously nucleated particles in the gas phase, rather than the desired heterogeneous deposition on a surface. We report that deposition in confined micro-/nanoreactors overcomes this difficulty, allowing for the use of silane concentrations many orders of magnitude higher than conventionally employed while still realizing well-developed films. a-Si:H micro-/nanowires can be deposited in this way in extreme aspect ratio, small-diameter optical fiber capillary templates. The semiconductor materials deposited have ~0.5 atom% hydrogen with passivated dangling bonds and good electronic properties. They should be suitable for a wide range of photonic and electronic applications such as nonlinear optical fibers and solar cells. © 2011 American Chemical Society

  20. Study of the influence of high hydrostatic pressure on wine chemical and sensorial characteristics

    OpenAIRE

    Santos, Mickael da Costa

    2015-01-01

    During the last years, the use of high hydrostatic pressure (HHP) as a non-thermal technology for preservation or aging of wine has increased substantially in the academic community. However, HHP treated wine has been only analysed after the pressure treatment, with no knowledge available on the effects of HHP during subsequent storage. The results presented in this thesis showed that HHP treatments influence the chemical and sensorial properties of wine during storage. The application of ...

  1. Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions

    International Nuclear Information System (INIS)

    Antillon, Edwin; Banlusan, Kiettipong; Strachan, Alejandro

    2014-01-01

    We extend a thermally accurate model for coarse grain dynamics (Strachan and Holian 2005 Phys. Rev. Lett. 94 014301) to enable the description of stress-induced chemical reactions in the degrees of freedom internal to the mesoparticles. Similar to the breathing sphere model, we introduce an additional variable that describes the internal state of the particles and whose dynamics is governed both by an internal potential energy function and by interparticle forces. The equations of motion of these new variables are derived from a Hamiltonian and the model exhibits two desired features: total energy conservation and Galilean invariance. We use a simple model material with pairwise interactions between particles and study pressure-induced chemical reactions induced by hydrostatic and uniaxial compression. These examples demonstrate the ability of the model to capture non-trivial processes including the interplay between mechanical, thermal and chemical processes of interest in many applications. (paper)

  2. Characterization of Nitrated Sugar Alcohols by Atmospheric-Pressure Chemical-Ionization Mass Spectrometry

    Science.gov (United States)

    2016-07-27

    Chemical, Microsystem, and Nanoscale Technology Group MIT-Lincoln Laboratory, Lexington, MA 02420 jude.kelley@ll.mit.edu RATIONALE: The...formed by the loss of NO2, HNO2, NO3, and CH2NO2 groups , and in the presence of dichloromethane chlorinated adduct ions were observed. It was determined...explosives trace detection, such as electrospray ionization ( ESI ) and atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) along

  3. Low-pressure chemical vapor deposition as a tool for deposition of thin film battery materials

    NARCIS (Netherlands)

    Oudenhoven, J.F.M.; Dongen, van T.; Niessen, R.A.H.; Croon, de M.H.J.M.; Notten, P.H.L.

    2009-01-01

    Low Pressure Chemical Vapor Deposition was utilized for the deposition of LiCoO2 cathode materials for all-solid-state thin-film micro-batteries. To obtain insight in the deposition process, the most important process parameters were optimized for the deposition of crystalline electrode films on

  4. Process for carrying out a chemical reaction with ionic liquid and carbon dioxide under pressure

    NARCIS (Netherlands)

    Kroon, M.C.; Shariati, A.; Florusse, L.J.; Peters, C.J.; Van Spronsen, J.; Witkamp, G.J.; Sheldon, R.A.; Gutkowski, K.I.

    2006-01-01

    The invention is directed to a process for carrying out a chemical reaction in an ionic liquid as solvent and CO2 as cosolvent, in which process reactants are reacted in a homogeneous phase at selected pressure and temperature to generate a reaction product at least containing an end-product of the

  5. Achieving uniform layer deposition by atmospheric-pressure plasma-enhanced chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jae-Ok [Department of Plasma Engineering, Korea Institute of Machinery & Materials (KIMM), Daejeon 305-343 (Korea, Republic of); Kang, Woo Seok, E-mail: kang@kimm.re.kr [Department of Plasma Engineering, Korea Institute of Machinery & Materials (KIMM), Daejeon 305-343 (Korea, Republic of); Department of Environment & Energy Mechanical Engineering, University of Science & Technology (UST), Daejeon 305-350 (Korea, Republic of); Hur, Min; Lee, Jin Young [Department of Plasma Engineering, Korea Institute of Machinery & Materials (KIMM), Daejeon 305-343 (Korea, Republic of); Song, Young-Hoon [Department of Plasma Engineering, Korea Institute of Machinery & Materials (KIMM), Daejeon 305-343 (Korea, Republic of); Department of Environment & Energy Mechanical Engineering, University of Science & Technology (UST), Daejeon 305-350 (Korea, Republic of)

    2015-12-31

    This work investigates the use of plasma-enhanced chemical vapor deposition under atmospheric pressure for achieving uniform layer formation. Electrical and optical measurements demonstrated that the counterbalance between oxygen and precursors maintained the homogeneous discharge mode, while creating intermediate species for layer deposition. Several steps of the deposition process of the layers, which were processed on a stationary stage, were affected by flow stream and precursor depletion. This study showed that by changing the flow streamlines using substrate stage motion uniform layer deposition under atmospheric pressure can be achieved. - Highlights: • Zirconium oxide was deposited by atmospheric-pressure plasma-enhanced chemical vapor deposition. • Homogeneous plasma was maintained by counterbalancing between discharge gas and precursors. • Several deposition steps were observed affected by the gas flow stream and precursor depletion. • Thin film layer was uniformly grown when the substrate underwent a sweeping motion.

  6. Temperature and baryon-chemical-potential-dependent bag pressure for a deconfining phase transition

    International Nuclear Information System (INIS)

    Patra, B.K.; Singh, C.P.

    1996-01-01

    We explore the consequences of a bag model developed by Leonidov et al. for the deconfining phase transition in which the bag pressure is made to depend on the temperature and baryon chemical potential in order to ensure the entropy and baryon number conservation at the phase boundary together with the Gibbs construction for an equilibrium phase transition. We show that the bag pressure thus obtained yields an anomalous increasing behavior with the increasing baryon chemical potential at a fixed temperature which defies a physical interpretation. We demonstrate that the inclusion of the perturbative interactions in the QGP phase removes this difficulty. Further consequences of the modified bag pressure are discussed. copyright 1996 The American Physical Society

  7. Tube micro-fouling, boiling and steam pressure after chemical cleaning

    International Nuclear Information System (INIS)

    Hu, M.H.

    1998-01-01

    This paper presents steam pressure trends after chemical cleaning of steam generator tubes at four plants. The paper also presents tube fouling factor that serves as an objective parameter to assess tubing boiling conditions for understanding the steam pressure trend. Available water chemistry data helps substantiate the concept of tube micro-fouling, its effect on tubing boiling, and its impact on steam pressure. All four plants experienced a first mode of decreasing steam pressure in the post-cleaning operation. After 3 to 4 months of operation, the decreasing trend stopped for three plants and then restored to a pre-cleaning value or better. The fourth plant is soil in decreasing trend after 12 months of operation. Dissolved chemicals, such as silica, titanium can precipitate on tube surface. The precipitate micro-fouling can deactivate or eliminate boiling nucleation sites. Therefore, the first phase of the post-cleaning operation suffered a decrease in steam pressure or an increase in fouling factor. It appears that micro fouling by magnetite deposit can activate or create more bubble nucleation sites. Therefore, the magnetite deposit micro-fouling results in a decrease in fouling factor, and a recovery in steam pressure. Fully understanding the boiling characteristics of the tubing at brand new, fouled and cleaned conditions requires further study of tubing surface conditions. Such study should include boiling heat transfer tests and scanning electronic microscope examination. (author)

  8. Combined impact of lead, cadmium, polychlorinated biphenyls and non-chemical risk factors on blood pressure in NHANES

    International Nuclear Information System (INIS)

    Peters, Junenette L.; Patricia Fabian, M.; Levy, Jonathan I.

    2014-01-01

    High blood pressure is associated with exposure to multiple chemical and non-chemical risk factors, but epidemiological analyses to date have not assessed the combined effects of both chemical and non-chemical stressors on human populations in the context of cumulative risk assessment. We developed a novel modeling approach to evaluate the combined impact of lead, cadmium, polychlorinated biphenyls (PCBs), and multiple non-chemical risk factors on four blood pressure measures using data for adults aged ≥20 years from the National Health and Nutrition Examination Survey (1999–2008). We developed predictive models for chemical and other stressors. Structural equation models were applied to account for complex associations among predictors of stressors as well as blood pressure. Models showed that blood lead, serum PCBs, and established non-chemical stressors were significantly associated with blood pressure. Lead was the chemical stressor most predictive of diastolic blood pressure and mean arterial pressure, while PCBs had a greater influence on systolic blood pressure and pulse pressure, and blood cadmium was not a significant predictor of blood pressure. The simultaneously fit exposure models explained 34%, 43% and 52% of the variance for lead, cadmium and PCBs, respectively. The structural equation models were developed using predictors available from public data streams (e.g., U.S. Census), which would allow the models to be applied to any U.S. population exposed to these multiple stressors in order to identify high risk subpopulations, direct intervention strategies, and inform public policy. - Highlights: • We evaluated joint impact of chemical and non-chemical stressors on blood pressure. • We built predictive models for lead, cadmium and polychlorinated biphenyls (PCBs). • Our approach allows joint evaluation of predictors from population-specific data. • Lead, PCBs and established non-chemical stressors were related to blood pressure.

  9. Combined impact of lead, cadmium, polychlorinated biphenyls and non-chemical risk factors on blood pressure in NHANES

    Energy Technology Data Exchange (ETDEWEB)

    Peters, Junenette L., E-mail: petersj@bu.edu; Patricia Fabian, M., E-mail: pfabian@bu.edu; Levy, Jonathan I., E-mail: jonlevy@bu.edu

    2014-07-15

    High blood pressure is associated with exposure to multiple chemical and non-chemical risk factors, but epidemiological analyses to date have not assessed the combined effects of both chemical and non-chemical stressors on human populations in the context of cumulative risk assessment. We developed a novel modeling approach to evaluate the combined impact of lead, cadmium, polychlorinated biphenyls (PCBs), and multiple non-chemical risk factors on four blood pressure measures using data for adults aged ≥20 years from the National Health and Nutrition Examination Survey (1999–2008). We developed predictive models for chemical and other stressors. Structural equation models were applied to account for complex associations among predictors of stressors as well as blood pressure. Models showed that blood lead, serum PCBs, and established non-chemical stressors were significantly associated with blood pressure. Lead was the chemical stressor most predictive of diastolic blood pressure and mean arterial pressure, while PCBs had a greater influence on systolic blood pressure and pulse pressure, and blood cadmium was not a significant predictor of blood pressure. The simultaneously fit exposure models explained 34%, 43% and 52% of the variance for lead, cadmium and PCBs, respectively. The structural equation models were developed using predictors available from public data streams (e.g., U.S. Census), which would allow the models to be applied to any U.S. population exposed to these multiple stressors in order to identify high risk subpopulations, direct intervention strategies, and inform public policy. - Highlights: • We evaluated joint impact of chemical and non-chemical stressors on blood pressure. • We built predictive models for lead, cadmium and polychlorinated biphenyls (PCBs). • Our approach allows joint evaluation of predictors from population-specific data. • Lead, PCBs and established non-chemical stressors were related to blood pressure.

  10. Chemically Designed Metallic/Insulating Hybrid Nanostructures with Silver Nanocrystals for Highly Sensitive Wearable Pressure Sensors.

    Science.gov (United States)

    Kim, Haneun; Lee, Seung-Wook; Joh, Hyungmok; Seong, Mingi; Lee, Woo Seok; Kang, Min Su; Pyo, Jun Beom; Oh, Soong Ju

    2018-01-10

    With the increase in interest in wearable tactile pressure sensors for e-skin, researches to make nanostructures to achieve high sensitivity have been actively conducted. However, limitations such as complex fabrication processes using expensive equipment still exist. Herein, simple lithography-free techniques to develop pyramid-like metal/insulator hybrid nanostructures utilizing nanocrystals (NCs) are demonstrated. Ligand-exchanged and unexchanged silver NC thin films are used as metallic and insulating components, respectively. The interfaces of each NC layer are chemically engineered to create discontinuous insulating layers, i.e., spacers for improved sensitivity, and eventually to realize fully solution-processed pressure sensors. Device performance analysis with structural, chemical, and electronic characterization and conductive atomic force microscopy study reveals that hybrid nanostructure based pressure sensor shows an enhanced sensitivity of higher than 500 kPa -1 , reliability, and low power consumption with a wide range of pressure sensing. Nano-/micro-hierarchical structures are also designed by combining hybrid nanostructures with conventional microstructures, exhibiting further enhanced sensing range and achieving a record sensitivity of 2.72 × 10 4 kPa -1 . Finally, all-solution-processed pressure sensor arrays with high pixel density, capable of detecting delicate signals with high spatial selectivity much better than the human tactile threshold, are introduced.

  11. Surface chemical changes of atmospheric pressure plasma treated rabbit fibres important for felting process

    Energy Technology Data Exchange (ETDEWEB)

    Štěpánová, Vlasta, E-mail: vstepanova@mail.muni.cz [Department of Physical Electronics, Faculty of Science Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Slavíček, Pavel; Stupavská, Monika; Jurmanová, Jana [Department of Physical Electronics, Faculty of Science Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Černák, Mirko [Department of Physical Electronics, Faculty of Science Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynská dolina F2, 842 48 Bratislava (Slovakia)

    2015-11-15

    Graphical abstract: - Highlights: • Rabbit fibres plasma treatment is an effective method for fibres modification. • Atmospheric pressure plasma treatment is able to affect fibres properties. • Surface changes on fibres after plasma treatment were analysed via SEM, ATR-FTIR, XPS. • Significant increase of fibres wettability after plasma treatment was observed. • Plasma treatment at atmospheric pressure can replace the chemical treatment of fibres. - Abstract: We introduce the atmospheric pressure plasma treatment as a suitable procedure for in-line industrial application of rabbit fibres pre-treatment. Changes of rabbit fibre properties due to the plasma treatment were studied in order to develop new technology of plasma-based treatment before felting. Diffuse Coplanar Surface Barrier Discharge (DCSBD) in ambient air at atmospheric pressure was used for plasma treatment. Scanning electron microscopy was used for determination of the fibres morphology before and after plasma treatment. X-ray photoelectron spectroscopy and attenuated total reflectance-Fourier transform infrared spectroscopy were used for evaluation of reactive groups. The concentration of carbon decreased and conversely the concentration of nitrogen and oxygen increased after plasma treatment. Aging effect of plasma treated fibres was also investigated. Using Washburn method the significant increase of fibres wettability was observed after plasma treatment. New approach of pre-treatment of fibres before felting using plasma was developed. Plasma treatment of fibres at atmospheric pressure can replace the chemical method which consists of application of strong acids on fibres.

  12. Relationship between the evaporation rate and vapor pressure of moderately and highly volatile chemicals.

    Science.gov (United States)

    van Wesenbeeck, Ian; Driver, Jeffrey; Ross, John

    2008-04-01

    Volatilization of chemicals can be an important form of dissipation in the environment. Rates of evaporative losses from plant and soil surfaces are useful for estimating the potential for food-related dietary residues and operator and bystander exposure, and can be used as source functions for screening models that predict off-site movement of volatile materials. A regression of evaporation on vapor pressure from three datasets containing 82 pesticidal active ingredients and co-formulants, ranging in vapor pressure from 0.0001 to >30,000 Pa was developed for this purpose with a regression correlation coefficient of 0.98.

  13. Effect of hydrostatic and chemical pressure on the exchange interaction in magnetic borocarbide superconductors

    Science.gov (United States)

    Michor, H.; El-Hagary, M.; Naber, L.; Bauer, E.; Hilscher, G.

    2000-03-01

    The investigation of pair-breaking effects in magnetic rare-earth nickel borocarbide superconductors reveals a considerable increase of the magnetic exchange integral Jsf by hydrostatic as well as chemical pressure. In both, Jsf is governed by the R-C distance (or lattice constant a) and is described quantitatively by a simple phenomenological model. Thereby, just two parameters Jsf0=31 meV and ΔJsf/Δa=165 meV/Å explain well the influence of chemical pressure upon the initial depression rates of Tc in solid solutions R'1-xRxNi2B2C with R=Gd, Tb, Dy, Ho and R'=Y and Lu.

  14. Pressure fluctuation analysis for charging pump of chemical and volume control system of nuclear power plant

    Directory of Open Access Journals (Sweden)

    Chen Qiang

    2016-01-01

    Full Text Available Equipment Failure Root Cause Analysis (ERCA methodology is employed in this paper to investigate the root cause for charging pump’s pressure fluctuation of chemical and volume control system (RCV in pressurized water reactor (PWR nuclear power plant. RCA project task group has been set up at the beginning of the analysis process. The possible failure modes are listed according to the characteristics of charging pump’s actual pressure fluctuation and maintenance experience during the analysis process. And the failure modes are analysed in proper sequence by the evidence-collecting. It suggests that the gradually untightened and loosed shaft nut in service should be the root cause. And corresponding corrective actions are put forward in details.

  15. Two dimensional radial gas flows in atmospheric pressure plasma-enhanced chemical vapor deposition

    Science.gov (United States)

    Kim, Gwihyun; Park, Seran; Shin, Hyunsu; Song, Seungho; Oh, Hoon-Jung; Ko, Dae Hong; Choi, Jung-Il; Baik, Seung Jae

    2017-12-01

    Atmospheric pressure (AP) operation of plasma-enhanced chemical vapor deposition (PECVD) is one of promising concepts for high quality and low cost processing. Atmospheric plasma discharge requires narrow gap configuration, which causes an inherent feature of AP PECVD. Two dimensional radial gas flows in AP PECVD induces radial variation of mass-transport and that of substrate temperature. The opposite trend of these variations would be the key consideration in the development of uniform deposition process. Another inherent feature of AP PECVD is confined plasma discharge, from which volume power density concept is derived as a key parameter for the control of deposition rate. We investigated deposition rate as a function of volume power density, gas flux, source gas partial pressure, hydrogen partial pressure, plasma source frequency, and substrate temperature; and derived a design guideline of deposition tool and process development in terms of deposition rate and uniformity.

  16. Phosphorus atomic layer doping in SiGe using reduced pressure chemical vapor deposition

    International Nuclear Information System (INIS)

    Yamamoto, Yuji; Heinemann, Bernd; Murota, Junichi; Tillack, Bernd

    2014-01-01

    Phosphorus (P) atomic layer doping in SiGe is investigated at temperatures between 100 °C to 600 °C using a single wafer reduced pressure chemical vapor deposition system. SiGe(100) surface is exposed to PH 3 at different PH 3 partial pressures by interrupting SiGe growth. The impact of the SiGe buffer/cap growth condition (total pressure/SiGe deposition precursors) on P adsorption, incorporation, and segregation are investigated. In the case of SiH 4 -GeH 4 -H 2 gas system, steeper P spikes due to lower segregation are observed by SiGe cap deposition at atmospheric (ATM) pressure compared with reduced pressure (RP). The steepness of P spike of ∼ 5.7 nm/dec is obtained for ATM pressure without reducing deposition temperature. This result may be due to the shift of equilibrium of P adsorption/desorption to desorption direction by higher H 2 pressure. Using Si 2 H 6 -GeH 4 -H 2 gas system for SiGe cap deposition in RP, lowering the SiGe growth temperature is possible, resulting in higher P incorporation and steeper P profile due to reduced desorption and segregation. In the case of Si 2 H 6 -GeH 4 -H 2 gas system, the P dose could be simulated assuming a Langmuir-type kinetics model. Incorporated P shows high electrical activity, indicating P is adsorbed mostly in lattice position. - Highlights: • Phosphorus (P) atomic layer doping in SiGe (100) is investigated using CVD. • P adsorption is suppressed by the hydrogen termination of Ge surface. • By SiGe cap deposition at atmospheric pressure, P segregation was suppressed. • By using Si 2 H 6 -based SiGe cap, P segregation was also suppressed. • The P adsorption process is self-limited and follows Langmuir-type kinetics model

  17. Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry

    Science.gov (United States)

    Eiceman, G. A.; Bergloff, J. F.; Rodriguez, J. E.; Munro, W.; Karpas, Z.

    1999-01-01

    Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ion associations or (M-H)- through proton abstractions. Proton abstraction was controllable by potentials on the orifice and first lens, suggesting that some proton abstraction occurs through collision induced dissociation (CID) in the interface region. This was proven using CID of adduct ions (M Cl-) with Q2 studies where adduct ions were dissociated to Cl- or proton abstracted to (M-H)-. The extent of proton abstraction depended upon ion energy and structure in order of calculated acidities: pentafluorophenol > tetrafluorophenol > trifluorophenol > difluorophenol. Little or no proton abstraction occurred for fluorophenol, phenol, or benzyl alcohol analogs. Ion mobility spectrometry was used to determine if proton abstraction reactions passed through an adduct intermediate with thermalized ions and mobility spectra for all chemicals were obtained from 25 to 200 degrees C. Proton abstraction from M Cl- was not observed at any temperature for phenol, monofluorophenol, or difluorophenol. Mobility spectra for trifluorophenol revealed the kinetic transformations to (M-H)- either from M Cl- or from M2 Cl- directly. Proton abstraction was the predominant reaction for tetra- and penta-fluorophenols. Consequently, the evidence suggests that proton abstraction occurs from an adduct ion where the reaction barrier is reduced with increasing acidity of the O-H bond in C6H5-xFxOH.

  18. Ultrasonic nebulization extraction/low pressure photoionization mass spectrometry for direct analysis of chemicals in matrices.

    Science.gov (United States)

    Liu, Chengyuan; Zhu, Yanan; Zhou, Zhongyue; Yang, Jiuzhong; Qi, Fei; Pan, Yang

    2015-09-03

    A novel ultrasonic nebulization extraction/low-pressure photoionization (UNE-LPPI) system has been designed and employed for the rapid mass spectrometric analysis of chemicals in matrices. An ultrasonic nebulizer was used to extract the chemicals in solid sample and nebulize the solvent in the nebulization cell. Aerosols formed by ultrasonic were evaporated by passing through a transferring tube, and desolvated chemicals were ionized by the emitted light (10.6 eV) from a Krypton discharge lamp at low pressure (∼68 Pa). First, a series of semi/non-volatile compounds with different polarities, such as polycyclic aromatic hydrocarbons (PAHs), amino acids, dipeptides, drugs, nucleic acids, alkaloids, and steroids were used to test the system. Then, the quantification capability of UNE-LPPI was checked with: 1) pure chemicals, such as 9,10-phenanthrenequinone and 1,4-naphthoquinone dissolved in solvent; 2) soil powder spiked with different amounts of phenanthrene and pyrene. For pure chemicals, the correlation coefficient (R(2)) for the standard curve of 9,10-phenanthrenequinone in the range of 3 ng-20 μg mL(-1) was 0.9922, and the measured limits of detection (LOD) was 1 ng ml(-1). In the case of soil powder, linear relationships for phenanthrene and pyrene from 10 to 400 ng mg(-1) were obtained with correlation coefficients of 0.9889 and 0.9893, respectively. At last, the feasibility of UNE-LPPI for the detection of chemicals in real matrices such as tablets and biological tissues (tea, Citrus aurantium peel and sage (Salvia officinalis) leaf) were successfully demonstrated. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Rapid Chemical Vapor Infiltration of Silicon Carbide Minicomposites at Atmospheric Pressure.

    Science.gov (United States)

    Petroski, Kenneth; Poges, Shannon; Monteleone, Chris; Grady, Joseph; Bhatt, Ram; Suib, Steven L

    2018-02-07

    The chemical vapor infiltration technique is one of the most popular for the fabrication of the matrix portion of a ceramic matrix composite. This work focuses on tailoring an atmospheric pressure deposition of silicon carbide onto carbon fiber tows using the methyltrichlorosilane (CH 3 SiCl 3 ) and H 2 deposition system at atmospheric pressure to create minicomposites faster than low pressure systems. Adjustment of the flow rate of H 2 bubbled through CH 3 SiCl 3 will improve the uniformity of the deposition as well as infiltrate the substrate more completely as the flow rate is decreased. Low pressure depositions conducted at 50 Torr deposit SiC at a rate of approximately 200 nm*h -1 , while the atmospheric pressure system presented has a deposition rate ranging from 750 nm*h -1 to 3.88 μm*h -1 . The minicomposites fabricated in this study had approximate total porosities of 3 and 6% for 10 and 25 SCCM infiltrations, respectively.

  20. High-pressure catalytic chemical vapor deposition of ferromagnetic ruthenium-containing carbon nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Khavrus, Vyacheslav O., E-mail: V.Khavrus@ifw-dresden.de; Ibrahim, E. M. M.; Bachmatiuk, Alicja; Ruemmeli, Mark H.; Wolter, A. U. B.; Hampel, Silke; Leonhardt, Albrecht [IFW Dresden (Germany)

    2012-06-15

    We report on the high-pressure catalytic chemical vapor deposition (CCVD) of ruthenium nanoparticles (NPs) and single-walled carbon nanotubes (SWCNTs) by means of gas-phase decomposition of acetonitrile and ruthenocene in a tubular quartz flow reactor at 950 Degree-Sign C and at elevated pressures (between 2 and 8 bar). The deposited material consists of Ru metal cores with sizes ranging between 1 and 3 nm surrounded by a carbon matrix. The high-pressure CCVD seems to be an effective route to obtain composite materials containing metallic NPs, Ru in this work, inside a nanostructured carbon matrix protecting them from oxidation in ambient air. We find that in contradiction to the weak paramagnetic properties characterizing bulk ruthenium, the synthesized samples are ferromagnetic as predicted for nanosized particles of nonmagnetic materials. At low pressure, the very small ruthenium catalyst particles are able to catalyze growth of SWCNTs. Their yield decreases with increasing reaction pressure. Transmission electron microscopy, selected area energy-dispersive X-ray analysis, Raman spectroscopy, and magnetic measurements were used to analyze and confirm properties of the synthesized NPs and nanotubes. A discussion on the growth mechanism of the Ru-containing nanostructures is presented.

  1. Kinetics of low pressure chemical vapor deposition of tungsten silicide from dichlorocilane reduction of tungsten hexafluoride

    International Nuclear Information System (INIS)

    Srinivas, D.; Raupp, G.B.; Hillman, J.

    1990-01-01

    The authors report on experiments to determine the intrinsic surface reaction rate dependences and film properties' dependence on local reactant partial pressures and wafer temperature in low pressure chemical vapor deposition (LPCVD) of tungsten silicide from dichlorosilane reduction of tungsten hexafluoride. Films were deposited in a commercial-scale Spectrum CVD cold wall single wafer reactor under near differential, gradientless conditions. Over the range of process conditions investigated, deposition rate was found to be first order in dichlorosillane and negative second order in tungsten hexafluoride partial pressure. The apparent activation energy in the surface reaction limited regime was found to be 70-120 kcal/mol. The silicon to tungsten ratio of as deposited silicide films ranged from 1.1 to 2.4, and increased with increasing temperature and dichlorosillane partial pressure, and decreased with increasing tungsten hexafluoride pressure. These results suggest that the apparent silicide deposition rate and composition are controlled by the relative rates of at least two competing reactions which deposit stoichiometric tungsten silicides and/or silicon

  2. Design of a high-pressure single pulse shock tube for chemical kinetic investigations

    International Nuclear Information System (INIS)

    Tranter, R. S.; Brezinsky, K.; Fulle, D.

    2001-01-01

    A single pulse shock tube has been designed and constructed in order to achieve extremely high pressures and temperatures to facilitate gas-phase chemical kinetic experiments. Postshock pressures of greater than 1000 atmospheres have been obtained. Temperatures greater than 1400 K have been achieved and, in principle, temperatures greater than 2000 K are easily attainable. These high temperatures and pressures permit the investigation of hydrocarbon species pyrolysis and oxidation reactions. Since these reactions occur on the time scale of 0.5--2 ms the shock tube has been constructed with an adjustable length driven section that permits variation of reaction viewing times. For any given reaction viewing time, samples can be withdrawn through a specially constructed automated sampling apparatus for subsequent species analysis with gas chromatography and mass spectrometry. The details of the design and construction that have permitted the successful generation of very high-pressure shocks in this unique apparatus are described. Additional information is provided concerning the diaphragms used in the high-pressure shock tube

  3. Impact of chemical peeling combined with negative pressure on human skin.

    Science.gov (United States)

    Kim, S J; Kang, I J; Shin, M K; Jeong, K H; Baek, J H; Koh, J S; Lee, S J

    2016-10-01

    In vivo changes in skin barrier function after chemical peeling with alpha hydroxyacids (AHAs) have been previously reported. However, the additional effects of physical treatment with chemical agents on skin barrier function have not been adequately studied. This study measured the degree of acute skin damage and the time required for skin barrier repair using non-invasive bioengineering methods in vivo with human skin to investigate the additional effect of a 4% AHA chemical jet accelerated at supersonic velocities. Thirteen female subjects (average age: 29.54 ± 4.86 years) participated in this study. The faces of the subjects were divided into half according to the block randomization design and were then assigned to receive AHA peeling alone or AHA peeling combined with pneumatic pressure on each side of the face. Transepidermal water loss (TEWL), skin colour and skin blood flow were evaluated at baseline and at 30 min, 2, 5 and 7 days after treatment. The TEWL and skin blood flow were significantly increased after 30 min in chemodermabrasion compared with chemical peeling alone (P peeling alone (P < 0.05). Chemodermabrasion can temporarily impair skin barriers, but it is estimated that it can enhance the skin barrier function after 7 days compared to the use of a chemical agent alone. In addition, chemodermabrasion has a more effective impact in the dermis and relatively preserves the skin barrier. © 2016 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  4. A systematic study of atmospheric pressure chemical vapor deposition growth of large-area monolayer graphene.

    Science.gov (United States)

    Liu, Lixin; Zhou, Hailong; Cheng, Rui; Chen, Yu; Lin, Yung-Chen; Qu, Yongquan; Bai, Jingwei; Ivanov, Ivan A; Liu, Gang; Huang, Yu; Duan, Xiangfeng

    2012-01-28

    Graphene has attracted considerable interest as a potential material for future electronics. Although mechanical peel is known to produce high quality graphene flakes, practical applications require continuous graphene layers over a large area. The catalyst-assisted chemical vapor deposition (CVD) is a promising synthetic method to deliver wafer-sized graphene. Here we present a systematic study on the nucleation and growth of crystallized graphene domains in an atmospheric pressure chemical vapor deposition (APCVD) process. Parametric studies show that the mean size of the graphene domains increases with increasing growth temperature and CH 4 partial pressure, while the density of domains decreases with increasing growth temperature and is independent of the CH 4 partial pressure. Our studies show that nucleation of graphene domains on copper substrate is highly dependent on the initial annealing temperature. A two-step synthetic process with higher initial annealing temperature but lower growth temperature is developed to reduce domain density and achieve high quality full-surface coverage of monolayer graphene films. Electrical transport measurements demonstrate that the resulting graphene exhibits a high carrier mobility of up to 3000 cm 2 V -1 s -1 at room temperature.

  5. Magnetic Correlations in URu2Si2 under Chemical and Hydrostatic Pressure

    Science.gov (United States)

    Williams, Travis; Aczel, Adam; Broholm, Collin; Buyers, William; Leao, Juscelino; Luke, Graeme; Rodriguez-Riviera, Jose; Stone, Matthew; Wilson, Murray; Yamani, Zahra

    URu2Si2 has been an intense area of study for the last 30 years due to a mysterious hidden order phase that appears below T0 = 17.5 K. The hidden order phase has been shown to be extremely sensitive to perturbations, being destroyed quickly by the application of a magnetic field, hydrostatic or uniaxial pressure, and chemical doping. While attempting to understand the properties of URu2Si2, neutron scattering has found spin correlations that are intimately related to this hidden order phase and which are also suppressed with these perturbations. Here, I will outline some recent neutron scattering work to study these correlations in two exceptional cases where the hidden order phase is enhanced: hydrostatic pressure and chemical pressure using Fe- and Os-doping. In both of these cases, T0 increases before an antiferromagnetic phase emerges. By performing a careful analysis of the neutron data, we show that these two phases are much more related than had been previously appreciated. This implies that the hidden order is likely compatible with an antiferromagnetic ground state, placing constraints on the nature of the missing order parameter.

  6. Study of discharges produced by surface waves under medium and high pressure: application to chemical analysis

    International Nuclear Information System (INIS)

    Laye epouse Granier, Agnes

    1986-01-01

    This report deals with the study of microwave discharges produced in argon gas by surface waves in the 20-760 Torr pressure range. Application to chemical analysis by emission optical spectroscopy is also investigated. First of all we study the propagation of a surface wave in a bounded plasma in which the effective collision frequency for momentum transfer ν is higher than the excitation one. The axial electron density profile is determined from two diagnostic techniques, i.e., phase variations of the wave field and Stark broadening of H β line. Then we deduce the discharge characteristics ν, θ (maintaining power of an electron-ion pair) and E eff (effective electric field for discharge sustaining) from the electron density profile. Then an energy balance of the discharge is developed. It explains the change of operating conditions in the 20-50 Torr range. At low pressure the discharge is governed by ambipolar diffusion whereas at high pressure, the electrons are mainly lost by volume recombination of Ar 2 + . Finally, we report on chemical analysis experiment of gases (optimum sensibility in found near 100 Torr) and of metallic solutions sprayed by a graphite oven. Performances of such a design and ICP plasma torches are compared. (author) [fr

  7. Effects of High Hydrostatic Pressure on the Physical, Microbial, and Chemical Attributes of Oysters (Crassostrea virginica).

    Science.gov (United States)

    Lingham, Talaysha; Ye, Mu; Chen, Haiqiang; Chintapenta, Lathadevi Karuna; Handy, Eunice; Zhao, Jing; Wu, Changqing; Ozbay, Gulnihal

    2016-05-01

    The change in the quality attributes (physical, microbial, and chemical) of oysters (Crassostrea virginica) after high hydrostatic pressure (HHP) treatment at 300 MPa at room temperature (RT, 25 °C) 300, 450, and 500 MPa at 0 °C for 2 min and control oysters without treatment were evaluated over 3 wk. The texture and tissue yield percentages of oysters HHP treated at 300 MPa, RT increased significantly (P oysters reached the spoilage point of 7 log CFU/g after 15 d. Coliform counts (log MPN/g) were low during storage with total and fecal coliforms less than 3.5 and 1.0. High pressure treated oysters at 500 MPa at 0 °C were significantly higher (P oysters HHP treated at 300 MPa at 0 °C in lipid oxidation values. The highest pressure (500 MPa) treatment in this study, significantly (P oysters at 3 wk was significantly higher (P oysters [300 MPa, (RT); 450 MPa (0 °C); and 500 MPa (0 °C)]. HHP treatments of oysters were not significantly different in pH, percent salt extractable protein (SEP), and total lipid values compared to control. Based on our results, HHP prolongs the physical, microbial, and chemical quality of oysters. © 2016 Institute of Food Technologists®

  8. Conformal coating of amorphous silicon and germanium by high pressure chemical vapor deposition for photovoltaic fabrics

    Science.gov (United States)

    Ji, Xiaoyu; Cheng, Hiu Yan; Grede, Alex J.; Molina, Alex; Talreja, Disha; Mohney, Suzanne E.; Giebink, Noel C.; Badding, John V.; Gopalan, Venkatraman

    2018-04-01

    Conformally coating textured, high surface area substrates with high quality semiconductors is challenging. Here, we show that a high pressure chemical vapor deposition process can be employed to conformally coat the individual fibers of several types of flexible fabrics (cotton, carbon, steel) with electronically or optoelectronically active materials. The high pressure (˜30 MPa) significantly increases the deposition rate at low temperatures. As a result, it becomes possible to deposit technologically important hydrogenated amorphous silicon (a-Si:H) from silane by a simple and very practical pyrolysis process without the use of plasma, photochemical, hot-wire, or other forms of activation. By confining gas phase reactions in microscale reactors, we show that the formation of undesired particles is inhibited within the microscale spaces between the individual wires in the fabric structures. Such a conformal coating approach enables the direct fabrication of hydrogenated amorphous silicon-based Schottky junction devices on a stainless steel fabric functioning as a solar fabric.

  9. Sterilization and Decontamination of Surfaces Contaminated With Biological and Chemical Warfare Agents Using Atmospheric Pressure Plasma Discharges

    National Research Council Canada - National Science Library

    Garate, Eusebio

    1999-01-01

    ... based on the application of an atmospheric pressure plasma. We used both a DC corona and dielectric barrier discharge for the sterilization tests which were conducted on a variety of substrates including metals and chemically resistant fabrics...

  10. Atmospheric-pressure electric discharge as an instrument of chemical activation of water solutions

    Science.gov (United States)

    Rybkin, V. V.; Shutov, D. A.

    2017-11-01

    Results of experimental studies and numerical simulations of physicochemical characteristics of plasmas generated in different types of atmospheric-pressure discharges (pulsed streamer corona, gliding electric arc, dielectric barrier discharge, glow-discharge electrolysis, diaphragmatic discharge, and dc glow discharge) used to initiate various chemical processes in water solutions are analyzed. Typical reactor designs are considered. Data on the power supply characteristics, plasma electron parameters, gas temperatures, and densities of active particles in different types of discharges excited in different gases and their dependences on the external parameters of discharges are presented. The chemical composition of active particles formed in water is described. Possible mechanisms of production and loss of plasma particles are discussed.

  11. A sensitive gas chromatography detector based on atmospheric pressure chemical ionization by a dielectric barrier discharge.

    Science.gov (United States)

    Kirk, Ansgar T; Last, Torben; Zimmermann, Stefan

    2017-02-03

    In this work, we present a novel concept for a gas chromatography detector utilizing an atmospheric pressure chemical ionization which is initialized by a dielectric barrier discharge. In general, such a detector can be simple and low-cost, while achieving extremely good limits of detection. However, it is non-selective apart from the use of chemical dopants. Here, a demonstrator manufactured entirely from fused silica capillaries and printed circuit boards is shown. It has a size of 75×60×25mm 3 and utilizes only 2W of power in total. Unlike other known discharge detectors, which require high-purity helium, this detector can theoretically be operated using any gas able to form stable ion species. Here, purified air is used. With this setup, limits of detection in the low parts-per-billion range have been obtained for acetone. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Can disorder act as a chemical pressure? An optical study of the Hubbard model

    Science.gov (United States)

    Barman, H.; Laad, M. S.; Hassan, S. R.

    2018-05-01

    The optical properties have been studied using the dynamical mean-field theory on a disordered Hubbard model. Despite the fact that disorder turns a metal to an insulator in high dimensional correlated materials, we notice that it can enhance certain metallic behavior as if a chemical pressure is applied to the system resulting in an increase of the effective lattice bandwidth (BW). We study optical properties in such a scenario and compare results with experiments where the BW is changed through isovalent chemical substitution (keeping electron filling unaltered) and obtain remarkable similarities vindicating our claim. We also make the point that these similarities differ from some other forms of BW tuned optical effects.

  13. Ultrasensitive detection of explosives and chemical warfare agents by low-pressure photoionization mass spectrometry.

    Science.gov (United States)

    Sun, Wanqi; Liang, Miao; Li, Zhen; Shu, Jinian; Yang, Bo; Xu, Ce; Zou, Yao

    2016-08-15

    On-spot monitoring of threat agents needs high sensitive instrument. In this study, a low-pressure photoionization mass spectrometer (LPPI-MS) was employed to detect trace amounts of vapor-phase explosives and chemical warfare agent mimetics under ambient conditions. Under 10-s detection time, the limits of detection of 2,4-dinitrotoluene, nitrotoluene, nitrobenzene, and dimethyl methyl phosphonate were 30, 0.5, 4, and 1 parts per trillion by volume, respectively. As compared to those obtained previously with PI mass spectrometric techniques, an improvement of 3-4 orders of magnitude was achieved. This study indicates that LPPI-MS will open new opportunities for the sensitive detection of explosives and chemical warfare agents. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Effect of chemical composition on the electrical conductivity of gneiss at high temperatures and pressures

    Directory of Open Access Journals (Sweden)

    L. Dai

    2018-03-01

    Full Text Available The electrical conductivity of gneiss samples with different chemical compositions (WA = Na2O + K2O + CaO  =  7.12, 7.27 and 7.64 % weight percent was measured using a complex impedance spectroscopic technique at 623–1073 K and 1.5 GPa and a frequency range of 10−1 to 106 Hz. Simultaneously, a pressure effect on the electrical conductivity was also determined for the WA = 7.12 % gneiss. The results indicated that the gneiss conductivities markedly increase with total alkali and calcium ion content. The sample conductivity and temperature conform to an Arrhenius relationship within a certain temperature range. The influence of pressure on gneiss conductivity is weaker than temperature, although conductivity still increases with pressure. According to various ranges of activation enthalpy (0.35–0.52 and 0.76–0.87 eV at 1.5 GPa, two main conduction mechanisms are suggested that dominate the electrical conductivity of gneiss: impurity conduction in the lower-temperature region and ionic conduction (charge carriers are K+, Na+ and Ca2+ in the higher-temperature region. The electrical conductivity of gneiss with various chemical compositions cannot be used to interpret the high conductivity anomalies in the Dabie–Sulu ultrahigh-pressure metamorphic belt. However, the conductivity–depth profiles for gneiss may provide an important constraint on the interpretation of field magnetotelluric conductivity results in the regional metamorphic belt.

  15. Modeling and control of diffusion and low-pressure chemical vapor deposition furnaces

    Science.gov (United States)

    De Waard, H.; De Koning, W. L.

    1990-03-01

    In this paper a study is made of the heat transfer inside cylindrical resistance diffusion and low-pressure chemical vapor deposition furnaces, aimed at developing an improved temperature controller. A model of the thermal behavior is derived which also covers the important class of furnaces equipped with semitransparent quartz process tubes. The model takes into account the thermal behavior of the thermocouples. It is shown that currently used temperature controllers are highly inefficient for very large scale integration applications. Based on the model an alternative temperature controller of the linear-quadratic-Gaussian type is proposed which features direct wafer temperature control. Some simulation results are given.

  16. The influence of chemicals on water quality in a high pressure separation rig

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, Einar E.; Hemmingsen, Paal V.; Mediaas, Heidi; Svarstad, May Britt E.; Westvik, Arild

    2006-03-15

    In the research laboratory of Statoil at Rotvoll, Trondheim, a high pressure experimental rig used for separation and foaming studies has been developed. There have been several studies to ensure that the high pressure separation rig produces reliable and consistent results with regard to the water-in-oil and oil-in-water contents. The results are consistent with available field data and, just as important, consistent when changing variables like temperature, pressure drop and water cut. The results are also consistent when changing hydrodynamic variables like flow velocity and mixing point (using different choke valves) and when using oil with and without gas saturation. At equal experimental conditions, the high pressure separation rig is able to differentiate between separation characteristics of oil and water from different fields and from different wells at the same field. The high pressure separation and foam rig can be used from -10 deg C to 175 deg C and at pressures up to 200 bar. Crude oil and water are studied under relevant process conditions with respect to temperature, pressure, shear, water cut and separation time. In the present work the influence of chemicals on the oil and water quality has been studied. Chemicals have been mixed into the oil and/or water beforehand or added in situ (on-stream; simulated well stream). The amount of oil in the water after a given residence time in the separation cell has been measured. The results from the high pressure rig show that some demulsifiers, with their primary purpose of giving less water in oil, also have influence on the water quality. Improvement of water quality has been observed as well as no effect or aggravation. The experimental results have been compared to results from bottle tests at the field. The results from the bottle tests and from the laboratory are not corresponding, and only a full-scale field test can tell which of them are the correct results, if any. (Experience from corresponding

  17. Destruction of chemical warfare surrogates using a portable atmospheric pressure plasma jet

    Science.gov (United States)

    Škoro, Nikola; Puač, Nevena; Živković, Suzana; Krstić-Milošević, Dijana; Cvelbar, Uroš; Malović, Gordana; Petrović, Zoran Lj.

    2018-01-01

    Today's reality is connected with mitigation of threats from the new chemical and biological warfare agents. A novel investigation of cold plasmas in contact with liquids presented in this paper demonstrated that the chemically reactive environment produced by atmospheric pressure plasma jet (APPJ) is potentially capable of rapid destruction of chemical warfare agents in a broad spectrum. The decontamination of three different chemical warfare agent surrogates dissolved in liquid is investigated by using an easily transportable APPJ. The jet is powered by a kHz signal source connected to a low-voltage DC source and with He as working gas. The detailed investigation of electrical properties is performed for various plasmas at different distances from the sample. The measurements of plasma properties in situ are supported by the optical spectrometry measurements, whereas the high performance liquid chromatography measurements before and after the treatment of aqueous solutions of Malathion, Fenitrothion and Dimethyl Methylphosphonate. These solutions are used to evaluate destruction and its efficiency for specific neural agent simulants. The particular removal rates are found to be from 56% up to 96% during 10 min treatment. The data obtained provide basis to evaluate APPJ's efficiency at different operating conditions. The presented results are promising and could be improved with different operating conditions and optimization of the decontamination process.

  18. Growth of aligned ZnO nanowires via modified atmospheric pressure chemical vapor deposition

    International Nuclear Information System (INIS)

    Zhao, Yuping; Li, Chengchen; Chen, Mingming; Yu, Xiao; Chang, Yunwei; Chen, Anqi; Zhu, Hai; Tang, Zikang

    2016-01-01

    In this work, we report the growth of high-quality aligned ZnO nanowires via a facile atmospheric pressure chemical vapor deposition (CVD) method. The CVD reactor chamber used was more complicated than a conventional one due to the quartz boats loaded with sources (ZnO/C) and substrates being inserted into a semi-open quartz tube, and then placed inside the CVD reactor. The semi-open quartz tube played a very important role in growing the ZnO nanowires, and demonstrated that the transportation properties of Zn and O vapor differ from those in the conventional CVD reactor chamber. Aligned ZnO nanowires were successfully obtained, though they were only found at substrates located upstream. The very high crystalline quality of the obtained ZnO nanowires was demonstrated by high-resolution transmission electron microscopy and room temperature photoluminescence investigations. Such ZnO nanowires with high crystalline quality may provide opportunities for the fabrication of ZnO-based nano-devices in future. - Highlights: • High-quality aligned ZnO nanowires were obtained via modified chemical vapor deposition under atmospheric pressure. • The semi-open quartz tube plays very important roles in growing ZnO nanowires. • The transportation properties of Zn and O vapor differ from those in the conventional CVD reactor chamber.

  19. Growth of aligned ZnO nanowires via modified atmospheric pressure chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Yuping; Li, Chengchen [Faculty of Science, Jiangsu University, Zhenjiang, Jiangsu, 212013 (China); Chen, Mingming, E-mail: andychain@live.cn [Faculty of Science, Jiangsu University, Zhenjiang, Jiangsu, 212013 (China); Yu, Xiao; Chang, Yunwei [Faculty of Science, Jiangsu University, Zhenjiang, Jiangsu, 212013 (China); Chen, Anqi [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics & Information Technology, Sun Yat-Sen University, Guangzhou Higher Education Mega Center (University Town), Guangzhou, 510006 (China); Zhu, Hai, E-mail: zhuhai5@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics & Information Technology, Sun Yat-Sen University, Guangzhou Higher Education Mega Center (University Town), Guangzhou, 510006 (China); Tang, Zikang, E-mail: zktang@umac.mo [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics & Information Technology, Sun Yat-Sen University, Guangzhou Higher Education Mega Center (University Town), Guangzhou, 510006 (China); The Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macau (China)

    2016-12-09

    In this work, we report the growth of high-quality aligned ZnO nanowires via a facile atmospheric pressure chemical vapor deposition (CVD) method. The CVD reactor chamber used was more complicated than a conventional one due to the quartz boats loaded with sources (ZnO/C) and substrates being inserted into a semi-open quartz tube, and then placed inside the CVD reactor. The semi-open quartz tube played a very important role in growing the ZnO nanowires, and demonstrated that the transportation properties of Zn and O vapor differ from those in the conventional CVD reactor chamber. Aligned ZnO nanowires were successfully obtained, though they were only found at substrates located upstream. The very high crystalline quality of the obtained ZnO nanowires was demonstrated by high-resolution transmission electron microscopy and room temperature photoluminescence investigations. Such ZnO nanowires with high crystalline quality may provide opportunities for the fabrication of ZnO-based nano-devices in future. - Highlights: • High-quality aligned ZnO nanowires were obtained via modified chemical vapor deposition under atmospheric pressure. • The semi-open quartz tube plays very important roles in growing ZnO nanowires. • The transportation properties of Zn and O vapor differ from those in the conventional CVD reactor chamber.

  20. Triggering the Chemical Instability of an Ionic Liquid under High Pressure.

    Science.gov (United States)

    Faria, Luiz F O; Nobrega, Marcelo M; Temperini, Marcia L A; Bini, Roberto; Ribeiro, Mauro C C

    2016-09-01

    Ionic liquids are an interesting class of materials due to their distinguished properties, allowing their use in an impressive range of applications, from catalysis to hypergolic fuels. However, the reactivity triggered by the application of high pressure can give rise to a new class of materials, which is not achieved under normal conditions. Here, we report on the high-pressure chemical instability of the ionic liquid 1-allyl-3-methylimidazolium dicyanamide, [allylC1im][N(CN)2], probed by both Raman and IR techniques and supported by quantum chemical calculations. Our results show a reaction occurring above 8 GPa, involving the terminal double bond of the allyl group, giving rise to an oligomeric product. The results presented herein contribute to our understanding of the stability of ionic liquids, which is of paramount interest for engineering applications. Moreover, gaining insight into this peculiar kind of reactivity could lead to the development of new or alternative synthetic routes to achieve, for example, poly(ionic liquids).

  1. Miniature Variable Pressure Scanning Electron Microscope for In-Situ Imaging and Chemical Analysis

    Science.gov (United States)

    Gaskin, Jessica A.; Jerman, Gregory; Gregory, Don; Sampson, Allen R.

    2012-01-01

    NASA Marshall Space Flight Center (MSFC) is leading an effort to develop a Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) for in-situ imaging and chemical analysis of uncoated samples. This instrument development will be geared towards operation on Mars and builds on a previous MSFC design of a mini-SEM for the moon (funded through the NASA Planetary Instrument Definition and Development Program). Because Mars has a dramatically different environment than the moon, modifications to the MSFC lunar mini-SEM are necessary. Mainly, the higher atmospheric pressure calls for the use of an electron gun that can operate at High Vacuum, rather than Ultra-High Vacuum. The presence of a CO2-rich atmosphere also allows for the incorporation of a variable pressure system that enables the in-situ analysis of nonconductive geological specimens. Preliminary testing of Mars meteorites in a commercial Environmental SEM(Tradmark) (FEI) confirms the usefulness of lowcurrent/low-accelerating voltage imaging and highlights the advantages of using the Mars atmosphere for environmental imaging. The unique capabilities of the MVP-SEM make it an ideal tool for pursuing key scientific goals of NASA's Flagship Mission Max-C; to perform in-situ science and collect and cache samples in preparation for sample return from Mars.

  2. Atmospheric pressure plasma enhanced chemical vapor deposition of zinc oxide and aluminum zinc oxide

    International Nuclear Information System (INIS)

    Johnson, Kyle W.; Guruvenket, Srinivasan; Sailer, Robert A.; Ahrenkiel, S. Phillip; Schulz, Douglas L.

    2013-01-01

    Zinc oxide (ZnO) and aluminum-doped zinc oxide (AZO) thin films were deposited via atmospheric pressure plasma enhanced chemical vapor deposition. A second-generation precursor, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(N,N′-diethylethylenediamine) zinc, exhibited significant vapor pressure and good stability at one atmosphere where a vaporization temperature of 110 °C gave flux ∼ 7 μmol/min. Auger electron spectroscopy confirmed that addition of H 2 O to the carrier gas stream mitigated F contamination giving nearly 1:1 metal:oxide stoichiometries for both ZnO and AZO with little precursor-derived C contamination. ZnO and AZO thin film resistivities ranged from 14 to 28 Ω·cm for the former and 1.1 to 2.7 Ω·cm for the latter. - Highlights: • A second generation precursor was utilized for atmospheric pressure film growth. • Addition of water vapor to the carrier gas stream led to a marked reduction of ZnF 2 . • Carbonaceous contamination from the precursor was minimal

  3. Pressure-dependent {sup 13}C chemical shifts in proteins: origins and applications

    Energy Technology Data Exchange (ETDEWEB)

    Wilton, David J. [University of Sheffield, Department of Molecular Biology and Biotechnology (United Kingdom); Kitahara, Ryo [Ritsumeikan University, College of Pharmaceutical Sciences (Japan); Akasaka, Kazuyuki [Kinki University, Department of Biotechnological Science, School of Biology-Oriented Science and Technology (Japan); Williamson, Mike P. [University of Sheffield, Department of Molecular Biology and Biotechnology (United Kingdom)], E-mail: m.williamson@sheffield.ac.uk

    2009-05-15

    Pressure-dependent {sup 13}C chemical shifts have been measured for aliphatic carbons in barnase and Protein G. Up to 200 MPa (2 kbar), most shift changes are linear, demonstrating pressure-independent compressibilities. CH{sub 3}, CH{sub 2} and CH carbon shifts change on average by +0.23, -0.09 and -0.18 ppm, respectively, due to a combination of bond shortening and changes in bond angles, the latter matching one explanation for the {gamma}-gauche effect. In addition, there is a residue-specific component, arising from both local compression and conformational change. To assess the relative magnitudes of these effects, residue-specific shift changes for protein G were converted into structural restraints and used to calculate the change in structure with pressure, using a genetic algorithm to convert shift changes into dihedral angle restraints. The results demonstrate that residual {sup 13}C{alpha} shifts are dominated by dihedral angle changes and can be used to calculate structural change, whereas {sup 13}C{beta} shifts retain significant dependence on local compression, making them less useful as structural restraints.

  4. Reduced-pressure chemical vapor deposition of boron-doped Si and Ge layers

    International Nuclear Information System (INIS)

    Bogumilowicz, Y.; Hartmann, J.M.

    2014-01-01

    We have studied the in-situ boron (B) doping of germanium (Ge) and silicon (Si) in Reduced Pressure-Chemical Vapor Deposition. Three growth temperatures have been investigated for the B-doping of Ge: 400, 600 and 750 °C at a constant growth pressure of 13300 Pa (i.e. 100 Torr). The B concentration in the Ge:B epilayer increases linearly with the diborane concentration in the gaseous phase. Single-crystalline Ge:B layers with B concentrations in-between 9 ∙ 10 17 and 1 ∙ 10 20 cm −3 were achieved. For the in-situ B doping of Si at 850 °C, two dichlorosilane mass flow ratios (MFR) have been assessed: F[SiH 2 Cl 2 ]/F[H 2 ] = 0.0025 and F[SiH 2 Cl 2 ]/F[H 2 ] = 0.0113 at a growth pressure of 2660 Pa (i.e. 20 Torr). Linear boron incorporation with the diborane concentration in the gas phase has been observed and doping levels in-between 3.5 ∙ 10 17 and 1 ∙ 10 20 cm −3 were achieved. We almost kept the same ratio of B versus Si atoms in the gas phase and in the Si epilayer. By contrast, roughly half of the B atoms present in the gas phase were incorporated in the Ge:B layers irrespective of the growth temperature. X-Ray Diffraction (XRD) allowed us to extract from the angular position of the Ge:B layer diffraction peak the substitutional B concentration. Values close to the B concentrations obtained by 4-probe resistivity measurements were obtained. Ge:B layers were smooth (< 1 m root mean square roughness associated with 20 × 20 μm 2 Atomic Force Microscopy images). Only for high F[B 2 H 6 ]/F[GeH 4 ] MFR (3.2 10 −3 ) did the Ge:B layers became rough; they were however still mono-crystalline (XRD). Above this MFR value, Ge:B layers became polycrystalline. - Highlights: • Boron doping of germanium and silicon in Reduced Pressure-Chemical Vapor Deposition • Linear boron incorporation in Ge:B and Si:B with the diborane flow • Single-crystal Ge:B layers with B concentrations in-between 9 ∙ 10 17 and 1 ∙ 10 20 cm −3 • Single-crystal Si

  5. Effect of chemical pressure, misfit strain and hydrostatic pressure on structural and magnetic behaviors of rare-earth orthochromates

    International Nuclear Information System (INIS)

    Zhao, Hong Jian; Chen, Xiang Ming; Ren, Wei; Bellaiche, L

    2013-01-01

    First-principles calculations are performed to investigate structural and magnetic behaviors of rare-earth orthochromates as a function of ‘chemical’ pressure (that is, the rare-earth ionic radius), epitaxial misfit strain and hydrostatic pressure. From a structural point of view, (i) ‘chemical’ pressure significantly modifies antipolar displacements, Cr–O–Cr bond angles and the resulting oxygen octahedral tiltings; (ii) hydrostatic pressure mostly changes Cr–O bond lengths; and (iii) misfit strain affects all these quantities. The correlations between magnetic properties (Néel temperature and weak ferromagnetic moments) and unit cell volume are similar when varying the misfit strain or hydrostatic pressure, but differ from those associated with the ‘chemical’ pressure. Origins of such effects are also discussed. (paper)

  6. Effect of the chemical pressure by the addition of interstitials in CePd3:

    International Nuclear Information System (INIS)

    Nieva, G.L.

    1988-01-01

    The effect of the 'chemical pressure' on the intermediate valence compound CePd 3 , is studied by means of specific heat measurements with and without magnetic field. The addition of interstitials in the cubic structure on the alloys CePd 3 A H (A = B, Be, Si) is analyzed. At low interstitial concentration the thermal and magnetic properties that characterize the evolution of the Ce valence show a universal behaviour with the volume displaced by the interstitial. For higher concentrations two different behaviours were found in the trivalent state: a) With the larger interstitials, Be and Si, the system evolves toward a long range antiferromagnetic order; b) With the smaller interstitial, B, the system evolves toward a concentrated Kondo state. (Author) [es

  7. Equivalence of chemical and external pressures in RCoLnO

    Energy Technology Data Exchange (ETDEWEB)

    Prando, Giacomo; Ortix, Carmine; Kataev, Vladislav [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung (IFW), Dresden (Germany); Profeta, Gianni [SPIN-CNR e Dipartimento di Fisica, Universita dell' Aquila (Italy); Sanna, Samuele [Dipartimento di Fisica, Universita di Pavia (Italy); Khasanov, Rustem [Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institut, Villigen (Switzerland); Pal, Anand; Awana, Veer [National Physical Laboratory (CSIR), New Delhi (India); Buechner, Bernd [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung (IFW), Dresden (Germany); Institut fuer Festkoerperphysik, Technische Universitaet Dresden (Germany); De Renzi, Roberto [Dipartimento di Fisica, Universita di Parma e CNISM (Italy)

    2015-07-01

    We report on the local magnetic properties of the series of ferromagnetic (FM) materials RCoLnO (R = La, Pr, Nd, Sm; Ln = As, P) as investigated by means of muon spin spectroscopy under pressure P and electron spin resonance (ESR). The effect of P is shown to be quantitatively equivalent to the chemical lattice shrinkage triggered by the different ionic radii of R ions. This is verified for both experimental-dependent quantities (i.e., magnetic field at the muon site) and for intrinsically material-dependent properties (i.e., FM critical temperature T{sub C}). Results of ESR in a wide range of temperature and magnetic field clearly display that magnetism is of localized nature, despite the overall metallic behaviour of these materials.

  8. Translation Effects in Fluorine Doped Tin Oxide Thin Film Properties by Atmospheric Pressure Chemical Vapour Deposition

    Directory of Open Access Journals (Sweden)

    Mohammad Afzaal

    2016-10-01

    Full Text Available In this work, the impact of translation rates in fluorine doped tin oxide (FTO thin films using atmospheric pressure chemical vapour deposition (APCVD were studied. We demonstrated that by adjusting the translation speeds of the susceptor, the growth rates of the FTO films varied and hence many of the film properties were modified. X-ray powder diffraction showed an increased preferred orientation along the (200 plane at higher translation rates, although with no actual change in the particle sizes. A reduction in dopant level resulted in decreased particle sizes and a much greater degree of (200 preferred orientation. For low dopant concentration levels, atomic force microscope (AFM studies showed a reduction in roughness (and lower optical haze with increased translation rate and decreased growth rates. Electrical measurements concluded that the resistivity, carrier concentration, and mobility of films were dependent on the level of fluorine dopant, the translation rate and hence the growth rates of the deposited films.

  9. Evaluation of a dilute chemical decontaminant for pressurized heavy water reactors

    International Nuclear Information System (INIS)

    Velmurugan, S.; Narasimhan, S.V.; Mathur, P.K.; Venkateswarlu, K.S.

    1991-01-01

    In this paper a dilute chemical decontamination formulation based on ethylene diamine tetraacetic acid, oxalic acid, and citric acid is evaluated for its efficacy in removing oxide layers in a pressurized heavy water reactor (PHWR). An ion exchange system that is specifically suited for fission product-dominated contamination in a PHWR is suggested for the reagent regeneration stage of the decontamination process. An attempt has been made to understand the redeposition behavior of various isotopes during the decontamination process. The polarographic method of identifying the species formed in the dissolution process is explained. Electrochemical measurements are employed to follow the course of oxide removal during the dissolution process. Scanning electron micrographs of metal coupons before and after the dissolution process exemplify the involvement of base metal in the formation of a ferrous oxalate layer. Material compatibility tests between the decontaminant and carbon steel, Monel-400, and Zircaloy-2 are reported

  10. The electrical properties of low pressure chemical vapor deposition Ga doped ZnO thin films depending on chemical bonding configuration

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Hanearl [School of Electrical and Electronic Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 120-749 (Korea, Republic of); Kim, Doyoung [School of Electrical and Electronic Engineering, Ulsan College, 57 Daehak-ro, Nam-gu, Ulsan 680-749 (Korea, Republic of); Kim, Hyungjun, E-mail: hyungjun@yonsei.ac.kr [School of Electrical and Electronic Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 120-749 (Korea, Republic of)

    2014-04-01

    Highlights: • Undoped and Ga doped ZnO thin films were deposited using DEZ and TMGa. • Effects of Ga doping using TMGa in Ga doped ZnO were investigated. • Degraded properties from excessive doping were analyzed using chemical bondings. - Abstract: The electrical and chemical properties of low pressure chemical vapor deposition (LP-CVD) Ga doped ZnO (ZnO:Ga) films were systematically investigated using Hall measurement and X-ray photoemission spectroscopy (XPS). Diethylzinc (DEZ) and O{sub 2} gas were used as precursor and reactant gas, respectively, and trimethyl gallium (TMGa) was used as a Ga doping source. Initially, the electrical properties of undoped LP-CVD ZnO films depending on the partial pressure of DEZ and O{sub 2} ratio were investigated using X-ray diffraction (XRD) by changing partial pressure of DEZ from 40 to 140 mTorr and that of O{sub 2} from 40 to 80 mTorr. The resistivity was reduced by Ga doping from 7.24 × 10{sup −3} Ω cm for undoped ZnO to 2.05 × 10{sup −3} Ω cm for Ga doped ZnO at the TMG pressure of 8 mTorr. The change of electric properties of Ga doped ZnO with varying the amount of Ga dopants was systematically discussed based on the structural crystallinity and chemical bonding configuration, analyzed by XRD and XPS, respectively.

  11. Decontamination of chemical and biological warfare (CBW) agents using an atmospheric pressure plasma jet (APPJ)

    International Nuclear Information System (INIS)

    Herrmann, H.W.; Henins, I.; Park, J.; Selwyn, G.S.

    1999-01-01

    The atmospheric pressure plasma jet (APPJ) [A. Schuetze et al., IEEE Trans. Plasma Sci. 26, 1685 (1998)] is a nonthermal, high pressure, uniform glow plasma discharge that produces a high velocity effluent stream of highly reactive chemical species. The discharge operates on a feedstock gas (e.g., He/O 2 /H 2 O), which flows between an outer, grounded, cylindrical electrode and an inner, coaxial electrode powered at 13.56 MHz rf. While passing through the plasma, the feedgas becomes excited, dissociated or ionized by electron impact. Once the gas exits the discharge volume, ions and electrons are rapidly lost by recombination, but the fast-flowing effluent still contains neutral metastable species (e.g., O 2 * , He * ) and radicals (e.g., O, OH). This reactive effluent has been shown to be an effective neutralizer of surrogates for anthrax spores and mustard blister agent. Unlike conventional wet decontamination methods, the plasma effluent does not cause corrosion and it does not destroy wiring, electronics, or most plastics, making it highly suitable for decontamination of sensitive equipment and interior spaces. Furthermore, the reactive species in the effluent rapidly degrade into harmless products leaving no lingering residue or harmful by-products. copyright 1999 American Institute of Physics

  12. Decontamination of chemical and biological warfare (CBW) agents using an atmospheric pressure plasma jet (APPJ)

    Science.gov (United States)

    Herrmann, H. W.; Henins, I.; Park, J.; Selwyn, G. S.

    1999-05-01

    The atmospheric pressure plasma jet (APPJ) [A. Schütze et al., IEEE Trans. Plasma Sci. 26, 1685 (1998)] is a nonthermal, high pressure, uniform glow plasma discharge that produces a high velocity effluent stream of highly reactive chemical species. The discharge operates on a feedstock gas (e.g., He/O2/H2O), which flows between an outer, grounded, cylindrical electrode and an inner, coaxial electrode powered at 13.56 MHz rf. While passing through the plasma, the feedgas becomes excited, dissociated or ionized by electron impact. Once the gas exits the discharge volume, ions and electrons are rapidly lost by recombination, but the fast-flowing effluent still contains neutral metastable species (e.g., O2*, He*) and radicals (e.g., O, OH). This reactive effluent has been shown to be an effective neutralizer of surrogates for anthrax spores and mustard blister agent. Unlike conventional wet decontamination methods, the plasma effluent does not cause corrosion and it does not destroy wiring, electronics, or most plastics, making it highly suitable for decontamination of sensitive equipment and interior spaces. Furthermore, the reactive species in the effluent rapidly degrade into harmless products leaving no lingering residue or harmful by-products.

  13. Decontamination of Chemical/Biological Warfare (CBW) Agents Using an Atmospheric Pressure Plasma Jet (APPJ)

    Science.gov (United States)

    Herrmann, Hans W.

    1998-11-01

    The atmospheric pressure plasma jet (APPJ) is a non-thermal, high pressure, uniform glow discharge that produces a high velocity effluent stream of highly reactive chemical species. The discharge operates on a feedstock gas (e.g. He/O_2/H_2O) which flows between an outer, grounded, cylindrical electrode and an inner, coaxial electrode powered at 13.56 MHz RF. While passing through the plasma, the feedgas becomes excited, dissociated or ionized by electron impact. Once the gas exits the discharge volume, ions and electrons are rapidly lost by recombination, but the fast-flowing effluent still contains metastables (e.g. O2*, He*) and radicals (e.g. O, OH). These reactive species have been shown to be effective neutralizers of surrogates for anthrax spores, mustard blister agent and VX nerve gas. Unlike conventional, wet decontamination methods, the plasma effluent does not cause corrosion of most surfaces and does not damage wiring, electronics, nor most plastics. This makes it highly suitable for decontamination of high value sensitive equipment such as is found in vehicle interiors (i.e. tanks, planes...) for which there is currently no good decontamination technique. Furthermore, the reactive species rapidly degrade into harmless products leaving no lingering residue or harmful byproducts. Physics of the APPJ will be discussed and results of surface decontamination experiments using simulant and actual CBW agents will be presented.

  14. High-Pressure Turbulent Flame Speeds and Chemical Kinetics of Syngas Blends with and without Impurities

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric; Mathieu, Olivier; Morones, Anibal; Ravi, Sankar; Keesee, Charles; Hargis, Joshua; Vivanco, Jose

    2014-12-01

    This Topical Report documents the first year of the project, from October 1, 2013 through September 30, 2014. Efforts for this project included experiments to characterize the atmospheric-pressure turbulent flame speed vessel over a range of operating conditions (fan speeds and turbulent length scales). To this end, a new LDV system was acquired and set up for the detailed characterization of the turbulence field. Much progress was made in the area of impurity kinetics, which included a numerical study of the effect of impurities such as NO2, NO, H2S, and NH3 on ignition delay times and laminar flame speeds of syngas blends at engine conditions. Experiments included a series of laminar flame speed measurements for syngas (CO/H2) blends with various levels of CH4 and C2H6 addition, and the results were compared to the chemical kinetics model of NUI Galway. Also, a final NOx kinetics mechanism including ammonia was assembled, and a journal paper was written and is now in press. Overall, three journal papers and six conference papers related to this project were published this year. Finally, much progress was made on the design of the new high-pressure turbulent flame speed facility. An overall design that includes a venting system was decided upon, and the detailed design is in progress.

  15. Pressure dependence of side chain 13C chemical shifts in model peptides Ac-Gly-Gly-Xxx-Ala-NH2.

    Science.gov (United States)

    Beck Erlach, Markus; Koehler, Joerg; Crusca, Edson; Munte, Claudia E; Kainosho, Masatsune; Kremer, Werner; Kalbitzer, Hans Robert

    2017-10-01

    For evaluating the pressure responses of folded as well as intrinsically unfolded proteins detectable by NMR spectroscopy the availability of data from well-defined model systems is indispensable. In this work we report the pressure dependence of 13 C chemical shifts of the side chain atoms in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH 2 (Xxx, one of the 20 canonical amino acids). Contrary to expectation the chemical shifts of a number of nuclei have a nonlinear dependence on pressure in the range from 0.1 to 200 MPa. The size of the polynomial pressure coefficients B 1 and B 2 is dependent on the type of atom and amino acid studied. For H N , N and C α the first order pressure coefficient B 1 is also correlated to the chemical shift at atmospheric pressure. The first and second order pressure coefficients of a given type of carbon atom show significant linear correlations suggesting that the NMR observable pressure effects in the different amino acids have at least partly the same physical cause. In line with this observation the magnitude of the second order coefficients of nuclei being direct neighbors in the chemical structure also are weakly correlated. The downfield shifts of the methyl resonances suggest that gauche conformers of the side chains are not preferred with pressure. The valine and leucine methyl groups in the model peptides were assigned using stereospecifically 13 C enriched amino acids with the pro-R carbons downfield shifted relative to the pro-S carbons.

  16. Extractive Atmospheric Pressure Photoionization (EAPPI) Mass Spectrometry: Rapid Analysis of Chemicals in Complex Matrices.

    Science.gov (United States)

    Liu, Chengyuan; Yang, Jiuzhong; Wang, Jian; Hu, Yonghua; Zhao, Wan; Zhou, Zhongyue; Qi, Fei; Pan, Yang

    2016-10-01

    Extractive atmospheric pressure photoionization (EAPPI) mass spectrometry was designed for rapid qualitative and quantitative analysis of chemicals in complex matrices. In this method, an ultrasonic nebulization system was applied to sample extraction, nebulization, and vaporization. Mixed with a gaseous dopant, vaporized analytes were ionized through ambient photon-induced ion-molecule reactions, and were mass-analyzed by a high resolution time-of-flight mass spectrometer (TOF-MS). After careful optimization and testing with pure sample solution, EAPPI was successfully applied to the fast screening of capsules, soil, natural products, and viscous compounds. Analysis was completed within a few seconds without the need for preseparation. Moreover, the quantification capability of EAPPI for matrices was evaluated by analyzing six polycyclic aromatic hydrocarbons (PAHs) in soil. The correlation coefficients (R (2) ) for standard curves of all six PAHs were above 0.99, and the detection limits were in the range of 0.16-0.34 ng/mg. In addition, EAPPI could also be used to monitor organic chemical reactions in real time. Graphical Abstract ᅟ.

  17. Understanding chemical-potential-related transient pore-pressure response to improve real-time borehole (in)stability predictions

    Energy Technology Data Exchange (ETDEWEB)

    Tare, U. A.; Mody, F. K.; Mese, A. I. [Haliburton Energy Services, TX (United States)

    2002-07-01

    In order to develop a real-time wellbore (in)stability modelling capability, experimental work was carried out to investigate the role of the chemical potential of drilling fluids on transient pore pressure and time-dependent rock property alterations of shale formations. Time-dependent alterations in the pore pressure, acoustic and rock properties of formations subjected to compressive tri-axial test were recorded during the experiments involving the Pore Pressure Transmission (PPT) test. Based on the transient pore pressure of shale exposed to the test fluid presented here, the 20 per cent calcium chloride showed a very low membrane efficiency of 4.45 per cent. The need for a thorough understanding of the drilling fluid/shale interaction prior to applying any chemical potential wellbore (in)stability model to real-time drilling operations was emphasized. 9 refs., 5 figs.

  18. Development of a general model for determination of thermal conductivity of liquid chemical compounds at atmospheric pressure

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Ilani‐Kashkouli, Poorandokht; Sattari, Mehdi

    2013-01-01

    In this communication, a general model for representation/presentation of the liquid thermal conductivity of chemical compounds (mostly organic) at 1 atm pressure for temperatures below normal boiling point and at saturation pressure for temperatures above the normal boiling point is developed...... using the Gene Expression Programming algorithm. Approximately 19,000 liquid thermal conductivity data at different temperatures related to 1636 chemical compounds collected from the DIPPR 801 database are used to obtain the model as well as to assess its predictive capability. The parameters...

  19. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    International Nuclear Information System (INIS)

    Kustova, Elena V.; Kremer, Gilberto M.

    2014-01-01

    Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N 2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure

  20. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    Energy Technology Data Exchange (ETDEWEB)

    Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

    2014-12-05

    Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

  1. Optimization and characterization of high pressure homogenization produced chemically modified starch nanoparticles.

    Science.gov (United States)

    Ding, Yongbo; Kan, Jianquan

    2017-12-01

    Chemically modified starch (RS4) nanoparticles were synthesized through homogenization and water-in-oil mini-emulsion cross-linking. Homogenization was optimized with regard to z-average diameter by using a three-factor-three-level Box-Behnken design. Homogenization pressure (X 1 ), oil/water ratio (X 2 ), and surfactant (X 3 ) were selected as independent variables, whereas z-average diameter was considered as a dependent variable. The following optimum preparation conditions were obtained to achieve the minimum average size of these nanoparticles: 50 MPa homogenization pressure, 10:1 oil/water ratio, and 2 g surfactant amount, when the predicted z-average diameter was 303.6 nm. The physicochemical properties of these nanoparticles were also determined. Dynamic light scattering experiments revealed that RS4 nanoparticles measuring a PdI of 0.380 and an average size of approximately 300 nm, which was very close to the predicted z-average diameter (303.6 nm). The absolute value of zeta potential of RS4 nanoparticles (39.7 mV) was higher than RS4 (32.4 mV), with strengthened swelling power. X-ray diffraction results revealed that homogenization induced a disruption in crystalline structure of RS4 nanoparticles led to amorphous or low-crystallinity. Results of stability analysis showed that RS4 nanosuspensions (particle size) had good stability at 30 °C over 24 h.

  2. Characterization of nitrated sugar alcohols by atmospheric-pressure chemical-ionization mass spectrometry.

    Science.gov (United States)

    Ostrinskaya, Alla; Kelley, Jude A; Kunz, Roderick R

    2017-02-28

    The nitrated sugar alcohols mannitol hexanitrate (MHN), sorbitol hexanitrate (SHN) and xylitol pentanitrate (XPN) are in the same class of compounds as the powerful military-grade explosive pentaerythritol tetranitrate (PETN) and the homemade explosive erythritol tetranitrate (ETN) but, unlike for PETN and ETN, ways to detect MHN, SHN and XPN by mass spectrometry (MS) have not been fully investigated. Atmospheric-pressure chemical-ionization mass spectrometry (APCI-MS) was used to detect ions characteristic of nitrated sugar alcohols. APCI time-of-flight mass spectrometry (APCI-TOF MS) and collision-induced dissociation tandem mass spectrometry (CID MS/MS) were used for confirmation of each ion assignment. In addition, the use of the chemical ionization reagent dichloromethane was investigated to improve sensitivity and selectivity for detection of MHN, SHN and XPN. All the nitrated sugar alcohols studied followed similar fragmentation pathways in the APCI source. MHN, SHN and XPN were detectable as fragment ions formed by the loss of NO 2 , HNO 2 , NO 3 , and CH 2 NO 2 groups, and in the presence of dichloromethane chlorinated adduct ions were observed. It was determined that in MS/MS mode, chlorinated adducts of MHN and SHN had the lowest limits of detection (LODs), while for XPN the lowest LOD was for the [XPN-NO 2 ] - fragment ion. Partially nitrated analogs of each of the three compounds were also present in the starting materials, and ions attributable to these compounds versus those formed from in-source fragmentation of MHN, SHN, and XPN were distinguished and assigned using liquid chromatography APCI-MS and ESI-MS. The APCI-MS technique provides a selective and sensitive method for the detection of nitrated sugar alcohols. The methods disclosed here will benefit the area of explosives trace detection for counterterrorism and forensics. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  3. Application of the cubic-plus-association equation of state to mixtures with polar chemicals and high pressures

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    was given to low pressures and liquid-liquid equilibria. In this work, CPA is applied to two classes of mixtures containing polar chemicals for which high-pressure data are available: acetone-containing systems and dimethyl ether mixtures. They are of both scientific and industrial importance. Moreover, CPA......The cubic-plus-association (CPA) equation of state has been previously applied to vapor-liquid, liquid-liquid, and solid-liquid equilibria of mixtures containing associating compounds (water, alcohols, glycols, acids, amines). Although some high-pressure applications have been presented, emphasis...... to conventional models such as MHV2. Very good results are also obtained for multicomponent vapor-liquid-liquid equilibria for mixtures containing gases, water, and dimethyl ether. Finally, it is shown that high-pressure SLE can be predicted based on interaction parameters obtained from low-pressure SLE data....

  4. Osmotic Pressure of Aqueous Electrolyte Solutions via Molecular Simulations of Chemical Potentials: Application to NaCl.

    Czech Academy of Sciences Publication Activity Database

    Smith, W.R.; Moučka, F.; Nezbeda, Ivo

    2016-01-01

    Roč. 407, Sl (2016), s. 76-83 ISSN 0378-3812 Grant - others:NSERC(CA) OGP1041 Institutional support: RVO:67985858 Keywords : osmotic pressure * chemical potential * molecular simulation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.473, year: 2016

  5. Influence of High Hydrostatic Pressure Technology on Wine Chemical and Sensorial Characteristics: Potentialities and Drawbacks.

    Science.gov (United States)

    Nunes, Cláudia; Santos, Mickael C; Saraiva, Jorge A; Rocha, Sílvia M; Coimbra, Manuel A

    During last years, scientific research on high hydrostatic pressure (HHP) as a nonthermal processing technology for preservation or aging of wine has increased substantially. HHP between 200 and 500MPa is able to inactivate bacteria and yeasts in red and white wines, suggesting that it may be used for wine preservation. However, these treatments have been shown to promote changes on sensorial and physicochemical characteristics in both red and white wines, not immediately in the first month, but along storage. The changes are observed in wine color, aroma, and taste due mainly to reactions of phenolic compounds, sugars, and proteins. These reactions have been associated with those observed during wine aging, leading to aged-like wine characteristics perceived by sensorial analysis. This chapter will present the influence of HHP technology on wine chemical and sensorial characteristics, criticaly discussing its potentialities and drawbacks. The appropriate use of HHP, based on the scientific knowledge of the reactions occuring in wine promoted by HHP, will allow to exploit this technology for wine production achieving distinct characteristics to address particular market and consumer demands. © 2017 Elsevier Inc. All rights reserved.

  6. Pressurized liquid extraction and chemical characterization of safflower oil: A comparison between methods.

    Science.gov (United States)

    Conte, Rogério; Gullich, Letícia M D; Bilibio, Denise; Zanella, Odivan; Bender, João P; Carniel, Naira; Priamo, Wagner L

    2016-12-15

    This work investigates the extraction process of safflower oil using pressurized ethanol, and compares the chemical composition obtained (in terms of fatty acids) with other extraction techniques. Soxhlet and Ultrasound showed maximum global yield of 36.53% and 30.41%, respectively (70°C and 240min). PLE presented maximum global yields of 25.62% (3mLmin(-1)), 19.94% (2mLmin(-1)) and 12.37% (1mLmin(-1)) at 40°C, 100bar and 60min. Palmitic acid showed the lower concentration in all experimental conditions (from 5.70% to 7.17%); Stearic and Linoleic acid presented intermediate concentrations (from 2.93% to 25.09% and 14.09% to 19.06%, respectively); Oleic acid showed higher composition (from 55.12% to 83.26%). Differences between percentages of fatty acids, depending on method were observed. Results may be applied to maximize global yields and select fatty acids, reducing the energetic costs and process time. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Document authentication at molecular levels using desorption atmospheric pressure chemical ionization mass spectrometry imaging.

    Science.gov (United States)

    Li, Ming; Jia, Bin; Ding, Liying; Hong, Feng; Ouyang, Yongzhong; Chen, Rui; Zhou, Shumin; Chen, Huanwen; Fang, Xiang

    2013-09-01

    Molecular images of documents were obtained by sequentially scanning the surface of the document using desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS), which was operated in either a gasless, solvent-free or methanol vapor-assisted mode. The decay process of the ink used for handwriting was monitored by following the signal intensities recorded by DAPCI-MS. Handwritings made using four types of inks on four kinds of paper surfaces were tested. By studying the dynamic decay of the inks, DAPCI-MS imaging differentiated a 10-min old from two 4 h old samples. Non-destructive forensic analysis of forged signatures either handwritten or computer-assisted was achieved according to the difference of the contour in DAPCI images, which was attributed to the strength personalized by different writers. Distinction of the order of writing/stamping on documents and detection of illegal printings were accomplished with a spatial resolution of about 140 µm. A Matlab® written program was developed to facilitate the visualization of the similarity between signature images obtained by DAPCI-MS. The experimental results show that DAPCI-MS imaging provides rich information at the molecular level and thus can be used for the reliable document analysis in forensic applications. © 2013 The Authors. Journal of Mass Spectrometry published by John Wiley & Sons, Ltd.

  8. Atmospheric Pressure Spray Chemical Vapor Deposited CuInS2 Thin Films for Photovoltaic Applications

    Science.gov (United States)

    Harris, J. D.; Raffaelle, R. P.; Banger, K. K.; Smith, M. A.; Scheiman, D. A.; Hepp, A. F.

    2002-01-01

    Solar cells have been prepared using atmospheric pressure spray chemical vapor deposited CuInS2 absorbers. The CuInS2 films were deposited at 390 C using the single source precursor (PPh3)2CuIn(SEt)4 in an argon atmosphere. The absorber ranges in thickness from 0.75 - 1.0 micrometers, and exhibits a crystallographic gradient, with the leading edge having a (220) preferred orientation and the trailing edge having a (112) orientation. Schottky diodes prepared by thermal evaporation of aluminum contacts on to the CuInS2 yielded diodes for films that were annealed at 600 C. Solar cells were prepared using annealed films and had the (top down) composition of Al/ZnO/CdS/CuInS2/Mo/Glass. The Jsc, Voc, FF and (eta) were 6.46 mA per square centimeter, 307 mV, 24% and 0.35%, respectively for the best small area cells under simulated AM0 illumination.

  9. Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

    KAUST Repository

    Hourani, Nadim

    2013-10-01

    Rationale Polycyclic aromatic sulfur heterocycles (PASHs) are detrimental species for refining processes in petroleum industry. Current mass spectrometric Methods that determine their composition are often preceded by derivatization and dopant addition approaches. Different ionization Methods have different impact on the molecular assignment of complex PASHs. The analysis of such species under atmospheric pressure chemical ionization (APCI) is still considered limited due to uncontrolled ion generation with low- and high-mass PASHs. Methods The ionization behavior of a model mixture of five selected PASH standards was investigated using an APCI source with nitrogen as the reagent gas. A complex thiophenic fraction was separated from a vacuum gas oil (VGO) and injected using the same method. The samples were analyzed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). RESULTS PASH model analytes were successfully ionized and mainly [M + H]+ ions were produced. The same ionization pattern was observed for the real thiophenic sample. It was found that S1 class species were the major sulfur-containing species found in the VGO sample. These species indicated the presence of alkylated benzothiophenic (BT), dibenzothiophenic (DBT) and benzonaphthothiophenic (BNT) series that were detected by APCI-FTICR MS. CONCLUSIONS This study provides an established APCI-FTICR MS method for the analysis of complex PASHs. PASHs were detected without using any derivatization and without fragmentation. The method can be used for the analysis of S-containing crude oil samples. © 2013 John Wiley & Sons, Ltd.

  10. Investigation on the relation between pressure drops and fluid chemical treatment

    International Nuclear Information System (INIS)

    Brun, C.; Engler, N.; Berthollon, G.; Muller, T.; Sala, B.; Combrade, P.; Turluer, G.

    2002-01-01

    Variations of primary coolant flow rate were sometimes observed on some plants some years ago. These variations come from variations of pressure drops in the various zones of the primary system. After many investigations, these changes were attributed to variations of physical and chemical conditions. One specific difficulty was to explain the level of head loss variations with the low amount of oxide present in a primary circuit. Another one was to account for the formation of deposits under high water velocity conditions. Therefore, Framatome-ANP launched laboratory tests to reproduce the observed head loss variations, identify the conditions of their occurrence and try to identify the root mechanisms. A small loop - called EMILIE - was implemented in the laboratories of the Technical Centre of Framatome-ANP in Le Creusot. It allows us to study the effect of the water chemistry and velocity, as well as the nature of the circuit surfaces on the occurrence of head loss variations and their relation with the amount, nature and morphology of oxide deposits. This paper summarizes the first results obtained and briefly discusses a possible mechanism. (authors)

  11. Uniformly Distributed Graphene Domain Grows on Standing Copper via Low-Pressure Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    Shih-Hao Chan

    2013-01-01

    Full Text Available Uniformly distributed graphene domains were synthesized on standing copper foil by a low-pressure chemical vapor deposition system. This method improved the distribution of the graphene domains at different positions on the same piece of copper foil along the forward direction of the gas flow. Scanning electron microscopy (SEM showed the average size of the graphene domains to be about ~20 m. This results show that the sheet resistance of monolayer graphene on a polyethylene terephthalate (PET substrate is about ~359 /□ whereas that of the four-layer graphene films is about ~178 /□, with a transmittance value of 88.86% at the 550 nm wavelength. Furthermore, the sheet resistance can be reduced with the addition of HNO3 resulting in a value of 84 /□. These values meet the absolute standard for touch sensor applications, so we believe that this method can be a candidate for some transparent conductive electrode applications.

  12. Flame Atmospheric Pressure Chemical Ionization Coupled with Negative Electrospray Ionization Mass Spectrometry for Ion Molecule Reactions.

    Science.gov (United States)

    Cheng, Sy-Chyi; Bhat, Suhail Muzaffar; Shiea, Jentaie

    2017-07-01

    Flame atmospheric pressure chemical ionization (FAPCI) combined with negative electrospray ionization (ESI) mass spectrometry was developed to detect the ion/molecule reactions (IMRs) products between nitric acid (HNO 3 ) and negatively charged amino acid, angiotensin I (AI) and angiotensin II (AII), and insulin ions. Nitrate and HNO 3 -nitrate ions were detected in the oxyacetylene flame, suggesting that a large quantity of nitric acid (HNO 3 ) was produced in the flame. The HNO 3 and negatively charged analyte ions produced by a negative ESI source were delivered into each arm of a Y-shaped stainless steel tube where they merged and reacted. The products were subsequently characterized with an ion trap mass analyzer attached to the exit of the Y-tube. HNO 3 showed the strongest affinity to histidine and formed (M histidine -H+HNO 3 ) - complex ions, whereas some amino acids did not react with HNO 3 at all. Reactions between HNO 3 and histidine residues in AI and AII resulted in the formation of dominant [M AI -H+(HNO 3 )] - and [M AII -H+(HNO 3 )] - ions. Results from analyses of AAs and insulin indicated that HNO 3 could not only react with basic amino acid residues, but also with disulfide bonds to form [M-3H+(HNO 3 ) n ] 3- complex ions. This approach is useful for obtaining information about the number of basic amino acid residues and disulfide bonds in peptides and proteins. Graphical Abstract ᅟ.

  13. Diamond synthesis at atmospheric pressure by microwave capillary plasma chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Hemawan, Kadek W.; Gou, Huiyang; Hemley, Russell J. [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Rd., NW, Washington, DC 20015 (United States)

    2015-11-02

    Polycrystalline diamond has been synthesized on silicon substrates at atmospheric pressure, using a microwave capillary plasma chemical vapor deposition technique. The CH{sub 4}/Ar plasma was generated inside of quartz capillary tubes using 2.45 GHz microwave excitation without adding H{sub 2} into the deposition gas chemistry. Electronically excited species of CN, C{sub 2}, Ar, N{sub 2}, CH, H{sub β}, and H{sub α} were observed in the emission spectra. Raman measurements of deposited material indicate the formation of well-crystallized diamond, as evidenced by the sharp T{sub 2g} phonon at 1333 cm{sup −1} peak relative to the Raman features of graphitic carbon. Field emission scanning electron microscopy images reveal that, depending on the growth conditions, the carbon microstructures of grown films exhibit “coral” and “cauliflower-like” morphologies or well-facetted diamond crystals with grain sizes ranging from 100 nm to 10 μm.

  14. Experimental study on the influence of chemical sensitizer on pressure resistance in deep water of emulsion explosives

    Science.gov (United States)

    Liu, Lei; zhang, Zhihua; Wang, Ya; Qin, hao

    2018-03-01

    The study on the pressure resistance performance of emulsion explosives in deep water can provide theoretical basis for underwater blasting, deep-hole blasting and emulsion explosives development. The sensitizer is an important component of emulsion explosives. By using reusable experimental devices to simulate the charge environment in deep water, the influence of the content of chemical sensitizer on the deep-water pressure resistance performance of emulsion explosives was studied. The experimental results show that with the increasing of the content of chemical sensitizer, the deep-water pressure resistance performance of emulsion explosives gradually improves, and when the pressure is fairly large, the effect is particularly pronounced; in a certain range, with the increase of the content of chemical sensitizer, that emulsion explosives’ explosion performance also gradually improve, but when the content reaches a certain value, the explosion properties declined instead; under the same emulsion matrix condition, when the content of NANO2 is 0.2%, that the emulsion explosives has good resistance to water pressure and good explosion properties. The correctness of the results above was testified in model blasting.

  15. Pressure dependence of backbone chemical shifts in the model peptides Ac-Gly-Gly-Xxx-Ala-NH2.

    Science.gov (United States)

    Erlach, Markus Beck; Koehler, Joerg; Crusca, Edson; Kremer, Werner; Munte, Claudia E; Kalbitzer, Hans Robert

    2016-06-01

    For a better understanding of nuclear magnetic resonance (NMR) detected pressure responses of folded as well as unstructured proteins the availability of data from well-defined model systems are indispensable. In this work we report the pressure dependence of chemical shifts of the backbone atoms (1)H(α), (13)C(α) and (13)C' in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH2 (Xxx one of the 20 canonical amino acids). Contrary to expectation the chemical shifts of these nuclei have a nonlinear dependence on pressure in the range from 0.1 to 200 MPa. The polynomial pressure coefficients B 1 and B 2 are dependent on the type of amino acid studied. The coefficients of a given nucleus show significant linear correlations suggesting that the NMR observable pressure effects in the different amino acids have at least partly the same physical cause. In line with this observation the magnitude of the second order coefficients of nuclei being direct neighbors in the chemical structure are also weakly correlated.

  16. Pressure dependence of backbone chemical shifts in the model peptides Ac-Gly-Gly-Xxx-Ala-NH{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Erlach, Markus Beck; Koehler, Joerg [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany); Crusca, Edson [University of São Paulo, Physics Institute of São Carlos (Brazil); Kremer, Werner [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany); Munte, Claudia E. [University of São Paulo, Physics Institute of São Carlos (Brazil); Kalbitzer, Hans Robert, E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany)

    2016-06-15

    For a better understanding of nuclear magnetic resonance (NMR) detected pressure responses of folded as well as unstructured proteins the availability of data from well-defined model systems are indispensable. In this work we report the pressure dependence of chemical shifts of the backbone atoms {sup 1}H{sup α}, {sup 13}C{sup α} and {sup 13}C′ in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH{sub 2} (Xxx one of the 20 canonical amino acids). Contrary to expectation the chemical shifts of these nuclei have a nonlinear dependence on pressure in the range from 0.1 to 200 MPa. The polynomial pressure coefficients B{sub 1} and B{sub 2} are dependent on the type of amino acid studied. The coefficients of a given nucleus show significant linear correlations suggesting that the NMR observable pressure effects in the different amino acids have at least partly the same physical cause. In line with this observation the magnitude of the second order coefficients of nuclei being direct neighbors in the chemical structure are also weakly correlated.Graphical Abstract.

  17. Observation of non-chemical equilibrium effect on Ar-CO2-H2 thermal plasma model by changing pressure

    International Nuclear Information System (INIS)

    Al-Mamun, Sharif Abdullah; Tanaka, Yasunori; Uesugi, Yoshihiko

    2009-01-01

    The authors developed a two-dimensional one-temperature chemical non-equilibrium (1T-NCE) model of Ar-CO 2 -H 2 inductively coupled thermal plasmas (ICTP) to investigate the effect of pressure variation. The basic concept of one-temperature model is the assumption and treatment of the same energy conservation equation for electrons and heavy particles. The energy conservation equations consider reaction heat effects and energy transfer among the species produced as well as enthalpy flow resulting from diffusion. Assuming twenty two (22) different particles in this model and by solving mass conservation equations for each particle, considering diffusion, convection and net production terms resulting from hundred and ninety eight (198) chemical reactions, chemical non-equilibrium effects were taken into account. Transport and thermodynamic properties of Ar-CO 2 -H 2 thermal plasmas were self-consistently calculated using the first-order approximation of the Chapman-Enskog method. Finally results obtained at atmospheric pressure (760 Torr) and at reduced pressure (500, 300 Torr) were compared with results from one-temperature chemical equilibrium (1T-CE) model. And of course, this comparison supported discussion of chemical non-equilibrium effects in the inductively coupled thermal plasmas (ICTP).

  18. Development of a combined piezoresistive pressure and temperature sensor using a chemical protective coating for Kraft pulp digester process monitoring

    International Nuclear Information System (INIS)

    Mohammadi, Abdolreza R; Chiao, Mu; Bennington, Chad P J

    2011-01-01

    We have developed an integrated piezoresistive pressure and temperature sensor for multiphase chemical reactors, primarily Kraft pulp digesters (pH 13.5, temperatures up to 175 °C, reaching a local maximum of 180 °C and pressures up to 2 MPa). The absolute piezoresistive pressure sensor consisted of a large square silicon diaphragm (1000 × 1000 µm 2 ) and high resistance piezoresistors (10 000 Ω). A 4500 Ω buried piezoresistive wire was patterned on the silicon chip to form a piezoresistive temperature sensor which was used for pressure sensor compensation and temperature measurement. A 4 µm thick Parylene HT® coating, a chemically resistant epoxy and a silicone conformal coating were deposited to passivate the pressure sensor against the caustic environment in Kraft digesters. The sensors were characterized up to 2 MPa and 180 °C in an environment chamber. A maximum thermal error of ±0.72% full-scale output (FSO), an average sensitivity of 0.116 mV (V kPa) −1 and a power consumption of 0.3 mW were measured in the pressure sensor. The sensors' resistances were measured before and after test in a Kraft pulping cycle and showed no change in their values. SEM pictures and topographical surfaces were also analyzed before and after pulp liquor exposure and showed no observable changes.

  19. High pressure stability analysis and chemical bonding of Ti1-xZrxN alloy: A first principle study

    International Nuclear Information System (INIS)

    Chauhan, Mamta; Gupta, Dinesh C.

    2016-01-01

    First-principles pseudo-potential calculations have been performed to analyze the stability of Ti 1-x Zr x N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti 1-x Zr x N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

  20. The physico-chemical radioiodine species in the exhaust air of a pressurized water reactor (PWR2)

    International Nuclear Information System (INIS)

    Deuber, H.

    1981-12-01

    In a German pressurized water reactor, the physico-chemical 131 I species were determined in the plant exhaust and in the individual exhausts during 6 months. These measurements aimed in particular at determining the percentage and the source of the radiologically decisive elemental 131 I released to the environment. The retention of the 131 I species by iodine filters was also investigated. 20 to 30% of the 131 I discharged with the plant exhaust consisted of elemental iodine. This was largely released with the unfiltered exhaust from the chemical laboratory hoods and from the annular compartment. (orig.) [de

  1. Chemical vapor deposition of hexagonal boron nitride films in the reduced pressure

    International Nuclear Information System (INIS)

    Choi, B.J.

    1999-01-01

    Hexagonal boron nitride (h-BN) films were deposited onto a graphite substrate in reduced pressure by reacting ammonia and boron tribromide at 800--1,200 C. The growth rate of h-BN films was dependent on the substrate temperature and the total pressures. The growth rate increased with increasing the substrate temperature at the pressure of 2 kPa, while it showed a maximum value at the pressures of 4 and 8 kPa. The temperature at which the maximum growth rate occurs decreased with increasing total pressure. With increasing the substrate temperature and total pressure, the apparent grain size increased and the surface morphology showed a rough, cauliflower-like structure

  2. On the Origin of Light Emission in Silicon Rich Oxide Obtained by Low-Pressure Chemical Vapor Deposition

    OpenAIRE

    Aceves-Mijares, M.; González-Fernández, A. A.; López-Estopier, R.; Luna-López, A.; Berman-Mendoza, D.; Morales, A.; Falcony, C.; Domínguez, C.; Murphy-Arteaga, R.

    2012-01-01

    Silicon Rich Oxide (SRO) has been considered as a material to overcome the drawbacks of silicon to achieve optical functions. Various techniques can be used to produce it, including Low-Pressure Chemical Vapor Deposition (LPCVD). In this paper, a brief description of the studies carried out and discussions of the results obtained on electro-, cathode-, and photoluminescence properties of SRO prepared by LPCVD and annealed at 1,100°C are presented. The experimental results lead us to accept th...

  3. Apparatus and method for enhanced chemical processing in high pressure and atmospheric plasmas produced by high frequency electromagnetic waves

    Science.gov (United States)

    Efthimion, Philip C.; Helfritch, Dennis J.

    1989-11-28

    An apparatus and method for creating high temperature plasmas for enhanced chemical processing of gaseous fluids, toxic chemicals, and the like, at a wide range of pressures, especially at atmospheric and high pressures includes an electro-magnetic resonator cavity, preferably a reentrant cavity, and a wave guiding structure which connects an electro-magnetic source to the cavity. The cavity includes an intake port and an exhaust port, each having apertures in the conductive walls of the cavity sufficient for the intake of the gaseous fluids and for the discharge of the processed gaseous fluids. The apertures are sufficiently small to prevent the leakage of the electro-magnetic radiation from the cavity. Gaseous fluid flowing from the direction of the electro-magnetic source through the guiding wave structure and into the cavity acts on the plasma to push it away from the guiding wave structure and the electro-magnetic source. The gaseous fluid flow confines the high temperature plasma inside the cavity and allows complete chemical processing of the gaseous fluids at a wide range of pressures.

  4. Influence of reactions heats on variation of radius, temperature, pressure and chemical species amounts within a single acoustic cavitation bubble.

    Science.gov (United States)

    Kerboua, Kaouther; Hamdaoui, Oualid

    2018-03-01

    The scientific interest toward the study of acoustic bubble is mainly explained by its practical benefit in providing a reactional media favorable to the rapid evolution of chemical mechanism. The evolution of this mechanism is related to the simultaneous and dependent variation of the volume, temperature and pressure within the bubble, retrieved by the resolution of a differential equations system, including among others the thermal balance. This last one is subject to different assumptions, some authors deem simply that the temperature varies adiabatically during the collapsing phase, without considering the reactions heat of the studied mechanism. This paper aims to evaluate the pertinence of neglecting reactions heats in the thermal balance, by analyzing their effect on the variation of radius, temperature, pressure and chemical species amounts. The results show that the introduction of reactions heats conducts to a decrease of the temperature, an increase of the pressure and a reduction of the bubble volume. As a consequence, this leads to a drop of the quantities of free radicals produced by the chemical mechanism evolving within the bubble. This paper also proved that the impact of the consideration of reactions heats is dependent of the frequency and the acoustic amplitude of the ultrasonic wave. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Comparative X-ray photoelectron spectroscopy study of plasma enhanced chemical vapor deposition and micro pressure chemical vapor deposition of phosphorus silicate glass layers after rapid thermal annealing

    International Nuclear Information System (INIS)

    Beshkov, G.; Krastev, V.; Gogova, D.; Talik, E.; Adamies, M.

    2008-01-01

    In this paper the bonding state of Phosphorus Silicate Glass (PSG) layers obtained by two different technological approaches, i.e. in two types of reactors: Plasma Enhanced Chemical Vapor Deposition (PECVD) and Micro Pressure Chemical Vapor Deposition (MPCVD) are investigated employing XPS and AES. The PSG layers are deposited at 380 0 C and 420 0 C in corresponding reactors. XPS and AES analyses show that Si2p peak recorded from PECVD layers are not as expected at their position characteristics of silicon dioxide but instead they are at the characteristic of elemental silicon. Plasma enhancement during deposition leads to less oxidized and more inhomogeneous layer. After rapid thermal annealing the Si2p peak is situated at position characteristic of silicon dioxide. (authors)

  6. Elevated blood pressure in offspring of rats exposed to diverse chemicals during pregnancy

    Science.gov (United States)

    Adverse intrauterine environments are associated with increased risk of later disease, including cardiovascular disease and hypertension. As a potential bioindicator of such an adverse environment, we measured blood pressure (BP), renal nephron endowment, renal glucocorticoid rec...

  7. In-situ epitaxial growth of heavily phosphorus doped SiGe by low pressure chemical vapor deposition

    CERN Document Server

    Lee, C J

    1998-01-01

    We have studied epitaxial crystal growth of Si sub 1 sub - sub x Ge sub x films on silicon substrates at 550 .deg. C by low pressure chemical vapor deposition. In a low PH sub 3 partial pressure region such as below 1.25x10 sup - sup 3 Pa, both the phosphorus and carrier concentrations increased with increasing PH sub 3 partial pressure, but the deposition rate and the Ge fraction remained constant. In a higher PH sub 3 partial pressure region, the deposition rate, the phosphorus concentration, and the carrier concentration decreased, while the Ge fraction increased. These suggest that high surface coverage of phosphorus suppresses both SiH sub 4 and GeH sub 4 adsorption/reactions on the surfaces, and its suppression effect on SiH sub 4 is actually much stronger than on GeH sub 4. In particular, epitaxial crystal growth is largely controlled by surface coverage effect of phosphorus in a higher PH sub 3 partial pressure region.

  8. Dew point, internal gas pressure, and chemical composition of the gas within the free volume of DWPF canistered waste forms

    International Nuclear Information System (INIS)

    Harbour, J.R.; Herman, D.T.; Crump, S.; Miller, T.J.; McIntosh, J.

    1996-01-01

    The Defense Waste Processing Facility (DWPF) produced 55 canistered waste forms containing simulated waste glass during the four Waste Qualification campaigns of the DWPF Startup Test Program. Testing of the gas within the free volume of these canisters for dew point, internal gas pressure, and chemical composition was performed as part of a continuing effort to demonstrate compliance with the Waste Acceptance Product Specifications. Results are presented for six glass-filled canisters. The dew points within the canisters met the acceptance criterion of < 20 degrees C for all six canisters. Factors influencing the magnitude of the dew point are presented. The chemical composition of the free volume gas was indistinguishable from air for all six canisters. Hence, no foreign materials were present in the gas phase of these canisters. The internal gas pressures within the sealed canisters were < 1 atm at 25 degrees C for all six canisters which readily met the acceptance criterion of an internal gas pressure of less than 1.5 atm at 25 degrees C. These results provided the evidence required to demonstrate compliance with the Waste Acceptance Product Specifications

  9. Sensitive and comprehensive detection of chemical warfare agents in air by atmospheric pressure chemical ionization ion trap tandem mass spectrometry with counterflow introduction.

    Science.gov (United States)

    Seto, Yasuo; Sekiguchi, Hiroshi; Maruko, Hisashi; Yamashiro, Shigeharu; Sano, Yasuhiro; Takayama, Yasuo; Sekioka, Ryoji; Yamaguchi, Shintaro; Kishi, Shintaro; Satoh, Takafumi; Sekiguchi, Hiroyuki; Iura, Kazumitsu; Nagashima, Hisayuki; Nagoya, Tomoki; Tsuge, Kouichiro; Ohsawa, Isaac; Okumura, Akihiko; Takada, Yasuaki; Ezawa, Naoya; Watanabe, Susumu; Hashimoto, Hiroaki

    2014-05-06

    A highly sensitive and specific real-time field-deployable detection technology, based on counterflow air introduction atmospheric pressure chemical ionization, has been developed for a wide range of chemical warfare agents (CWAs) comprising gaseous (two blood agents, three choking agents), volatile (six nerve gases and one precursor agent, five blister agents), and nonvolatile (three lachrymators, three vomiting agents) agents in air. The approach can afford effective chemical ionization, in both positive and negative ion modes, for ion trap multiple-stage mass spectrometry (MS(n)). The volatile and nonvolatile CWAs tested provided characteristic ions, which were fragmented into MS(3) product ions in positive and negative ion modes. Portions of the fragment ions were assigned by laboratory hybrid mass spectrometry (MS) composed of linear ion trap and high-resolution mass spectrometers. Gaseous agents were detected by MS or MS(2) in negative ion mode. The limits of detection for a 1 s measurement were typically at or below the microgram per cubic meter level except for chloropicrin (submilligram per cubic meter). Matrix effects by gasoline vapor resulted in minimal false-positive signals for all the CWAs and some signal suppression in the case of mustard gas. The moisture level did influence the measurement of the CWAs.

  10. Photo- and radiation chemical cycloaddition of maleic acid derivatives to ethylene and acetylene under elavated pressure

    International Nuclear Information System (INIS)

    Mirbach, M.

    1975-01-01

    Based on spectroscopic and kinetic measurements the influence of high pressure on some selected photochemical cycloaddition-reactions is studied. The photo-cycloaddition-reaction of maleic acid anhydride with ethylen has been performed under high ethylen pressures ( 90%). Surprisingly the quantum yield of the cyclo aduct decreases with increasing ethylene pressure from PHI = 0.06 at p = 1 bar to PHI = 0.022 at p = 42 bar. Based on Stern-Volmer quenching experiments, the decrease in ring formation with increasing ethylene concentrations could be explained by an endoergic triplet energy transfer from maleic acid anhydride to ethylene. The type II dissociation of butyrophenone has been quenched also with ethylene. With a lifetime for the first excited butyrophenone triplett state of tau = 6.8 x 10 -8 sec, obtained from kinetic data, the velocity constant can be calculated for this reaction with the result k 5 = 3 x 10 6 M -1 sec -1 . (orig./HK) [de

  11. Physico-chemical characteristics of high performance polymer modified by low and atmospheric pressure plasma

    International Nuclear Information System (INIS)

    Bhatnagar, Nitu; Sangeeta, Jha; Bhowmik, Shantanu; Gupta, Govind; Moon, J.B.; Kim, C.G.

    2012-01-01

    In this work, the effect of low pressure plasma and atmospheric p ressure plasma treatment on surface properties and adhesion characteristics of high performance polymer, Polyether Ether Ketone (PEEK) are investigated in terms of Fourier Transform Infrared Spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and Atomic Force Microscopy (AFM). The experimental results show that the PEEK surface treated by atmospheric pressure plasma lead to an increase in the polar component of the surface energy, resulting in improving the adhesion characteristics of the PEEK/Epoxy adhesive system. Also, the roughness of the treated surfaces is largely increased as confirmed by AFM observation. These results can be explained by the fact that the atmospheric pressure plasma treatment of PEEK surface yields several oxygen functionalities on hydrophobic surface, which play an important role in increasing the surface polarity, wettability, and the adhesion characteristics of the PEEK/Epoxy adhesive system. (authors)

  12. Rates of chemical reaction and atmospheric heating during core debris expulsion from a pressurized vessel

    International Nuclear Information System (INIS)

    Powers, D.A.; Tarbell, W.W.; Brockman, J.E.; Pilch, M.

    1986-01-01

    Core debris may be expelled from a pressurized reactor vessel during a severe nuclear reactor accident. Experimental studies of core debris expulsion from pressurized vessels have established that the expelled material can be lofted into the atmosphere of the reactor containment as particulate 0.4 to 2 mm in diameter. These particles will vigorously react with steam and oxygen in the containment atmosphere. Data on such reactions during tests with 80 kg of expelled melt will be reported. A model of the reaction rates based on gas phase mass transport will be described and shown to account for atmospheric heating and aerosol generation observed in the tests

  13. Experience with dilute chemical decontamination in Indian Pressurized Heavy Water Reactors

    International Nuclear Information System (INIS)

    Velmurugan, S.; Rufus, A.L.; Sathyaseelan, V.S.; Subramanian, Veena; Mittal, V.K.; Narasimhan, S.V.

    2010-01-01

    Dilute Chemical Decontamination (DCD) process has been used in several full system and components of nuclear coolant systems to effectively remove the radioactive contaminants that causes radiation field and consequent MANREM problem. The DCD process uses chemicals in very low concentrations (millimolar) and dissolves the oxide film along with the activity incorporated in the oxide film. In DCD process operated under the regenerative mode, the chemical formulation spent in the process of oxide dissolution is replenished by passing through cation exchange columns. Finally, after achieving sufficient decontamination of the system/component, the added decontamination chemicals along with the activities and metal ions released during the process are removed by mixed bed ion exchange columns and the system is restored to normal operating condition in few days time. In PHWRs, the regenerative DCD process is applied for full primary coolant system decontamination. The chemicals are added directly to the heavy water coolant with the fuel in the core. In Indian PHWRs (MAPS-1 and 2, RAPS-1 and 2, NAPS-1 and 2 and KAPS-1), the process has been applied eleven times. A chemical formulation based on NTA, Citric acid and Ascorbic acid has been applied seven times with good results. Decontamination factors in the range 2-30 have been obtained in different components with good MANREM savings in the subsequent maintenance works. Efforts are on to modify the process to take care of the challenges posed by antimony isotope. An inhibitor (Rodine-92B) based process was successfully tested in NAPS-2 for removing antimony isotopes ( 122 Sb and 124 Sb). Further refining of the antimony removal process is being worked out. Similarly, the process is being modified to effectively remove the hotspot causing stellite particles in the moderator system of PHWRs. A permanganate based process has been developed and tested in several adjustor rod drive mechanisms in KAPS and NAPS. The experience of

  14. Evaluation of corrosion behaviour of tantalum coating obtained by low pressure chemical vapor deposition using electrochemical polarization

    Science.gov (United States)

    Levesque, A.; Bouteville, A.; de Baynast, H.; Laveissière, B.

    2002-06-01

    antalum coatings are elaborated on titanium substrates through Low Pressure Chemical Vapor Deposition from tantalum pentachloride-hydrogen gaseous phase at a deposition temperature of 800 °C and a total pressure of 3.3 mbar. The aim of this paper is to evaluate the effectiveness of this tantalum coating in corrosive solution. Optical Microscopy and Scanning Electron Microscopy observations reveal that deposits are of 1.7 μm in thickness and conformal. The corrosion resistance of tantalum coated titanium substrates is quantified through standard potentiodynamic polarization method. Even for tantalum coatings exhibiting some defects as pores, the corrosion current density is as low as 0.25 mA/cm^2.in very agressive solutions like kroll reagent (HN03/HF).

  15. Understanding chemical-potential-related transient pore-pressure response to improve real-time borehole (in)stability predictions

    Energy Technology Data Exchange (ETDEWEB)

    Tare, U.A.; Mody, F.K.; Mese, A.I. [Halliburton Energy Services, Cairo (Egypt)

    2000-11-01

    Experimental studies were conducted to explain the concept of a real-time wellbore (in)stability logging methodology. The role of the chemical potential of drilling fluids on transient pore pressure and time-dependent rock property alterations of shale formations was examined by providing details about a pore pressure transmission (PPT) test. The PPT experiments exposed formation (shale) cores under simulated downhole conditions to various salt solutions and drilling fluids. The main objective was to translate the results of the PPT tests to actual drilling conditions. A 20 per cent w/w calcium chloride solution was exposed to a Pierre II shale under high pressure in the PPT apparatus. The PPT test was used to estimate the impact of a drilling fluid on shale pore pressure. The efficiency of the salt solution/shale system was also estimated. Estimates of the dynamic rock properties were made based on the obtained acoustic data. It was determined that in order to accurately model time-dependent wellbore (in)stability in the field, it is important to calibrate representative shale core response to drilling fluids under realistic in-situ conditions. The 20 per cent w/w calcium chloride solution showed very low membrane efficiency of 4.45 per cent. It was concluded that changes in the shale dynamic rock properties as a function of test fluid exposure can be obtained from the simultaneous acquisition of sonic compression and shear wave velocity data. 12 refs., 5 figs.

  16. Chemical methods for the use of niobium from pressure vessel cladding as a fast neutron dosimeter

    International Nuclear Information System (INIS)

    Karnani, Hari

    1986-08-01

    the steel samples from the cladding of a pressure vessel of an operating nuclear power reactor were obtained by scraping. The cladding material of the pressure vessel contained about 0.5 % niobium. It was desired to use the niobium as a dosimeter for estimating fast fluences at the pressure vessel. The weak radiation from the reaction product 93m Nb cannot be measured in the presence of other elements and interfering activities. A method was developed to separate niobium from other metals present; the concentration and yield of niobium were determined spectrophotometrically. The irradiated niobium was electrodeposited from aqueous solutions on copper discs. The amount of the deposited niobium was determined by a radiochemical method which makes use of its own radioactivity - measured with a liquid scintillation counter - and the known starting mass of niobium. It was possible to determine the deposited niobium masses (5 to 200 microgram) with a desired degree of accuracy. The absolute emission rate of X-rays could then be measured without any self-absorption or interference from other activities. The mass of niobium on each preparate and its X-ray emission rate, later on, were used as basic experimental data for the estimation of last neutron doses at the pressure vessel

  17. Capabilities for measuring physical and chemical properties of rocks at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Durham, W.B. (comp.)

    1990-01-01

    The Experimental Geophysics Group of the Earth Sciences Department at Lawrence Livermore National Laboratory (LLNL) has experimental equipment that measures a variety of physical properties and phase equilibria and kinetics on rocks and minerals at extreme pressures (to 500 GPa) and temperatures (from 10 to 2800 K). These experimental capabilities are described in this report in terms of published results, photographs, and schematic diagrams.

  18. Oxygen source-oriented control of atmospheric pressure chemical vapor deposition of VO2 for capacitive applications

    Directory of Open Access Journals (Sweden)

    Dimitra Vernardou

    2016-06-01

    Full Text Available Vanadium dioxides of different crystalline orientation planes have successfully been fabricated by chemical vapor deposition at atmospheric pressure using propanol, ethanol and O2 gas as oxygen sources. The thick a-axis textured monoclinic vanadium dioxide obtained through propanol presented the best electrochemical response in terms of the highest specific discharge capacity of 459 mAh g-1 with a capacitance retention of 97 % after 1000 scans under constant specific current of 2 A g-1. Finally, the electrochemical impedance spectroscopy indicated that the charge transfer of Li+ through the vanadium dioxide / electrolyte interface was easier for this sample enhancing significantly its capacitance performance.

  19. Atmospheric pressure chemical vapour deposition of the nitrides and oxynitrides of vanadium, titanium and chromium

    International Nuclear Information System (INIS)

    Elwin, G.S.

    1999-01-01

    A study has been made into the atmospheric pressure chemical vapour deposition of nitrides and oxynitrides of vanadium, titanium and chromium. Vanadium tetrachloride, vanadium oxychloride, chromyl chloride and titanium tetrachloride have been used as precursors with ammonia, at different flow conditions and temperatures. Vanadium nitride, vanadium oxynitride, chromium oxynitride, titanium/vanadium nitride and titanium/chromium oxynitride have been deposited as thin films on glass. The APCVD reaction of VCl 4 and ammonia leads to films with general composition VN x O y . By raising the ammonia concentration so that it is in excess (0.42 dm 3 min -1 VCl 4 with 1.0 dm 3 min -1 NH 3 at 500 deg. C) a film has been deposited with the composition VN 0.8 O 0.2 . Further investigation discovered similar elemental compositions could be reached by deposition at 350 deg. C (0.42 dm 3 min -1 VCl 4 with 0.5 dm 3 min -1 NH 3 ), followed by annealing at 650 deg. C, and cooled under a flow of ammonia. Only films formed below 400 deg. C were found to contain carbon or chlorine ( 3 and ammonia also lead to films of composition VN x O y the oxygen to nitrogen ratios depending on the deposition conditions. The reaction Of VOCl 3 (0.42 dm 3 min -1 ) and ammonia (0.2 dm 3 min -1 ) at 500 deg. C lead to a film of composition VN 0. 47O 1.06 . The reaction of VOCl 3 (0.42 dm 3 min -1 ) and ammonia (0.5 dm 3 min -1 ) at 650 deg. C lead to a film of composition VN 0.63 O 0.41 . The reaction of chromyl chloride with excess ammonia led to the formation of chromium oxide (Cr 2 O 3 ) films. Mixed metal films were prepared from the reactions of vanadium tetrachloride, titanium tetrachloride and ammonia to prepare V x Ti y N z and chromyl chloride, titanium tetrachloride and ammonia to form TiCr x O y N z . Both reactions produced the intended mixed coating but it was found that the vanadium / titanium nitride contained around 10 % vanadium whatever the conditions used. Oxygen contamination

  20. Under pressure: evolutionary engineering of yeast strains for improved performance in fuels and chemicals production

    NARCIS (Netherlands)

    Mans, R.; Daran, J.G.; Pronk, J.T.

    2018-01-01

    Evolutionary engineering, which uses laboratory evolution to select for industrially relevant traits, is a popular strategy in the development of high-performing yeast strains for industrial production of fuels and chemicals. By integrating whole-genome sequencing, bioinformatics, classical

  1. Chemical equilibrium calculations for the high pressure and temperature dissociation of liquid nitrogen

    Energy Technology Data Exchange (ETDEWEB)

    Hamilton, D.C.; Ree, F.H.

    1987-07-01

    Calculations are reported for the equation-of-state properties of shock-compressed liquid nitrogen. The statistical mechanical, chemical equilibrium calculations, which allow for the simultaneous presence of both the diatomic and monatomic forms of nitrogen, show good agreement with recent dynamic experiments.

  2. Chemical equilibrium calculations for the high pressure and temperature dissociation of liquid nitrogen

    International Nuclear Information System (INIS)

    Hamilton, D.C.; Ree, F.H.

    1987-07-01

    Calculations are reported for the equation-of-state properties of shock-compressed liquid nitrogen. The statistical mechanical, chemical equilibrium calculations, which allow for the simultaneous presence of both the diatomic and monatomic forms of nitrogen, show good agreement with recent dynamic experiments

  3. Influence of magnetic field, chemical pressure and hydrostatic pressure on the structural and magnetocaloric properties of the Mn-Ni-Ge system

    Science.gov (United States)

    Taubel, Andreas; Gottschall, Tino; Fries, Maximilian; Faske, Tom; Skokov, Konstantin P.; Gutfleisch, Oliver

    2017-11-01

    The magnetic, structural and thermomagnetic properties of the MM’X material system of MnNiGe are evaluated with respect to their utilization in magnetocaloric refrigeration. The effects of separate and simultaneous substitution of Fe for Mn and Si on the Ge site are analysed in detail to highlight the benefits of the isostructural alloying method. A large range of compounds with precisely tunable structural and magnetic properties and the tuning of the phase transition by chemical pressure are compared to the effect of hydrostatic pressure on the martensitic transition. We obtained very large isothermal entropy changes Δ S_iso of up to -37.8 J kg-1 K-1 based on magnetic measurements for (Mn,Fe)NiGe in moderate fields of 2 T. The enhanced magnetocaloric properties for transitions around room temperature are demonstrated for samples with reduced Ge, a resource critical element. An adiabatic temperature change of 1.3 K in a magnetic field change of 1.93 T is observed upon direct measurement for a sample with Fe and Si substitution. However, the high volume change of 2.8% results in an embrittlement of large particles into several smaller fragments and leads to a sensitivity of the magnetocaloric properties towards sample shape and size. On the other hand, this large volume change enables to induce the phase transition with a large shift of the transition temperature by application of hydrostatic pressure (72 K GPa-1 ). Thus, the effect of 1.88 GPa is equivalent to a substitution of 10% Fe for Mn and can act as an additional stimulus to induce the phase transition and support the low magnetic field dependence of the phase transition temperature for multicaloric applications.

  4. Optimization of carbon nanotube powder growth using low pressure floating catalytic chemical vapor deposition

    International Nuclear Information System (INIS)

    Chen, Y.; Sun, Z.; Li, Y.N.; Tay, B.K.

    2006-01-01

    A new approach to synthesize carbon nanotube (CNT) powders has been achieved by using the floating catalyst method below atmospheric pressure. Scanning electron microscopy, Raman spectroscopy and high-resolution transmission electron microscopy were utilized to characterize the CNTs samples. Using ferrocene (FeC 10 H 10 ) as catalyst precursor, cyclohexane (C 6 H 12 ) as carbon source, H 2 as carrier gas and thiophene (C 4 H 4 S) as promoter, it is found that the pressure of 15 kPa, temperature of 650 deg. C and H 2 flow rate of 60 sccm would be the optimization condition for synthesis of high quality CNTs. This method is economical and easily scalable for synthesis of CNTs

  5. Trials on some synthesis related to chemical evolution under high pressure and gamma irradiation

    International Nuclear Information System (INIS)

    Inaki, Yoshiaki; Okada, Toshimi; Takahara, Toru; Takemoto, Kiichi

    1978-01-01

    The radiation-induced reaction of mono- and dicarboxylic acids with urea was studied both in bulk and in methanol solution. A series of mono- and dicarboxylic acids and acid amides as well as urea were obtained commercially, and purified in the usual manner. Radiation-induced reaction was carried out in test tubes at room temperature by irradiating with the γ-ray from a Co-60 source. Acrylic acid and urea were mixed at first in a test tube, and melted by heating. After the irradiation, water insoluble polymer was obtained. The polymer may have partly crosslinked nature. In case of the reaction of acrylic acid and acrylamide with urea, it was found that polymers were the main products. The reaction of malic acid with formamide was also studied under high pressure. It was found that the reaction afforded both fumaric and malic acid under atmospheric pressure, and the reaction seems to be somewhat different under high pressure. From the results, it is suggested that adenine and its relevant compounds could only be produced by the reactions of malic and maleic acid with urea, and not with formamide in the presence of polyphosphoric acid. (Kato, T.)

  6. Atmospheric pressure chemical vapor deposition (APCVD) grown bi-layer graphene transistor characteristics at high temperature

    KAUST Repository

    Qaisi, Ramy M.

    2014-05-15

    We report the characteristics of atmospheric chemical vapor deposition grown bilayer graphene transistors fabricated on ultra-scaled (10 nm) high-κ dielectric aluminum oxide (Al2O3) at elevated temperatures. We observed that the drive current increased by >400% as temperature increased from room temperature to 250 °C. Low gate leakage was maintained for prolonged exposure at 100 °C but increased significantly at temperatures >200 °C. These results provide important insights for considering chemical vapor deposition graphene on aluminum oxide for high temperature applications where low power and high frequency operation are required. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Atmospheric pressure chemical vapor deposition (APCVD) grown bi-layer graphene transistor characteristics at high temperature

    KAUST Repository

    Qaisi, Ramy M.; Smith, Casey; Hussain, Muhammad Mustafa

    2014-01-01

    We report the characteristics of atmospheric chemical vapor deposition grown bilayer graphene transistors fabricated on ultra-scaled (10 nm) high-κ dielectric aluminum oxide (Al2O3) at elevated temperatures. We observed that the drive current increased by >400% as temperature increased from room temperature to 250 °C. Low gate leakage was maintained for prolonged exposure at 100 °C but increased significantly at temperatures >200 °C. These results provide important insights for considering chemical vapor deposition graphene on aluminum oxide for high temperature applications where low power and high frequency operation are required. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Optimization of solar cell performance using atmospheric pressure chemical vapour deposition deposited TCOs

    Czech Academy of Sciences Publication Activity Database

    Yates, H.M.; Evans, P.; Sheel, D.W.; Hodgkinson, J.L.; Sheel, P.; Dagkaldiran, U.; Gordijn, A.; Finger, F.; Remeš, Zdeněk; Vaněček, Milan

    2009-01-01

    Roč. 25, č. 8 (2009), s. 789-796 ISSN 1938-5862. [International Chemical Vapor Deposition Symposium (CVD-XVII) /17./. Wien, 04.10.2009-09.10.2009] Grant - others:European Community(XE) Project (STREP) of the 6. FP Institutional research plan: CEZ:AV0Z10100521 Keywords : solar cells * TCO * CVD Subject RIV: BM - Solid Matter Physics ; Magnetism

  9. Cr2O3 thin films grown at room temperature by low pressure laser chemical vapour deposition

    International Nuclear Information System (INIS)

    Sousa, P.M.; Silvestre, A.J.; Conde, O.

    2011-01-01

    Chromia (Cr 2 O 3 ) has been extensively explored for the purpose of developing widespread industrial applications, owing to the convergence of a variety of mechanical, physical and chemical properties in one single oxide material. Various methods have been used for large area synthesis of Cr 2 O 3 films. However, for selective area growth and growth on thermally sensitive materials, laser-assisted chemical vapour deposition (LCVD) can be applied advantageously. Here we report on the growth of single layers of pure Cr 2 O 3 onto sapphire substrates at room temperature by low pressure photolytic LCVD, using UV laser radiation and Cr(CO) 6 as chromium precursor. The feasibility of the LCVD technique to access selective area deposition of chromia thin films is demonstrated. Best results were obtained for a laser fluence of 120 mJ cm -2 and a partial pressure ratio of O 2 to Cr(CO) 6 of 1.0. Samples grown with these experimental parameters are polycrystalline and their microstructure is characterised by a high density of particles whose size follows a lognormal distribution. Deposition rates of 0.1 nm s -1 and mean particle sizes of 1.85 μm were measured for these films.

  10. Reduced Pressure-Chemical Vapour Deposition of Si/SiGe heterostructures for nanoelectronics

    International Nuclear Information System (INIS)

    Hartmann, J.M.; Andrieu, F.; Lafond, D.; Ernst, T.; Bogumilowicz, Y.; Delaye, V.; Weber, O.; Rouchon, D.; Papon, A.M.; Cherkashin, N.

    2008-01-01

    We have first of all quantified the impact of pressure on Si and SiGe growth kinetics. Definite growth rate and Ge concentration increases with the pressure have been evidenced at low temperatures (650-750 deg. C). By contrast, the high temperature (950-1050 deg. C) Si growth rate either increases or decreases with pressure (gaseous precursor depending). We have then described the selective epitaxial growth process we use to form Si or Si 0.7 Ge 0.3 :B raised sources and drains on ultra-thin patterned Silicon-On-Insulator (SOI) substrates. We have afterwards presented the specifics of SiGe virtual substrates and of the tensile-strained Si layers grown on top (used as templates for the elaboration of tensily strained-SOI wafers). The tensile strain, which can be tailored from 1.3 up to 3 GPa, leads to an electron mobility gain by a factor of 2 in n-Metal Oxide Semiconductor Field Effect Transistors (MOSFETs) built on top. High Ge content SiGe virtual substrates can also be used for the elaboration of compressively strained Ge channels, with impressive hole mobility gains (x9) compared to bulk Si. After that, we have described the main structural features of thick Ge layers grown directly on Si (that can be used as donor wafers for the elaboration of GeOI wafers or as the active medium of near infrared photo-detectors). Finally, we have shown how Si/SiGe multilayers can be used for the formation of high performance 3D devices such as multi-bridge channel or nano-beam gate-all-around FETs, the SiGe sacrificial layers being removed thanks to plasma dry etching, wet etching or in situ gaseous HCl etching

  11. High Temperature and Pressure Alkaline Electrochemical Reactor for Conversion of Power to Chemicals

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos

    2016-01-01

    forces. Raising the operating temperature offers a means to boost performance, as both ionic transport and reaction kinetics are exponentially activated with temperature. Indeed, we have demonstrated alkaline electrolysis cells operating at 200-250 °C and 20-50 bar at very high efficiencies and power...... been established enabling experiments with gaseous or liquids reactants/products at cell sizes of up to 25 cm2. Efforts are currently directed towards the investigation of the intrinsic activity of mixed oxides for the oxygen evolution reaction at elevated temperatures and pressures...

  12. Surface chemical structure of poly(ethylene naphthalate) films during degradation in low-pressure high-frequency plasma treatments

    Science.gov (United States)

    Kamata, Noritsugu; Yuji, Toshifumi; Thungsuk, Nuttee; Arunrungrusmi, Somchai; Chansri, Pakpoom; Kinoshita, Hiroyuki; Mungkung, Narong

    2018-06-01

    The surface chemical structure of poly(ethylene naphthalate) (PEN) films treated with a low-pressure, high-frequency plasma was investigated by storing in a box at room temperature to protect the PEN film surface from dust. The functional groups on the PEN film surface changed over time. The functional groups of –C=O, –COH, and –COOH were abundant in the Ar + O2 mixture gas plasma-treated PEN samples as compared with those in untreated PEN samples. The changes occurred rapidly after 2 d following the plasma treatment, reaching steady states 8 d after the treatment. Hydrophobicity had an inverse relationship with the concentration of these functional groups on the surface. Thus, the effect of the low-pressure high-frequency plasma treatment on PEN varies as a function of storage time. This means that radical oxygen and oxygen molecules are clearly generated in the plasma, and this is one index to confirm that radical reaction has definitely occurred between the gas and the PEN film surface with a low-pressure high-frequency plasma.

  13. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  14. Time variant layer control in atmospheric pressure chemical vapor deposition based growth of graphene

    KAUST Repository

    Qaisi, Ramy M.; Smith, Casey; Hussain, Muhammad Mustafa

    2013-01-01

    Graphene is a semi-metallic, transparent, atomic crystal structure material which is promising for its high mobility, strength and transparency - potentially applicable for radio frequency (RF) circuitry and energy harvesting and storage applications. Uniform (same number of layers), continuous (not torn or discontinuous), large area (100 mm to 200 mm wafer scale), low-cost, reliable growth are the first hand challenges for its commercialization prospect. We show a time variant uniform (layer control) growth of bi- to multi-layer graphene using atmospheric chemical vapor deposition system. We use Raman spectroscopy for physical characterization supported by electrical property analysis. © 2013 IEEE.

  15. Time variant layer control in atmospheric pressure chemical vapor deposition based growth of graphene

    KAUST Repository

    Qaisi, Ramy M.

    2013-04-01

    Graphene is a semi-metallic, transparent, atomic crystal structure material which is promising for its high mobility, strength and transparency - potentially applicable for radio frequency (RF) circuitry and energy harvesting and storage applications. Uniform (same number of layers), continuous (not torn or discontinuous), large area (100 mm to 200 mm wafer scale), low-cost, reliable growth are the first hand challenges for its commercialization prospect. We show a time variant uniform (layer control) growth of bi- to multi-layer graphene using atmospheric chemical vapor deposition system. We use Raman spectroscopy for physical characterization supported by electrical property analysis. © 2013 IEEE.

  16. In place chemical cleaning of Will County Unit 4 high pressure turbine for efficiency recovery

    International Nuclear Information System (INIS)

    Cloffi, S.J.

    1989-01-01

    Due to the proliferation of nuclear units and the economic penalties associated with nuclear unit's following load, the fossil industry has had to switch gears in their mode of operation. A fossil unit must be able to cycle on and off if it is to remain useful to system power supply. Furthermore, a fossil unit is indispensable if it can go to a low load at night and ramp up during the day to meet load demand. Despite the cautions, warnings, and lack of information from turbine and boiler manufactures, Will County Unit 4 achieved such minimum load operation in November 1987. Within the year, Unit 4 experienced numerous cycle chemistry upsets and a steady decline in turbine capability. In depth turbine testing coupled with the chemistry characteristics reveal the cause to be copper deposits on the second and third stages of the high pressure turbine. This paper details the investigation, remedial action, and possible solutions to this turbine capability problem

  17. Physico-chemical characterization antituberculosis thioacetazone: Vapor pressure, solubility and lipophilicity

    International Nuclear Information System (INIS)

    Sharapova, Angelica; Ol'khovich, Marina; Blokhina, Svetlana; Perlovich, German

    2017-01-01

    Highlights: • Vapor pressures of antituberculosis thioacetazone were determined by transpiration method. • Solubilities of the TAZ in four modeling solvents were measured at different temperatures. • Temperature dependence of octanol/buffer pH 7.4 partition coefficients was obtained. • Thermodynamics parameters of solubility, sublimation, solvation and transfer were calculated. - Abstract: Vapor pressure of thioacetazone (TAZ) has been determined in the temperature range of 404.15–429.15 K by the transpiration method. The obtained data were used to calculate the standard molar enthalpy of sublimation that was found to be 164.1 kJ/mol at T = 298.15 K. The drug solubility was measured at seven temperatures from 288.15 to 318.15 K in modeling solvents: octanol, hexane and aqueous buffers pH 2.0 and 7.4 by the saturation shake-flask method by using spectrophotometric analysis. It has been found that TAZ has poor solubility in hexane and buffer solutions and limited solubility in octanol. The experimental data were well correlated by van’t Hoff and modified Apelblat equations. A temperature dependence of TAZ partition coefficient in the octanol/buffer pH 7.4 system has been derived. The partition coefficient value in this system (logP = 1.82) refers to the optimal interval for oral absorption drugs. The thermodynamic parameters of sublimation, solubility, solvation and transfer have been determined based on experimental data. The dominant effect of enthalpy and entropy contributions to the Gibbs energy of the investigated processes has been revealed.

  18. Under pressure: evolutionary engineering of yeast strains for improved performance in fuels and chemicals production.

    Science.gov (United States)

    Mans, Robert; Daran, Jean-Marc G; Pronk, Jack T

    2018-04-01

    Evolutionary engineering, which uses laboratory evolution to select for industrially relevant traits, is a popular strategy in the development of high-performing yeast strains for industrial production of fuels and chemicals. By integrating whole-genome sequencing, bioinformatics, classical genetics and genome-editing techniques, evolutionary engineering has also become a powerful approach for identification and reverse engineering of molecular mechanisms that underlie industrially relevant traits. New techniques enable acceleration of in vivo mutation rates, both across yeast genomes and at specific loci. Recent studies indicate that phenotypic trade-offs, which are often observed after evolution under constant conditions, can be mitigated by using dynamic cultivation regimes. Advances in research on synthetic regulatory circuits offer exciting possibilities to extend the applicability of evolutionary engineering to products of yeasts whose synthesis requires a net input of cellular energy. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  19. Atmospheric Pressure Chemical Ionization Sources Used in The Detection of Explosives by Ion Mobility Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Waltman, Melanie J. [New Mexico Inst. of Mining and Technology, Socorro, NM (United States)

    2010-05-01

    Explosives detection is a necessary and wide spread field of research. From large shipping containers to airline luggage, numerous items are tested for explosives every day. In the area of trace explosives detection, ion mobility spectrometry (IMS) is the technique employed most often because it is a quick, simple, and accurate way to test many items in a short amount of time. Detection by IMS is based on the difference in drift times of product ions through the drift region of an IMS instrument. The product ions are created when the explosive compounds, introduced to the instrument, are chemically ionized through interactions with the reactant ions. The identity of the reactant ions determines the outcomes of the ionization process. This research investigated the reactant ions created by various ionization sources and looked into ways to manipulate the chemistry occurring in the sources.

  20. Conversion of carbon dioxide to value-added chemicals in atmospheric pressure dielectric barrier discharges

    International Nuclear Information System (INIS)

    Paulussen, Sabine; Verheyde, Bert; Tu Xin; Sels, Bert; De Bie, Christophe; Martens, Tom; Petrovic, Dragana; Bogaerts, Annemie

    2010-01-01

    The aim of this work consists of the evaluation of atmospheric pressure dielectric barrier discharges for the conversion of greenhouse gases into useful compounds. Therefore, pure CO 2 feed flows are administered to the discharge zone at varying discharge frequency, power input, gas temperature and feed flow rates, aiming at the formation of CO and O 2 . The discharge obtained in CO 2 is characterized as a filamentary mode with a microdischarge zone in each half cycle of the applied voltage. It is shown that the most important parameter affecting the CO 2 -conversion levels is the gas flow rate. At low flow rates, both the conversion and the CO-yield are significantly higher. In addition, also an increase in the gas temperature and the power input give rise to higher conversion levels, although the effect on the CO-yield is limited. The optimum discharge frequency depends on the power input level and it cannot be unambiguously stated that higher frequencies give rise to increased conversion levels. A maximum CO 2 conversion of 30% is achieved at a flow rate of 0.05 L min -1 , a power density of 14.75 W cm -3 and a frequency of 60 kHz. The most energy efficient conversions are achieved at a flow rate of 0.2 L min -1 , a power density of 11 W cm -3 and a discharge frequency of 30 kHz.

  1. On the Origin of Light Emission in Silicon Rich Oxide Obtained by Low-Pressure Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    M. Aceves-Mijares

    2012-01-01

    Full Text Available Silicon Rich Oxide (SRO has been considered as a material to overcome the drawbacks of silicon to achieve optical functions. Various techniques can be used to produce it, including Low-Pressure Chemical Vapor Deposition (LPCVD. In this paper, a brief description of the studies carried out and discussions of the results obtained on electro-, cathode-, and photoluminescence properties of SRO prepared by LPCVD and annealed at 1,100°C are presented. The experimental results lead us to accept that SRO emission properties are due to oxidation state nanoagglomerates rather than to nanocrystals. The emission mechanism is similar to Donor-Acceptor decay in semiconductors, and a wide emission spectrum, from 450 to 850 nm, has been observed. The results show that emission is a function of both silicon excess in the film and excitation energy. As a result different color emissions can be obtained by selecting the suitable excitation energy.

  2. Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study

    KAUST Repository

    Polshettiwar, Vivek

    2012-02-10

    Hydrogenolysis of hydrocarbons is of considerable technological importance for applications such as the hydroprocessing of petrochemical feedstocks to generate high-value and useful chemicals and fuels. We studied the catalytic activity of tantalum hydride supported on MCM-41 for the hydrogenolysis of alkanes at low temperature and low atmospheric pressure in a dynamic reactor. The reactions proceed with good turnover numbers, and the catalyst could be reused for several times, which makes the overall catalytic process sustainable. We derived the plausible mechanism by using DFT calculations and identified the preferred pathways by the analysis of potential energy surface. Our results and the proposed reaction mechanism demonstrate the viability of the "catalyst-by-design" approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study

    KAUST Repository

    Polshettiwar, Vivek; Pasha, Farhan Ahmad; De Mallmann, Aimery; Norsic, Sé bastien; Thivolle-Cazat, Jean; Basset, Jean-Marie

    2012-01-01

    Hydrogenolysis of hydrocarbons is of considerable technological importance for applications such as the hydroprocessing of petrochemical feedstocks to generate high-value and useful chemicals and fuels. We studied the catalytic activity of tantalum hydride supported on MCM-41 for the hydrogenolysis of alkanes at low temperature and low atmospheric pressure in a dynamic reactor. The reactions proceed with good turnover numbers, and the catalyst could be reused for several times, which makes the overall catalytic process sustainable. We derived the plausible mechanism by using DFT calculations and identified the preferred pathways by the analysis of potential energy surface. Our results and the proposed reaction mechanism demonstrate the viability of the "catalyst-by-design" approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents

    Science.gov (United States)

    Jung, Heesoo; Seo, Jin Ah; Choi, Seungki

    2017-01-01

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design—wearable APP (WAPP)—that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully enclosed power electrode and grounded outer electrode. The plasma fabric is flexible and lightweight, and it can be scaled up for larger areas, making it attractive for wearable APP applications. Here, we report the various plasma properties of the WAPP device and successful test results showing the decontamination of toxic chemical warfare agents, namely, mustard (HD), soman (GD), and nerve (VX) agents.

  5. Topographic, optical and chemical properties of zinc particle coatings deposited by means of atmospheric pressure plasma

    International Nuclear Information System (INIS)

    Wallenhorst, L.M.; Loewenthal, L.; Avramidis, G.; Gerhard, C.; Militz, H.; Ohms, G.; Viöl, W.

    2017-01-01

    Highlights: • Zn/ZnO mixed systems were deposited from elemental zinc by a cold plasma-spray process. • Oxidation was confirmed by XPS. • The coatings exhibited a strong absorption in the UV spectral range, thus being suitable as protective layers, e.g. on thermosensitive materials. - Abstract: In this research, topographic, optical and chemical properties of zinc oxide layers deposited by a cold plasma-spray process were measured. Here, zinc micro particles were fed to the afterglow of a plasma spark discharge whereas the substrates were placed in a quite cold zone of the effluent plasma jet. In this vein, almost closed layers were realised on different samples. As ascertained by laser scanning and atomic force microscopic measurements the particle size of the basic layer is in the nanometre scale. Additionally, larger particles and agglomerates were found on its top. The results indicate a partial plasma-induced diminishment of the initial particles, most probably due to melting or vaporisation. It is further shown that the plasma gives rise to an increased oxidation of such particles as confirmed by X-ray photoelectron spectroscopy. Quantitative analysis of the resulting mixed layer was performed. It is shown that the deposited layers consist of zinc oxide and elemental zinc in approximately equal shares. In addition, the layer's band gap energy was determined by spectroscopic analysis. Here, considerable UV blocking properties of the deposited layers were observed. Possible underlying effects as well as potential applications are presented.

  6. Topographic, optical and chemical properties of zinc particle coatings deposited by means of atmospheric pressure plasma

    Energy Technology Data Exchange (ETDEWEB)

    Wallenhorst, L.M., E-mail: lena.wallenhorst@hawk-hhg.de [University of Applied Sciences and Arts, Laboratory of Laser and Plasma Technologies, Von-Ossietzky-Str. 99, 37085 Göttingen (Germany); Loewenthal, L.; Avramidis, G. [University of Applied Sciences and Arts, Laboratory of Laser and Plasma Technologies, Von-Ossietzky-Str. 99, 37085 Göttingen (Germany); Gerhard, C. [University of Applied Sciences and Arts, Laboratory of Laser and Plasma Technologies, Von-Ossietzky-Str. 99, 37085 Göttingen (Germany); Fraunhofer Institute for Surface Engineering and Thin Films, Application Center for Plasma and Photonics, Von-Ossietzky-Str. 100, 37085 Göttingen (Germany); Militz, H. [Wood Biology and Wood Products, Burckhardt Institute, Georg-August-University Göttingen, Büsgenweg 4, 37077 Göttingen (Germany); Ohms, G. [University of Applied Sciences and Arts, Laboratory of Laser and Plasma Technologies, Von-Ossietzky-Str. 99, 37085 Göttingen (Germany); Viöl, W. [University of Applied Sciences and Arts, Laboratory of Laser and Plasma Technologies, Von-Ossietzky-Str. 99, 37085 Göttingen (Germany); Fraunhofer Institute for Surface Engineering and Thin Films, Application Center for Plasma and Photonics, Von-Ossietzky-Str. 100, 37085 Göttingen (Germany)

    2017-07-15

    Highlights: • Zn/ZnO mixed systems were deposited from elemental zinc by a cold plasma-spray process. • Oxidation was confirmed by XPS. • The coatings exhibited a strong absorption in the UV spectral range, thus being suitable as protective layers, e.g. on thermosensitive materials. - Abstract: In this research, topographic, optical and chemical properties of zinc oxide layers deposited by a cold plasma-spray process were measured. Here, zinc micro particles were fed to the afterglow of a plasma spark discharge whereas the substrates were placed in a quite cold zone of the effluent plasma jet. In this vein, almost closed layers were realised on different samples. As ascertained by laser scanning and atomic force microscopic measurements the particle size of the basic layer is in the nanometre scale. Additionally, larger particles and agglomerates were found on its top. The results indicate a partial plasma-induced diminishment of the initial particles, most probably due to melting or vaporisation. It is further shown that the plasma gives rise to an increased oxidation of such particles as confirmed by X-ray photoelectron spectroscopy. Quantitative analysis of the resulting mixed layer was performed. It is shown that the deposited layers consist of zinc oxide and elemental zinc in approximately equal shares. In addition, the layer's band gap energy was determined by spectroscopic analysis. Here, considerable UV blocking properties of the deposited layers were observed. Possible underlying effects as well as potential applications are presented.

  7. Topographic, optical and chemical properties of zinc particle coatings deposited by means of atmospheric pressure plasma

    Science.gov (United States)

    Wallenhorst, L. M.; Loewenthal, L.; Avramidis, G.; Gerhard, C.; Militz, H.; Ohms, G.; Viöl, W.

    2017-07-01

    In this research, topographic, optical and chemical properties of zinc oxide layers deposited by a cold plasma-spray process were measured. Here, zinc micro particles were fed to the afterglow of a plasma spark discharge whereas the substrates were placed in a quite cold zone of the effluent plasma jet. In this vein, almost closed layers were realised on different samples. As ascertained by laser scanning and atomic force microscopic measurements the particle size of the basic layer is in the nanometre scale. Additionally, larger particles and agglomerates were found on its top. The results indicate a partial plasma-induced diminishment of the initial particles, most probably due to melting or vaporisation. It is further shown that the plasma gives rise to an increased oxidation of such particles as confirmed by X-ray photoelectron spectroscopy. Quantitative analysis of the resulting mixed layer was performed. It is shown that the deposited layers consist of zinc oxide and elemental zinc in approximately equal shares. In addition, the layer's band gap energy was determined by spectroscopic analysis. Here, considerable UV blocking properties of the deposited layers were observed. Possible underlying effects as well as potential applications are presented.

  8. Desorption atmospheric pressure photoionization high-resolution mass spectrometry: a complementary approach for the chemical analysis of atmospheric aerosols.

    Science.gov (United States)

    Parshintsev, Jevgeni; Vaikkinen, Anu; Lipponen, Katriina; Vrkoslav, Vladimir; Cvačka, Josef; Kostiainen, Risto; Kotiaho, Tapio; Hartonen, Kari; Riekkola, Marja-Liisa; Kauppila, Tiina J

    2015-07-15

    On-line chemical characterization methods of atmospheric aerosols are essential to increase our understanding of physicochemical processes in the atmosphere, and to study biosphere-atmosphere interactions. Several techniques, including aerosol mass spectrometry, are nowadays available, but they all suffer from some disadvantages. In this research, desorption atmospheric pressure photoionization high-resolution (Orbitrap) mass spectrometry (DAPPI-HRMS) is introduced as a complementary technique for the fast analysis of aerosol chemical composition without the need for sample preparation. Atmospheric aerosols from city air were collected on a filter, desorbed in a DAPPI source with a hot stream of toluene and nitrogen, and ionized using a vacuum ultraviolet lamp at atmospheric pressure. To study the applicability of the technique for ambient aerosol analysis, several samples were collected onto filters and analyzed, with the focus being on selected organic acids. To compare the DAPPI-HRMS data with results obtained by an established method, each filter sample was divided into two equal parts, and the second half of the filter was extracted and analyzed by liquid chromatography/mass spectrometry (LC/MS). The DAPPI results agreed with the measured aerosol particle number. In addition to the targeted acids, the LC/MS and DAPPI-HRMS methods were found to detect different compounds, thus providing complementary information about the aerosol samples. DAPPI-HRMS showed several important oxidation products of terpenes, and numerous compounds were tentatively identified. Thanks to the soft ionization, high mass resolution, fast analysis, simplicity and on-line applicability, the proposed methodology has high potential in the field of atmospheric research. Copyright © 2015 John Wiley & Sons, Ltd.

  9. Chemically reactive species in liquids generated by atmospheric-pressure plasmas and their roles in plasma medicine

    Energy Technology Data Exchange (ETDEWEB)

    Hamaguchi, Satoshi [Center for Atomic and Molecular Technologies, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

    2013-07-11

    Plasmas whose gas temperatures are close to room temperature may be generated in ambient air or a gas at atmospheric pressure with the use of low-frequency high voltage or low-power radio-frequency (RF) or microwave power applied to electrodes. Such plasmas can serve as a powerful source of free radicals and/or chemically reactive species that arise from atoms and molecules of the ambient gas. Recently use of such plasmas for medical purposes has attracted much attention as they can be implemented in possible medical devices that can cause blood coagulation, heal wounds, facilitate angiogenesis, sterilize surgical devices as well as living tissues without harming healthy cells, and selectively inactivate cancer cells. Especially of interest among reactive species generated by atmospheric-pressure plasmas (APP) are reactive oxygen species (ROS) and reactive nitrogen species (RNS) that are generated in liquid phase. Since most living tissues and cells are immersed in liquids (such as blood or culture media), reactive species generated by APPs in the gas phase are transported to the liquid phase and possibly converted to different types of reactive species therein before causing some influence on the tissues or cells. In this study, the rate equations are solved to evaluate concentrations of various reactive species in pure water that are originated by plasma reactions in atmosphere and possible effects of such species (including ROS/RNS) on living tissues and cells are discussed.

  10. Chemically reactive species in liquids generated by atmospheric-pressure plasmas and their roles in plasma medicine

    International Nuclear Information System (INIS)

    Hamaguchi, Satoshi

    2013-01-01

    Plasmas whose gas temperatures are close to room temperature may be generated in ambient air or a gas at atmospheric pressure with the use of low-frequency high voltage or low-power radio-frequency (RF) or microwave power applied to electrodes. Such plasmas can serve as a powerful source of free radicals and/or chemically reactive species that arise from atoms and molecules of the ambient gas. Recently use of such plasmas for medical purposes has attracted much attention as they can be implemented in possible medical devices that can cause blood coagulation, heal wounds, facilitate angiogenesis, sterilize surgical devices as well as living tissues without harming healthy cells, and selectively inactivate cancer cells. Especially of interest among reactive species generated by atmospheric-pressure plasmas (APP) are reactive oxygen species (ROS) and reactive nitrogen species (RNS) that are generated in liquid phase. Since most living tissues and cells are immersed in liquids (such as blood or culture media), reactive species generated by APPs in the gas phase are transported to the liquid phase and possibly converted to different types of reactive species therein before causing some influence on the tissues or cells. In this study, the rate equations are solved to evaluate concentrations of various reactive species in pure water that are originated by plasma reactions in atmosphere and possible effects of such species (including ROS/RNS) on living tissues and cells are discussed

  11. Chemical vapour deposition of silicon under reduced pressure in a hot-wall reactor: Equilibrium and kinetics

    International Nuclear Information System (INIS)

    Langlais, F.; Hottier, F.; Cadoret, R.

    1982-01-01

    Silicon chemical vapour deposition (SiH 2 Cl 2 /H 2 system), under reduced pressure conditions, in a hot-wall reactor, is presented. The vapour phase composition is assessed by evaluating two distinct equilibria. The homogeneous equilibrium , which assumes that the vapour phase is not in equilibrium with solid silicon, is thought to give an adequate description of the vapour phase in the case of low pressure, high gas velocities, good temperature homogeneity conditions. A comparison with heterogeneous equilibrium enables us to calculate the supersaturation so evidencing a highly irreversible growth system. The experimental determination of the growth rates reveals two distinct temperature ranges: below 1000 0 C, polycrystalline films are usually obtained with a thermally activated growth rate (+40 kcal mole -1 ) and a reaction order, with respect to the predominant species SiCl 2 , close to one; above 1000 0 C, the films are always monocrystalline and their growth rate exhibits a much lower or even negative activation energy, the reaction order in SiCl 2 remaining about one. (orig.)

  12. Seawater-sediment interaction at elevated temperatures and pressures: implications for the near field chemical environment

    International Nuclear Information System (INIS)

    Seyfried, W.E. Jr.; Thornton, E.C.; Janecky, D.R.

    1981-01-01

    Results of four experiments are reported which document chemical exchange and mineralogic modification during seawater-sediment interaction at 200 0 to 300 0 C, 500 bars. Sediments used for this study are from MPG-1 (central North Pacific). Experimental conditions (T, P, W/R) were chosen to be reasonably analogous to conditions which will characterize the near field environment; that is a zone within approximately 1 m of the buried waste canister. In general, the major element chemistry of seawater was similarly modified in all experiments. The aqueous concentrations of Ca, Mg, Sr, and SO 4 decreased and SiO 2 /sub (aq)/, Na, K, and ΣCO 2 increased relative to values in seawater prior to reaction with sediments. pH decreased and remained distinctly acid. Con comitantly significant concentrations of heavy metals entered seawater from the sediments during reaction. Dissolution of Mn-rich phases profoundly affected alteration processes. For example, reaction of MnO 2 components of the smectite-rich sediment (Pacific smectite) with seawater created an unusually oxidizing milieu (fO 2 = 10 -7 74 ), and resulted in dissolution of significant quantities of Au from the reaction cell. Although illite-quartz-Fe-chlorite (sediment B)-seawater interaction also created a relatively oxidizing environment, this environment was not capable of oxidizing Au. Thus, in this regard (oxidation potential) sediment mineralogy exerts a strong influence. Mineralogic modification of sediment B at 200 0 and 300 0 C was minor and characterized by partial dissolution of illite and exchange of Fe for Mg in chlorite. In contrast the smectite-rich sediment, which, prior to reaction with seawater contained a poorly crystalline smectite phase, clinoptilolite, and amorphous material, recrystallized totally to a well defined smectite mineral. Anhydrite was abundantly present amongst the alteration products of all experiments

  13. Structural plasticity: how intermetallics deform themselves in response to chemical pressure, and the complex structures that result.

    Science.gov (United States)

    Berns, Veronica M; Fredrickson, Daniel C

    2014-10-06

    Interfaces between periodic domains play a crucial role in the properties of metallic materials, as is vividly illustrated by the way in which the familiar malleability of many metals arises from the formation and migration of dislocations. In complex intermetallics, such interfaces can occur as an integral part of the ground-state crystal structure, rather than as defects, resulting in such marvels as the NaCd2 structure (whose giant cubic unit cell contains more than 1000 atoms). However, the sources of the periodic interfaces in intermetallics remain mysterious, unlike the dislocations in simple metals, which can be associated with the exertion of physical stresses. In this Article, we propose and explore the concept of structural plasticity, the hypothesis that interfaces in complex intermetallic structures similarly result from stresses, but ones that are inherent in a defect-free parent structure, rather than being externally applied. Using DFT-chemical pressure analysis, we show how the complex structures of Ca2Ag7 (Yb2Ag7 type), Ca14Cd51 (Gd14Ag51 type), and the 1/1 Tsai-type quasicrystal approximant CaCd6 (YCd6 type) can all be traced to large negative pressures around the Ca atoms of a common progenitor structure, the CaCu5 type with its simple hexagonal 6-atom unit cell. Two structural paths are found by which the compounds provide relief to the Ca atoms' negative pressures: a Ca-rich pathway, where lower coordination numbers are achieved through defects eliminating transition metal (TM) atoms from the structure; and a TM-rich path, along which the addition of spacer Cd atoms provides the Ca coordination environments greater independence from each other as they contract. The common origins of these structures in the presence of stresses within a single parent structure highlights the diverse paths by which intermetallics can cope with competing interactions, and the role that structural plasticity may play in navigating this diversity.

  14. Reduced-Pressure Chemical Vapor Deposition Growth of Isolated Ge Crystals and Suspended Layers on Micrometric Si Pillars.

    Science.gov (United States)

    Skibitzki, Oliver; Capellini, Giovanni; Yamamoto, Yuji; Zaumseil, Peter; Schubert, Markus Andreas; Schroeder, Thomas; Ballabio, Andrea; Bergamaschini, Roberto; Salvalaglio, Marco; Miglio, Leo; Montalenti, Francesco

    2016-10-05

    In this work, we demonstrate the growth of Ge crystals and suspended continuous layers on Si(001) substrates deeply patterned in high aspect-ratio pillars. The material deposition was carried out in a commercial reduced-pressure chemical vapor deposition reactor, thus extending the "vertical-heteroepitaxy" technique developed by using the peculiar low-energy plasma-enhanced chemical vapor deposition reactor, to widely available epitaxial tools. The growth process was thoroughly analyzed, from the formation of small initial seeds to the final coalescence into a continuous suspended layer, by means of scanning and transmission electron microscopy, X-ray diffraction, and μ-Raman spectroscopy. The preoxidation of the Si pillar sidewalls and the addition of hydrochloric gas in the reactants proved to be key to achieve highly selective Ge growth on the pillars top only, which, in turn, is needed to promote the formation of a continuous Ge layer. Thanks to continuum growth models, we were able to single out the different roles played by thermodynamics and kinetics in the deposition dynamics. We believe that our findings will open the way to the low-cost realization of tens of micrometers thick heteroepitaxial layer (e.g., Ge, SiC, and GaAs) on Si having high crystal quality.

  15. Whole ceramic-like microreactors from inorganic polymers for high temperature or/and high pressure chemical syntheses.

    Science.gov (United States)

    Ren, Wurong; Perumal, Jayakumar; Wang, Jun; Wang, Hao; Sharma, Siddharth; Kim, Dong-Pyo

    2014-02-21

    Two types of whole ceramic-like microreactors were fabricated from inorganic polymers, polysilsesquioxane (POSS) and polyvinylsilazane (PVSZ), that were embedded with either perfluoroalkoxy (PFA) tube or polystyrene (PS) film templates, and subsequently the templates were removed by physical removal (PFA tube) or thermal decomposition (PS). A POSS derived ceramic-like microreactor with a 10 cm long serpentine channel was obtained by an additional "selective blocking of microchannel" step and subsequent annealing at 300 °C for 1 h, while a PVSZ derived ceramic-like microreactor with a 14 cm long channel was yielded by a co-firing process of the PVSZ-PS composite at 500 °C for 2 h that led to complete decomposition of the film template leaving a microchannel behind. The obtained whole ceramic-like microfluidic devices revealed excellent chemical and thermal stabilities in various solvents, and they were able to demonstrate unique chemical performance at high temperature or/and high pressure conditions such as Michaelis-Arbuzov rearrangement at 150-170 °C, Wolff-Kishner reduction at 200 °C, synthesis of super-paramagnetic Fe3O4 nanoparticles at 320 °C and isomerisation of allyloxybenzene to 2-allylphenol (250 °C and 400 psi). These economic ceramic-like microreactors fabricated by a facile non-lithographic method displayed excellent utility under challenging conditions that is superior to any plastic microreactors and comparable to glass and metal microreactors with high cost.

  16. Synthesis and characterization of graphene layers prepared by low-pressure chemical vapor deposition using triphenylphosphine as precursor

    Energy Technology Data Exchange (ETDEWEB)

    Mastrapa, G.C.; Maia da Costa, M.E.H. Maia [Departamento de Física, Pontifícia Universidade Católica do Rio de Janeiro, 22451-900, Rio de Janeiro, RJ (Brazil); Larrude, D.G., E-mail: dunigl@vdg.fis.puc-rio.br [Departamento de Física, Pontifícia Universidade Católica do Rio de Janeiro, 22451-900, Rio de Janeiro, RJ (Brazil); Freire, F.L. [Departamento de Física, Pontifícia Universidade Católica do Rio de Janeiro, 22451-900, Rio de Janeiro, RJ (Brazil); Brazilian Center for Physical Research, 22290-180, Rio de Janeiro, RJ (Brazil)

    2015-09-15

    The synthesis of a single-layer graphene using a low-pressure Chemical Vapor Deposition (CVD) system with triphenylphosphine as precursor is reported. The amount of triphenylphosphine used as precursor was in the range of 10–40 mg. Raman spectroscopy was employed to analyze samples prepared with 10 mg of the precursor, and these spectra were found typical of graphene. The Raman measurements indicate that the progressive degradation of graphene occurs as the amount of triphenylphosphine increases. X-ray photoelectron spectroscopy measurements were performed to investigate the different chemical environments involving carbon and phosphorous atoms. Scanning electron microscopy and transmission electron microscopy were also employed and the results reveal the formation of dispersed nanostructures on top of the graphene layer, In addition, the number of these nanostructures is directly related to the amount of precursor used for sample growth. - Highlights: • We grow graphene using the solid precursor triphenylphosphine. • Raman analysis confirms the presence of monolayer graphene. • SEM images show the presence of small dark areas dispersed on the graphene surface. • Raman I{sub D}/I{sub G} ratio increases in the dark region of the graphene surface.

  17. Extraction tools for identification of chemical contaminants in estuarine and coastal waters to determine toxic pressure on primary producers.

    Science.gov (United States)

    Booij, Petra; Sjollema, Sascha B; Leonards, Pim E G; de Voogt, Pim; Stroomberg, Gerard J; Vethaak, A Dick; Lamoree, Marja H

    2013-09-01

    The extent to which chemical stressors affect primary producers in estuarine and coastal waters is largely unknown. However, given the large number of legacy pollutants and chemicals of emerging concern present in the environment, this is an important and relevant issue that requires further study. The purpose of our study was to extract and identify compounds which are inhibitors of photosystem II activity in microalgae from estuarine and coastal waters. Field sampling was conducted in the Western Scheldt estuary (Hansweert, The Netherlands). We compared four different commonly used extraction methods: passive sampling with silicone rubber sheets, polar organic integrative samplers (POCIS) and spot water sampling using two different solid phase extraction (SPE) cartridges. Toxic effects of extracts prepared from spot water samples and passive samplers were determined in the Pulse Amplitude Modulation (PAM) fluorometry bioassay. With target chemical analysis using LC-MS and GC-MS, a set of PAHs, PCBs and pesticides was determined in field samples. These compound classes are listed as priority substances for the marine environment by the OSPAR convention. In addition, recovery experiments with both SPE cartridges were performed to evaluate the extraction suitability of these methods. Passive sampling using silicone rubber sheets and POCIS can be applied to determine compounds with different structures and polarities for further identification and determination of toxic pressure on primary producers. The added value of SPE lies in its suitability for quantitative analysis; calibration of passive samplers still needs further investigation for quantification of field concentrations of contaminants. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Voltage and partial pressure dependent defect chemistry in (La,Sr)FeO3-δ thin films investigated by chemical capacitance measurements.

    Science.gov (United States)

    Schmid, Alexander; Rupp, Ghislain M; Fleig, Jürgen

    2018-05-03

    La0.6Sr0.4FeO3-δ (LSF) thin films of different thickness were prepared by pulsed laser deposition on yttria stabilized zirconia (YSZ) and characterized by using three electrode impedance spectroscopy. Electrochemical film capacitance was analyzed in relation to oxygen partial pressure (0.25 mbar to 1 bar), DC polarization (0 m to -600 m) and temperature (500 to 650 °C). For most measurement parameters, the chemical bulk capacitance dominates the overall capacitive properties and the corresponding defect chemical state depends solely on the oxygen chemical potential inside the film, independent of atmospheric oxygen pressure and DC polarization. Thus, defect chemical properties (defect concentrations and defect formation enthalpies) could be deduced from such measurements. Comparison with LSF defect chemical bulk data from the literature showed good agreement for vacancy formation energies but suggested larger electronic defect concentrations in the films. From thickness-dependent measurements at lower oxygen chemical potentials, an additional capacitive contribution could be identified and attributed to the LSF|YSZ interface. Deviations from simple chemical capacitance models at high pressures are most probably due to defect interactions.

  19. Voltage and partial pressure dependent defect chemistry in (La,Sr)FeO3–δ thin films investigated by chemical capacitance measurements

    Science.gov (United States)

    Rupp, Ghislain M.; Fleig, Jürgen

    2018-01-01

    La0.6Sr0.4FeO3–δ (LSF) thin films of different thickness were prepared by pulsed laser deposition on yttria stabilized zirconia (YSZ) and characterized by using three electrode impedance spectroscopy. Electrochemical film capacitance was analyzed in relation to oxygen partial pressure (0.25 mbar to 1 bar), DC polarization (0 m to –600 m) and temperature (500 to 650 °C). For most measurement parameters, the chemical bulk capacitance dominates the overall capacitive properties and the corresponding defect chemical state depends solely on the oxygen chemical potential inside the film, independent of atmospheric oxygen pressure and DC polarization. Thus, defect chemical properties (defect concentrations and defect formation enthalpies) could be deduced from such measurements. Comparison with LSF defect chemical bulk data from the literature showed good agreement for vacancy formation energies but suggested larger electronic defect concentrations in the films. From thickness-dependent measurements at lower oxygen chemical potentials, an additional capacitive contribution could be identified and attributed to the LSF|YSZ interface. Deviations from simple chemical capacitance models at high pressures are most probably due to defect interactions. PMID:29671421

  20. Highly informative multiclass profiling of lipids by ultra-high performance liquid chromatography - Low resolution (quadrupole) mass spectrometry by using electrospray ionization and atmospheric pressure chemical ionization interfaces.

    Science.gov (United States)

    Beccaria, Marco; Inferrera, Veronica; Rigano, Francesca; Gorynski, Krzysztof; Purcaro, Giorgia; Pawliszyn, Janusz; Dugo, Paola; Mondello, Luigi

    2017-08-04

    A simple, fast, and versatile method, using an ultra-high performance liquid chromatography system coupled with a low resolution (single quadrupole) mass spectrometer was optimized to perform multiclass lipid profiling of human plasma. Particular attention was made to develop a method suitable for both electrospray ionization and atmospheric pressure chemical ionization interfaces (sequentially in positive- and negative-ion mode), without any modification of the chromatographic conditions (mobile phase, flow-rate, gradient, etc.). Emphasis was given to the extrapolation of the structural information based on the fragmentation pattern obtained using atmospheric pressure chemical ionization interface, under each different ionization condition, highlighting the complementary information obtained using the electrospray ionization interface, of support for related molecule ions identification. Furthermore, mass spectra of phosphatidylserine and phosphatidylinositol obtained using the atmospheric pressure chemical ionization interface are reported and discussed for the first time. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Phospholipids fatty acids of drinking water reservoir sedimentary microbial community: Structure and function responses to hydrostatic pressure and other physico-chemical properties.

    Science.gov (United States)

    Chai, Bei-Bei; Huang, Ting-Lin; Zhao, Xiao-Guang; Li, Ya-Jiao

    2015-07-01

    Microbial communities in three drinking water reservoirs, with different depth in Xi'an city, were quantified by phospholipids fatty acids analysis and multivariate statistical analysis was employed to interpret their response to different hydrostatic pressure and other physico-chemical properties of sediment and overlying water. Principle component analyses of sediment characteristics parameters showed that hydrostatic pressure was the most important effect factor to differentiate the overlying water quality from three drinking water reservoirs from each other. NH4+ content in overlying water was positive by related to hydrostatic pressure, while DO in water-sediment interface and sediment OC in sediment were negative by related with it. Three drinking water reservoir sediments were characterized by microbial communities dominated by common and facultative anaerobic Gram-positive bacteria, as well as, by sulfur oxidizing bacteria. Hydrostatic pressure and physico-chemical properties of sediments (such as sediment OC, sediment TN and sediment TP) were important effect factors to microbial community structure, especially hydrostatic pressure. It is also suggested that high hydrostatic pressure and low dissolved oxygen concentration stimulated Gram-positive and sulfate-reducing bacteria (SRB) bacterial population in drinking water reservoir sediment. This research supplied a successful application of phospholipids fatty acids and multivariate analysis to investigate microbial community composition response to different environmental factors. Thus, few physico-chemical factors can be used to estimate composition microbial of community as reflected by phospholipids fatty acids, which is difficult to detect.

  2. Nanoscale multilayered and porous carbide interphases prepared by pressure-pulsed reactive chemical vapor deposition for ceramic matrix composites

    International Nuclear Information System (INIS)

    Jacques, S.; Jouanny, I.; Ledain, O.; Maillé, L.; Weisbecker, P.

    2013-01-01

    In Ceramic Matrix Composites (CMCs) reinforced by continuous fibers, a good toughness is achieved by adding a thin film called “interphase” between the fiber and the brittle matrix, which acts as a mechanical fuse by deflecting the matrix cracks. Pyrocarbon (PyC), with or without carbide sub-layers, is typically the material of choice to fulfill this role. The aim of this work was to study PyC-free nanoscale multilayered carbide coatings as interphases for CMCs. Nanoscale multilayered (SiC–TiC) n interphases were deposited by pressure-Pulsed Chemical Vapor Deposition (P-CVD) on single filament Hi-Nicalon fibers and embedded in a SiC matrix sheath. The thicknesses of the carbide interphase sub-layers could be made as low as a few nanometers as evidenced by scanning and transmission electron microscopy. By using the P-ReactiveCVD method (P-RCVD), in which the TiC growth involves consumption of SiC, it was not only possible to obtain multilayered (SiC–TiC) n films but also TiC films with a porous multilayered microstructure as a result of the Kirkendall effect. The porosity in the TiC sequences was found to be enhanced when some PyC was added to SiC prior to total RCVD consumption. Because the porosity volume fraction was still not high enough, the role of mechanical fuse of the interphases could not be evidenced from the tensile curves, which remained fully linear even when chemical attack of the fiber surface was avoided.

  3. Nanoscale multilayered and porous carbide interphases prepared by pressure-pulsed reactive chemical vapor deposition for ceramic matrix composites

    Science.gov (United States)

    Jacques, S.; Jouanny, I.; Ledain, O.; Maillé, L.; Weisbecker, P.

    2013-06-01

    In Ceramic Matrix Composites (CMCs) reinforced by continuous fibers, a good toughness is achieved by adding a thin film called "interphase" between the fiber and the brittle matrix, which acts as a mechanical fuse by deflecting the matrix cracks. Pyrocarbon (PyC), with or without carbide sub-layers, is typically the material of choice to fulfill this role. The aim of this work was to study PyC-free nanoscale multilayered carbide coatings as interphases for CMCs. Nanoscale multilayered (SiC-TiC)n interphases were deposited by pressure-Pulsed Chemical Vapor Deposition (P-CVD) on single filament Hi-Nicalon fibers and embedded in a SiC matrix sheath. The thicknesses of the carbide interphase sub-layers could be made as low as a few nanometers as evidenced by scanning and transmission electron microscopy. By using the P-ReactiveCVD method (P-RCVD), in which the TiC growth involves consumption of SiC, it was not only possible to obtain multilayered (SiC-TiC)n films but also TiC films with a porous multilayered microstructure as a result of the Kirkendall effect. The porosity in the TiC sequences was found to be enhanced when some PyC was added to SiC prior to total RCVD consumption. Because the porosity volume fraction was still not high enough, the role of mechanical fuse of the interphases could not be evidenced from the tensile curves, which remained fully linear even when chemical attack of the fiber surface was avoided.

  4. Low-pressure chemical vapour deposition of LiCoO2 thin films: a systematic investigation of the deposition parameters

    NARCIS (Netherlands)

    Oudenhoven, J.F.M.; Dongen, van T.; Niessen, R.A.H.; Croon, de M.H.J.M.; Notten, P.H.L.

    2009-01-01

    The feasibility of volatile precursor low-pressure chemical vapor deposition (LPCVD) for the production of LiCoO2 cathodes for all solid-state microbatteries was examined. To test this feasibility, and gain insight into the deposition behavior, the influence of the deposition parameters on the

  5. Undoped and in-situ B doped GeSn epitaxial growth on Ge by atmospheric pressure-chemical vapor deposition

    DEFF Research Database (Denmark)

    Vincent, B.; Gencarelli, F.; Bender, H.

    2011-01-01

    In this letter, we propose an atmospheric pressure-chemical vapor deposition technique to grow metastable GeSn epitaxial layers on Ge. We report the growth of defect free fully strained undoped and in-situ B doped GeSn layers on Ge substrates with Sit contents up to 8%. Those metastable layers stay...

  6. Comparing equivalent thermal, high pressure and pulsed electric field processes for mild pasteurization of orange juice: Part II: Impact on specific chemical and biochemical quality parameters

    NARCIS (Netherlands)

    Vervoort, L.; Plancken, van der I.; Grauwet, T.; Timmermans, R.A.H.; Mastwijk, H.C.; Matser, A.M.; Hendrickx, M.E.; Loey, van A.

    2011-01-01

    The impact of thermal, high pressure (HP) and pulsed electric field (PEF) processing for mild pasteurization of orange juice was compared on a fair basis, using processing conditions leading to an equivalent degree of microbial inactivation. Examining the effect on specific chemical and biochemical

  7. Properties of alumina films prepared by metal-organic chemical vapour deposition at atmospheric pressure in hte presence of small amounts of water

    NARCIS (Netherlands)

    Haanappel, V.A.C.; Haanappel, V.A.C.; van Corbach, H.D.; Rem, J.B.; Fransen, T.; Gellings, P.J.

    1995-01-01

    Thin alumina films were deposited on stainless steel, type AISI 304. The deposition process was carried out in nitrogen with low partial pressures of water (0–2.6 × 10−2 kPa (0−0.20 mmHg)) by metal-organic chemical vapour deposition (MOCVD) with aluminium-tri-sec-butoxide (ATSB) as the precursor.

  8. Bacterial attachment on titanium surfaces is dependent on topography and chemical changes induced by nonthermal atmospheric pressure plasma.

    Science.gov (United States)

    Jeong, Won-Seok; Kwon, Jae-Sung; Lee, Jung-Hwan; Uhm, Soo-Hyuk; Ha Choi, Eun; Kim, Kwang-Mahn

    2017-07-26

    Here, we investigated the antibacterial effects of chemical changes induced by nonthermal atmospheric pressure plasma (NTAPP) on smooth and rough Ti. The morphologies of smooth and rough surfaces of Ti were examined using scanning electron microscopy (SEM). Both Ti specimens were then treated for 10 min by NTAPP with nitrogen gas. The surface roughness, chemistry, and wettability were examined by optical profilometry, x-ray photoelectron spectroscopy, and water contact angle analysis, respectively. Bacterial attachment was measured by determining the number of colony forming units and by SEM analysis. The rough Ti showed irregular micropits, whereas smooth Ti had a relatively regular pattern on the surface. There were no differences in morphology between samples before and after NTAPP treatment. NTAPP treatment resulted in changes from hydrophobic to hydrophilic properties on rough and smooth Ti; rough Ti showed relatively higher hydrophilicity. Before NTAPP treatment, Streptococcus sanguinis (S. sanguinis) showed greater attachment on rough Ti, and after NTAPP treatment, there was a significant reduction in bacterial attachment. Moreover, the bacterial attachment rate was significantly lower on rough Ti, and the structure of S. sanguinis colonies were significantly changed on NTAPP-treated Ti. NTAPP treatment inhibited bacterial attachment surrounding titanium implants, regardless of surface topography. Therefore, NTAPP treatment on Ti is a next-generation tool for antibacterial applications in the orthopaedic and dental fields.

  9. Analysis of polycyclic aromatic hydrocarbons using desorption atmospheric pressure chemical ionization coupled to a portable mass spectrometer.

    Science.gov (United States)

    Jjunju, Fred P M; Maher, Simon; Li, Anyin; Badu-Tawiah, Abraham K; Taylor, Stephen; Cooks, R Graham

    2015-02-01

    Desorption atmospheric pressure chemical ionization (DAPCI) is implemented on a portable mass spectrometer and applied to the direct detection of polycyclic aromatic hydrocarbons (PAHs) and alkyl substituted benzenes. The presence of these compounds in the environment poses a significant threat to the health of both humans and wildlife because of their carcinogenic, toxic, and mutagenic properties. As such, instant detection outside of the laboratory is of particular importance to allow in-situ measurement at the source. Using a rapid, high throughput, miniature, handheld mass spectrometer, several alkyl substituted benzenes and PAHs (i.e., 1,2,3,5-tetramethylbenzene, pentamethylbenzene, hexamethylbenzene, fluoranthene, anthracene, benzo[k]fluoranthene, dibenz[a,h]anthracene, acenaphthene, indeno[1,2,3-c,d]pyrene, 9-ethylfluorene, and 1-benzyl-3-methyl-naphthalene) were identified and characterized using tandem mass spectrometry (MS/MS) from ambient surfaces, in the open air. This method can provide almost instantaneous information while minimizing sample preparation, which is advantageous in terms of both cost and simplicity of analysis. This MS-based technique is applicable to a wide range of environmental organic molecules.

  10. Low-Pressure H2, NH3 Microwave Plasma Treatment of Polytetrafluoroethylene (PTFE) Powders: Chemical, Thermal and Wettability Analysis

    Science.gov (United States)

    Hunke, Harald; Soin, Navneet; Shah, Tahir H.; Kramer, Erich; Pascual, Alfons; Karuna, Mallampalli Sri Lakshmi; Siores, Elias

    2015-01-01

    Functionalization of Polytetrafluoroethylene (PTFE) powders of ~6 μm particle size is carried out using low-pressure 2.45 GHz H2, NH3 microwave plasmas for various durations (2.5, 10 h) to chemically modify their surface and alter their surface energy. The X-ray Photoelectron Spectroscopy (XPS) analyses reveal that plasma treatment leads to significant defluorination (F/C atomic ratio of 1.13 and 1.30 for 10 h NH3 and H2 plasma treatments, respectively vs. 1.86 for pristine PTFE), along with the incorporation of functional polar moieties on the surface, resulting in enhanced wettability. Analysis of temperature dependent XPS revealed a loss of surface moieties above 200 °C, however, the functional groups are not completely removable even at higher temperatures (>300 °C), thus enabling the use of plasma treated PTFE powders as potential tribological fillers in high temperature engineering polymers. Ageing studies carried over a period of 12 months revealed that while the surface changes degenerate over time, again, they are not completely reversible. These functionalised PTFE powders can be further used for applications into smart, high performance materials such as tribological fillers for engineering polymers and bio-medical, bio-material applications.

  11. Trace determination of 13 haloacetamides in drinking water using liquid chromatography triple quadrupole mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Chu, Wenhai; Gao, Naiyun; Yin, Daqiang; Krasner, Stuart W; Templeton, Michael R

    2012-04-27

    The haloacetamides (HAcAms) are disinfection by-products (DBPs) in drinking water which are currently receiving increased scientific attention due to their elevated toxicity relative to regulated disinfection by-products. A simultaneous determination method of 13 HAcAms, combining solid-phase extraction (SPE) enrichment, liquid chromatographic (LC) separation, and triple quadrupole mass spectrometry (tqMS) detection with atmospheric pressure chemical ionization (APCI) using selective reaction monitoring in positive mode, was developed to measure HAcAms, including chlorinated, brominated, and iodinated analogs. Ammonium chloride and Oasis HLB were selected as the dechlorinating reagent and polymeric SPE sorbent of HAcAm samples. The used tqMS apparatus showed higher sensitivity for the studied HAcAms in the APCI mode than electrospray ionization. 13 HAcAms were separated by LC in 9.0 min, and the detection limits ranged from 7.6 to 19.7 ng/L. The SPE-LC/tqMS method was successfully applied to quantify 13 HAcAms in drinking water samples for the first time, and first indentified tribromoacetamide and chloroiodoacetamide as DBPs in drinking water. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Atmospheric Pressure Chemical Ionization Gas Chromatography Mass Spectrometry for the Analysis of Selected Emerging Brominated Flame Retardants in Foods

    Science.gov (United States)

    Lv, Surong; Niu, Yumin; Zhang, Jing; Shao, Bing; Du, Zhenxia

    2017-03-01

    Emerging brominated flame retardants (eBFRs) other than polybrominated diphenyl ethers (PBDEs), polybrominated biphenyls (PBBs) and their derivatives in foods have been in focus in recent years due to their increasing production volumes, indefinite information on toxicities and the lack of data on occurrence in environments, foods as well as humans. In this study, gas chromatography was coupled to an atmospheric pressure chemical ionization-tandem mass spectrometry (APGC-MS/MS) for the analysis of six eBFRs in pork, chicken, egg, milk and fish. A short section of unpacked capillary column coupled to the end of the analytical column was applied to improve the chromatographic behaviors of high boiling point compounds. The method was comprehensively validated with method limit of quantification (mLOQ) lower than 8 pg/g wet weight (w.w.). Samples from Chinese Total Diet study were quantified following the validated APGC-MS/MS method. 2,3,4,5-pentabromo-6-ethylbenzene (PBEB), hexabromobenzene (HBB), pentabromotoluene (PBT) and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) were most frequently detected in samples. The highest concentration was found in fish with 351.9 pg/g w.w. of PBT. This is the first report on the presence of PBT in food samples with non-ignorable concentrations and detection rate.

  13. Atmospheric Pressure Chemical Ionization Gas Chromatography Mass Spectrometry for the Analysis of Selected Emerging Brominated Flame Retardants in Foods.

    Science.gov (United States)

    Lv, Surong; Niu, Yumin; Zhang, Jing; Shao, Bing; Du, Zhenxia

    2017-03-10

    Emerging brominated flame retardants (eBFRs) other than polybrominated diphenyl ethers (PBDEs), polybrominated biphenyls (PBBs) and their derivatives in foods have been in focus in recent years due to their increasing production volumes, indefinite information on toxicities and the lack of data on occurrence in environments, foods as well as humans. In this study, gas chromatography was coupled to an atmospheric pressure chemical ionization-tandem mass spectrometry (APGC-MS/MS) for the analysis of six eBFRs in pork, chicken, egg, milk and fish. A short section of unpacked capillary column coupled to the end of the analytical column was applied to improve the chromatographic behaviors of high boiling point compounds. The method was comprehensively validated with method limit of quantification (mLOQ) lower than 8 pg/g wet weight (w.w.). Samples from Chinese Total Diet study were quantified following the validated APGC-MS/MS method. 2,3,4,5-pentabromo-6-ethylbenzene (PBEB), hexabromobenzene (HBB), pentabromotoluene (PBT) and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) were most frequently detected in samples. The highest concentration was found in fish with 351.9 pg/g w.w. of PBT. This is the first report on the presence of PBT in food samples with non-ignorable concentrations and detection rate.

  14. Comparison of Atmospheric Pressure Chemical Ionization and Field Ionization Mass Spectrometry for the Analysis of Large Saturated Hydrocarbons.

    Science.gov (United States)

    Jin, Chunfen; Viidanoja, Jyrki; Li, Mingzhe; Zhang, Yuyang; Ikonen, Elias; Root, Andrew; Romanczyk, Mark; Manheim, Jeremy; Dziekonski, Eric; Kenttämaa, Hilkka I

    2016-11-01

    Direct infusion atmospheric pressure chemical ionization mass spectrometry (APCI-MS) was compared to field ionization mass spectrometry (FI-MS) for the determination of hydrocarbon class distributions in lubricant base oils. When positive ion mode APCI with oxygen as the ion source gas was employed to ionize saturated hydrocarbon model compounds (M) in hexane, only stable [M - H] + ions were produced. Ion-molecule reaction studies performed in a linear quadrupole ion trap suggested that fragment ions of ionized hexane can ionize saturated hydrocarbons via hydride abstraction with minimal fragmentation. Hence, APCI-MS shows potential as an alternative of FI-MS in lubricant base oil analysis. Indeed, the APCI-MS method gave similar average molecular weights and hydrocarbon class distributions as FI-MS for three lubricant base oils. However, the reproducibility of APCI-MS method was found to be substantially better than for FI-MS. The paraffinic content determined using the APCI-MS and FI-MS methods for the base oils was similar. The average number of carbons in paraffinic chains followed the same increasing trend from low viscosity to high viscosity base oils for the two methods.

  15. Analysis of air-, moisture- and solvent-sensitive chemical compounds by mass spectrometry using an inert atmospheric pressure solids analysis probe.

    Science.gov (United States)

    Mosely, Jackie A; Stokes, Peter; Parker, David; Dyer, Philip W; Messinis, Antonis M

    2018-02-01

    A novel method has been developed that enables chemical compounds to be transferred from an inert atmosphere glove box and into the atmospheric pressure ion source of a mass spectrometer whilst retaining a controlled chemical environment. This innovative method is simple and cheap to implement on some commercially available mass spectrometers. We have termed this approach inert atmospheric pressure solids analysis probe ( iASAP) and demonstrate the benefit of this methodology for two air-/moisture-sensitive chemical compounds whose characterisation by mass spectrometry is now possible and easily achieved. The simplicity of the design means that moving between iASAP and standard ASAP is straightforward and quick, providing a highly flexible platform with rapid sample turnaround.

  16. Asymmetric Flow Field Flow Fractionation of Aqueous C60 Nanoparticles with Size Determination by Dynamic Light Scattering and Quantification by Liquid Chromatography Atmospheric Pressure Photo-Ionization Mass Spectrometry

    Science.gov (United States)

    A size separation method was developed for aqueous C60 fullerene aggregates (aqu/C60) using asymmetric flow field flow fractionation (AF4) coupled to a dynamic light scattering detector in flow through mode. Surfactants, which are commonly used in AF4, were avoided as they may al...

  17. Control of the nucleation and quality of graphene grown by low-pressure chemical vapor deposition with acetylene

    International Nuclear Information System (INIS)

    Yang, Meng; Sasaki, Shinichirou; Suzuki, Ken; Miura, Hideo

    2016-01-01

    Graphical abstract: - Highlights: • For the first time, we succeeded in the LPCVD growth of monolayer graphene using acetylene as the precursor gas. • The growth rate is very high when acetylene is used as the source gas. Our process has exhibited the potential to shorten the growth time of CVD graphene. • We found that the domain size, defects density, layer number and the sheet resistance of graphene can be changed by changing the acetylene flow rates. • We found that it is also possible to form bilayer graphene using acetylene. However, further study are necessary to reduce the defects density. - Abstract: Although many studies have reported the chemical vapor deposition (CVD) growth of large-area monolayer graphene from methane, synthesis of graphene using acetylene as the source gas has not been fully explored. In this study, the low-pressure CVD (LPCVD) growth of graphene from acetylene was systematically investigated. We succeeded in regulating the domain size, defects density, layer number and the sheet resistance of graphene by changing the acetylene flow rates. Scanning electron microscopy and Raman spectroscopy were employed to confirm the layer number, uniformity and quality of the graphene films. It is found that a low flow rate of acetylene (0.28 sccm) is required to form high-quality monolayer graphene in our system. On the other hand, the high acetylene flow rate (7 sccm) will induce the growth of the bilayer graphene domains with high defects density. On the basis of selected area electron diffraction (SAED) pattern, the as-grown monolayer graphene domains were analyzed to be polycrystal. We also discussed the relation between the sheet resistacne and defects density in graphene. Our results provide great insights into the understanding of the CVD growth of monolayer and bilayer graphene from acetylene.

  18. C and Si delta doping in Ge by CH_3SiH_3 using reduced pressure chemical vapor deposition

    International Nuclear Information System (INIS)

    Yamamoto, Yuji; Ueno, Naofumi; Sakuraba, Masao; Murota, Junichi; Mai, Andreas; Tillack, Bernd

    2016-01-01

    C and Si delta doping in Ge are investigated using a reduced pressure chemical vapor deposition system to establish atomic-order controlled processes. CH_3SiH_3 is exposed at 250 °C to 500 °C to a Ge on Si (100) substrate using H_2 or N_2 carrier gas followed by a Ge cap layer deposition. At 350 °C, C and Si are uniformly adsorbed on the Ge surface and the incorporated C and Si form steep delta profiles below detection limit of SIMS measurement. By using N_2 as carrier gas, the incorporated C and Si doses in Ge are saturated at one mono-layer below 350 °C. At this temperature range, the incorporated C and Si doses are nearly the same, indicating CH_3SiH_3 is adsorbed on the Ge surface without decomposing the C−Si bond. On the other hand, by using H_2 as carrier gas, lower incorporated C is observed in comparison to Si. CH_3SiH_3 injected with H_2 carrier gas is adsorbed on Ge without decomposing the C−Si bond and the adsorbed C is reduced by dissociation of the C−Si bond during temperature ramp up to 550 °C. The adsorbed C is maintained on the Ge surface in N_2 at 550 °C. - Highlights: • C and Si delta doping in Ge is investigated using RPCVD system by CH_3SiH_3 exposure. • Atomically flat C and Si delta layers are fabricated at 350 °C. • Incorporated C and Si doses are saturated at one mono-layer below 350 °C. • CH_3SiH_3 adsorption occurred without decomposing C−Si bond. • Adsorbed C is desorbed due to dissociation by hydrogen during postannealing at 550 °C.

  19. Characterization of InP/GaAs/Si structures grown by atmospheric pressure metalorganic chemical vapor deposition

    International Nuclear Information System (INIS)

    Pearton, S.J.; Short, K.T.; Macrander, A.T.; Abernathy, C.R.; Mazzi, V.P.; Haegel, N.M.; Al-Jassim, M.M.; Vernon, S.M.; Haven, V.E.

    1989-01-01

    The thickness dependence of material quality of InP-GaAs-Si structures grown by atmospheric pressure metalorganic chemical vapor deposition was investigated. The InP thickness was varied from 1--4 μm, and that of the GaAs from 0.1--4 μm. For a given thickness of InP, its ion channeling yield and x-ray peak width were essentially independent of the GaAs layer thickness. The InP x-ray peak widths were typically 400--440 arcsec for 4-μm-thick layers grown on GaAs. The GaAs x-ray widths in turn varied from 320--1000 arcsec for layer thicknesses from 0.1--4 μm. Cross-sectional transmission electron microscopy showed high defect densities at both the InP-GaAs and GaAs-Si interfaces. In 4-μm-thick InP layers the average threading dislocation density was in the range (3--8) x 10 8 cm -2 with a stacking fault density within the range (0.4--2) x 10 8 cm 2 . The He + ion channeling yield near the InP surface was similar to that of bulk InP (chi/sub min/∼4%), but rose rapidly toward the InP-GaAs heterointerface where it was typically around 50% for 1-μm-thick InP layers. All samples showed room-temperature luminescence, while at 4.4 K, exciton-related transitions, whose intensity was a function of the InP thickness, were observed

  20. Control of the nucleation and quality of graphene grown by low-pressure chemical vapor deposition with acetylene

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Meng, E-mail: youmou@rift.mech.tohoku.ac.jp [Department of Nanomechanics, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Sasaki, Shinichirou [Department of Nanomechanics, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Suzuki, Ken; Miura, Hideo [Fracture and Reliability Research Institute, Tohoku University, Sendai 980-8579 (Japan)

    2016-03-15

    Graphical abstract: - Highlights: • For the first time, we succeeded in the LPCVD growth of monolayer graphene using acetylene as the precursor gas. • The growth rate is very high when acetylene is used as the source gas. Our process has exhibited the potential to shorten the growth time of CVD graphene. • We found that the domain size, defects density, layer number and the sheet resistance of graphene can be changed by changing the acetylene flow rates. • We found that it is also possible to form bilayer graphene using acetylene. However, further study are necessary to reduce the defects density. - Abstract: Although many studies have reported the chemical vapor deposition (CVD) growth of large-area monolayer graphene from methane, synthesis of graphene using acetylene as the source gas has not been fully explored. In this study, the low-pressure CVD (LPCVD) growth of graphene from acetylene was systematically investigated. We succeeded in regulating the domain size, defects density, layer number and the sheet resistance of graphene by changing the acetylene flow rates. Scanning electron microscopy and Raman spectroscopy were employed to confirm the layer number, uniformity and quality of the graphene films. It is found that a low flow rate of acetylene (0.28 sccm) is required to form high-quality monolayer graphene in our system. On the other hand, the high acetylene flow rate (7 sccm) will induce the growth of the bilayer graphene domains with high defects density. On the basis of selected area electron diffraction (SAED) pattern, the as-grown monolayer graphene domains were analyzed to be polycrystal. We also discussed the relation between the sheet resistacne and defects density in graphene. Our results provide great insights into the understanding of the CVD growth of monolayer and bilayer graphene from acetylene.

  1. Direct analysis of volatile organic compounds in foods by headspace extraction atmospheric pressure chemical ionisation mass spectrometry.

    Science.gov (United States)

    Perez-Hurtado, P; Palmer, E; Owen, T; Aldcroft, C; Allen, M H; Jones, J; Creaser, C S; Lindley, M R; Turner, M A; Reynolds, J C

    2017-11-30

    The rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently, the technique of choice for VOC analysis is gas chromatography/mass spectrometry (GC/MS). However, the long chromatographic run times and elaborate sample preparation associated with this technique have led a movement towards direct analysis techniques, such as selected ion flow tube mass spectrometry (SIFT-MS), proton transfer reaction mass spectrometry (PTR-MS) and electronic noses. The work presented here describes the design and construction of a Venturi jet-pump-based modification for a compact mass spectrometer which enables the direct introduction of volatiles for qualitative and quantitative analysis. Volatile organic compounds were extracted from the headspace of heated vials into the atmospheric pressure chemical ionization source of a quadrupole mass spectrometer using a Venturi pump. Samples were analysed directly with no prior sample preparation. Principal component analysis (PCA) was used to differentiate between different classes of samples. The interface is shown to be able to routinely detect problem analytes such as fatty acids and biogenic amines without the requirement of a derivatisation step, and is shown to be able to discriminate between four different varieties of cheese with good intra and inter-day reproducibility using an unsupervised PCA model. Quantitative analysis is demonstrated using indole standards with limits of detection and quantification of 0.395 μg/mL and 1.316 μg/mL, respectively. The described methodology can routinely detect highly reactive analytes such as volatile fatty acids and diamines without the need for a derivatisation step or lengthy chromatographic separations. The capability of the system was demonstrated by discriminating between different varieties of cheese and monitoring the spoilage of meats. © 2017 The Authors. Rapid Communications in Mass

  2. New fundamental equations of thermodynamics for systems in chemical equilibrium at a specified partial pressure of a reactant and the standard transformed formation properties of reactants

    International Nuclear Information System (INIS)

    Alberty, R.A.; Oppenheim, I.

    1993-01-01

    When temperature, pressure, and the partial pressure of a reactant are fixed, the criterion of chemical equilibrium can be expressed in terms of the transformed Gibbs energy G' that is obtained by using a Legendre transform involving the chemical potential of the reactant that is fixed. For reactions of ideal gases, the most natural variables to use in the fundamental equation are T, P', and P B , where P' is the partial pressure of the reactants other than the one that is fixed and P B is the partial pressure of the reactant that is fixed. The fundamental equation for G' yields the expression for the transformed entropy S', and a transformed enthalpy can be defined by the additional Legendre transform H'=G'+TS'. This leads to an additional form of the fundamental equation. The calculation of transformed thermodynamic properties and equilibrium compositions is discussed for a simple system and for a general multireaction system. The change, in a reaction, of the binding of the reactant that is at a specified pressure can be calculated using one of the six Maxwell equations of the fundamental equation in G'

  3. High pressure stability analysis and chemical bonding of Ti{sub 1-x}Zr{sub x}N alloy: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Mamta; Gupta, Dinesh C., E-mail: sosfizix@gmail.com, E-mail: mamta-physics@yahoo.co.in [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior – 474 011 (India)

    2016-05-23

    First-principles pseudo-potential calculations have been performed to analyze the stability of Ti{sub 1-x}Zr{sub x}N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

  4. Comparative study of fourteen alkaloids from Uncaria rhynchophylla hooks and leaves using HPLC-diode array detection-atmospheric pressure chemical ionization/MS method.

    Science.gov (United States)

    Qu, Jialin; Gong, Tianxing; Ma, Bin; Zhang, Lin; Kano, Yoshihiro; Yuan, Dan

    2012-01-01

    The purpose of the study is to compare alkaloid profile of Uncaria rhynchophylla hooks and leaves. Ten oxindole alkaloids and four glycosidic indole alkaloids were identified using HPLC-diode array detection (DAD) or LC-atmospheric pressure chemical ionization (APCI)-MS method, and a HPLC-UV method for simultaneous quantification of major alkaloids was validated. The hooks are characterized by high levels of four oxindole alkaloids rhynchophylline (R), isorhynchophylline (IR), corynoxeine (C) and isocorynoxeine (IC), while the leaves contained high level of two glycosidic indole alkaloids vincoside lactam (VL) and strictosidine (S). The presented methods have proven its usefulness in chemical characterization of U. rhynchophylla hooks and leaves.

  5. Rapid analysis of formic acid, acetic acid, and furfural in pretreated wheat straw hydrolysates and ethanol in a bioethanol fermentation using atmospheric pressure chemical ionisation mass spectrometry

    Directory of Open Access Journals (Sweden)

    Smart Katherine A

    2011-09-01

    Full Text Available Abstract Atmospheric pressure chemical ionisation mass spectrometry (APCI-MS offers advantages as a rapid analytical technique for the quantification of three biomass degradation products (acetic acid, formic acid and furfural within pretreated wheat straw hydrolysates and the analysis of ethanol during fermentation. The data we obtained using APCI-MS correlated significantly with high-performance liquid chromatography analysis whilst offering the analyst minimal sample preparation and faster sample throughput.

  6. Structural, Chemical, and Mechanical Properties of Pressure Garments as a Function of Simulated Use and Repeated Laundering.

    Science.gov (United States)

    Malara, Megan M; Kim, Jayne Y; Clark, J Alexander; Blackstone, Britani N; Ruegsegger, Mark A; Bailey, J Kevin; Supp, Dorothy M; Powell, Heather M

    2018-06-13

    Pressure garments are widely employed for management of postburn scarring. Although pressure magnitude has been linked to efficacy, maintenance of uniform pressure delivery is challenging. An understanding of garment fabric properties is needed to optimize pressure delivery for the duration of garment use. To address this issue, compression vests were manufactured using two commonly used fabrics, Powernet or Dri-Tek Tricot, to achieve 10% reduction in circumference for a child-sized mannequin. Applied pressure was tracked on five anatomical sites over 23 hours, before laundering or after one and five laundering cycles. Load relaxation and fatigue of fabrics were tested before laundering or after one and five laundering cycles, and structural analysis via scanning electron microscopy was performed. Prior to laundering, pressure vests fabricated using Powernet or Dri-Tek Tricot generated a maximum pressure on the mannequin of 20 and 23 mm Hg, respectively. With both fabrics, pressure decreased during daily wear. Following five laundering cycles, Dri-Tek Tricot vests delivered a maximum of 7 vs 15 mm Hg pressure for Powernet at the same site. In cyclic tensile and load relaxation tests, exerted force correlated with fabric weave orientation with greatest force measured parallel to a fabric's long axis. The results demonstrate that Powernet exhibited the greatest applied force with the least garment fatigue. Fabric orientation with respect to the primary direction of tension was a critical factor in pressure generation and maintenance. This study suggests that fabrication of garments using Powernet with its long axis parallel to patient's body part circumference may enhance the magnitude and maintenance of pressure delivery.

  7. High pressure ices are not the end of the story for large icy moons habitability: experimental studies of salts effects on high pressure ices and the implications for icy worlds large hydrosphere structure and chemical evolution

    Science.gov (United States)

    Journaux, Baptiste; Abramson, Evan; Brown, J. Michael; Bollengier, Olivier

    2017-10-01

    The presence of several phases of deep high-pressure ices in large icy moons hydrosphere has often been pointed as a major limitation for the habitability of an uppermost ocean. As they are gravitationally stable bellow liquid H2O, they are thought to act as a chemical barrier between the rocky bed and the ocean. Solutes, including salt species such as NaCl and MgSO4, have been suggested inside icy world oceans from remote sensing, magnetic field measurements and chondritic material alteration models. Unfortunately, the pressures and temperatures inside these hydrospheres are very different from the one found in Earth aqueous environments, so most of our current thermodynamic databases do not cover the range of conditions relevant for modeling realistically large icy worlds interiors.Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability, buoyancy and chemistry of all the phases present at these extreme conditions.In particular brines have been measured to be sometimes more dense than the high pressure ices at melting conditions, possibly creating several oceanic layer "sandwiched" in between two ices shells or in contact with the rocky bed.Other effects currently being investigated by our research group also covers ice melting curve depressions that depend on the salt species and incorporation of solutes inside the crystallographic lattice of high pressure ices. Both of these could have very important implication at the planetary scale, enabling thicker/deeper liquid oceans, and allowing chemical transportation through the high pressure ice layer in large icy worlds.We will present the latest results obtained in-situ using diamond anvil cell high pressure allowing to probe the density, chemistry and thermodynamic properties of high pressure ice and aqueous solutions in equilibrium with Na-Mg-SO4-Cl ionic species.We will also discuss the new

  8. Tuning the electronic structure of bulk FeSe with chemical pressure using quantum oscillations and angle resolved photoemission spectroscopy (ARPES)

    Science.gov (United States)

    Coldea, Amalia

    FeSe is a unique and intriguing superconductor which can be tuned into a high temperature superconducting state using applied pressure, chemical intercalation and surface doping. In the absence of magnetism, the structural transition in FeSe is believed to be electronically driven, with the orbital degrees of freedom playing an important part. This scenario supports the stabilization of a nematic state in FeSe, which manifests as a Fermi surface deformation in the presence of strong interactions, as detected by ARPES. Another manifestation of the nematicity is the enhanced nematic susceptibility determined from elastoresistance measurements under applied strain. Isovalent Sulphur substitution onto the Selenium site constitutes a chemical pressure, which subtly modifies the electronic structure of FeSe, suppressing the structural transition without inducing high temperature superconductivity. I will present the evolution of the electronic structure with chemical pressure in FeSe, as determined from quantum oscillations and ARPES studies and I will discuss the suppression of the nematic electronic state and the role of electronic correlations. Experiments were performed at high magnetic field facilities in Tallahassee, Nijmegen and Toulouse and Diamond Light Source, UK. This work is mainly supported by EPSRC, UK (EP/I004475/1, EP/I017836/1) and I acknowledge my collaborators from Refs. .

  9. Extraction of Kinetic Parameters for the Chemical Vapor Deposition of Polycrystalline Silicon at Medium and Low Pressures

    NARCIS (Netherlands)

    Holleman, J.; Verweij, J.F.; Verweij, Jan F.

    1993-01-01

    The deposition of silicon (Si) from silane (SiH4) was studied in the silane pressure range from 0.5 to 100 Pa (0.005 to1 mbar) and total pressure range from 10 to 1000 Pa using N2 or He as carrier gases. The two reaction paths, namely,heterogeneous and homogeneous decomposition could be separated by

  10. Extraction Tools for Identification of Chemical Contaminants in Estuarine and Coastal Waters to Determine Toxic Pressure on Primary Producers

    NARCIS (Netherlands)

    Booij, P; Sjollema, S.B.; Leonards, P.E.G.; de Voogt, P.; Stroomberg, G.J.; Vethaak, A.D.; Lamoree, M.H.

    2013-01-01

    The extent to which chemical stressors affect primary producers in estuarine and coastal waters is largely unknown. However, given the large number of legacy pollutants and chemicals of emerging concern present in the environment, this is an important and relevant issue that requires further study.

  11. Physico-chemical and viscoelastic properties of high pressure homogenized lemon peel fiber fraction suspensions obtained after sequential pectin extraction

    NARCIS (Netherlands)

    Willemsen, K.L.D.D.; Panozzo, A.; Moelants, K.; Debon, S.J.J.; Desmet, C.; Cardinaels, R.M.; Moldenaers, P.; Wallecan, J.; Hendrickx, M.E.G.

    2017-01-01

    The viscoelastic properties of high pressure homogenized lemon peel cell wall fiber suspensions, obtained after sequential selective pectin extraction, were investigated in the current study. For comparison, a general pectin extraction was additionally performed on lemon peel under acid thermal

  12. Online measurement of biogenic organic acids in the boreal forest using atmospheric pressure chemical ionization mass spectrometry (APCI-MS)

    Science.gov (United States)

    Vogel, A. L.; Brüggemann, M.; ńijälä, M.; Ehn, M.; Junninen, H.; Corrigan, A. L.; Petäjä, T.; Worsnop, D. R.; Russell, L. M.; Kulmala, M.; Williams, J.; Hoffmann, T.

    2012-04-01

    Emission of biogenic volatile organic compounds (BVOCs) by vegetation in the boreal forest and their subsequent atmospheric oxidation leads to the formation of secondary organic aerosol (SOA) which has important impacts on climate and human health. Oxidation of BVOCs produces a variety of mostly unidentified species in oxygenated organic aerosol (OOA). Presently aerosol mass spectrometers (AMS) are able to determine quantitative information about the relative oxygen to carbon content of organic aerosols and thereby reveal the photochemical age and volatility of organic aerosol by distinguishing between low volatile oxygenated organic aerosol (LV-OOA), semivolatile oxygenated organic aerosol (SV-OOA) and hydrocarbon like organic aerosol (HOA)[1]. However, the AMS can usually not be used to measure and quantify single organic compounds such as individual biogenic organic marker compounds. Here we show the results of online measurements of gas and particle phase biogenic acids during HUMPPA-COPEC 2010 at Hyytiälä, Finland. This was achieved by coupling a self built miniature Versatile Aerosol Concentration Enrichment System (mVACES) as described by Geller et al. [2] with an Atmospheric Pressure Chemical Ionization Ion Trap Mass Spectrometer (APCI IT MS; Hoffmann et al., [3]). The benefits of the on-line APCI-MS are soft ionization with little fragmentation compared to AMS, high measurement frequency and less sampling artifacts than in the common procedure of taking filter samples, extraction and detection with LC-MS. Furthermore, the ion trap of the instrument allows MS/MS experiments to be performed by isolation of single m/z ratios of selected molecular species. By subsequent addition of energy, the trapped ions form characteristic fragments which enable structural insight on the molecular level. Comparison of APCI-MS data to AMS data, acquired with a C-ToF-AMS [4], revealed a good correlation coefficient for total organics and sulphate. Furthermore, data show

  13. Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics.

    Science.gov (United States)

    Berns, Veronica M; Engelkemier, Joshua; Guo, Yiming; Kilduff, Brandon J; Fredrickson, Daniel C

    2014-08-12

    The notion of atomic size poses an important challenge to chemical theory: empirical evidence has long established that atoms have spatial requirements, which are summarized in tables of covalent, ionic, metallic, and van der Waals radii. Considerations based on these radii play a central role in the design and interpretation of experiments, but few methods are available to directly support arguments based on atomic size using electronic structure methods. Recently, we described an approach to elucidating atomic size effects using theoretical calculations: the DFT-Chemical Pressure analysis, which visualizes the local pressures arising in crystal structures from the interactions of atomic size and electronic effects. Using this approach, a variety of structural phenomena in intermetallic phases have already been understood in terms that provide guidance to new synthetic experiments. However, the applicability of the DFT-CP method to the broad range of the structures encountered in the solid state is limited by two issues: (1) the difficulty of interpreting the intense pressure features that appear in atomic core regions and (2) the need to divide space among pairs of interacting atoms in a meaningful way. In this article, we describe general solutions to these issues. In addressing the first issue, we explore the CP analysis of a test case in which no core pressures would be expected to arise: isolated atoms in large boxes. Our calculations reveal that intense core pressures do indeed arise in these virtually pressure-less model systems and allow us to trace the issue to the shifts in the voxel positions relative to atomic centers upon expanding and contracting the unit cell. A compensatory grid unwarping procedure is introduced to remedy this artifact. The second issue revolves around the difficulty of interpreting the pressure map in terms of interatomic interactions in a way that respects the size differences of the atoms and avoids artificial geometrical

  14. Structure evolution upon chemical and physical pressure in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Tiittanen, T.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi

    2017-02-15

    Here we demonstrate the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure upon the isovalent larger-for-smaller A-site cation substitution in the B-site ordered double-perovskite system (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6}. This is the same transformation sequence previously observed up to Fm-3m upon heating the parent Sr{sub 2}FeSbO{sub 6} phase to high temperatures. High-pressure treatment, on the other hand, transforms the hexagonal P6{sub 3}/mmc structure of the other end member Ba{sub 2}FeSbO{sub 6} back to the cubic Fm-3m structure. Hence we may conclude that chemical pressure, physical pressure and decreasing temperature all work towards the same direction in the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} system. Also shown is that with increasing Ba-for-Sr substitution level, i.e. with decreasing chemical pressure effect, the degree-of-order among the B-site cations, Fe and Sb, decreases. - Graphical abstract: In the (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6} double-perovskite system the gradual structural transformation from the monoclinic I2/m to tetragonal I4/m, cubic Fm-3m and hexagonal P6{sub 3}/mmc structure is seen upon the isovalent larger-for-smaller A-site cation substitution. High-pressure treatment under 4 GPa extends stability of the cubic Fm-3m structure within a wider substitution range of x. - Highlights: • Gradual structural transitions upon A-cation substitution in (Sr{sub 1−x}Ba{sub x}){sub 2}FeSbO{sub 6.} • With increasing x structure changes from I2/m to I4/m, Fm-3m and P6{sub 3}/mmc. • Degree of B-site order decreases with increasing x and A-site cation radius. • High-pressure treatment extends cubic Fm-3m phase stability for wider x range. • High-pressure treatment affects bond lengths mostly around the A-cation.

  15. Are clusters important in understanding the mechanisms in atmospheric pressure ionization? Part 1: Reagent ion generation and chemical control of ion populations.

    Science.gov (United States)

    Klee, Sonja; Derpmann, Valerie; Wißdorf, Walter; Klopotowski, Sebastian; Kersten, Hendrik; Brockmann, Klaus J; Benter, Thorsten; Albrecht, Sascha; Bruins, Andries P; Dousty, Faezeh; Kauppila, Tiina J; Kostiainen, Risto; O'Brien, Rob; Robb, Damon B; Syage, Jack A

    2014-08-01

    It is well documented since the early days of the development of atmospheric pressure ionization methods, which operate in the gas phase, that cluster ions are ubiquitous. This holds true for atmospheric pressure chemical ionization, as well as for more recent techniques, such as atmospheric pressure photoionization, direct analysis in real time, and many more. In fact, it is well established that cluster ions are the primary carriers of the net charge generated. Nevertheless, cluster ion chemistry has only been sporadically included in the numerous proposed ionization mechanisms leading to charged target analytes, which are often protonated molecules. This paper series, consisting of two parts, attempts to highlight the role of cluster ion chemistry with regard to the generation of analyte ions. In addition, the impact of the changing reaction matrix and the non-thermal collisions of ions en route from the atmospheric pressure ion source to the high vacuum analyzer region are discussed. This work addresses such issues as extent of protonation versus deuteration, the extent of analyte fragmentation, as well as highly variable ionization efficiencies, among others. In Part 1, the nature of the reagent ion generation is examined, as well as the extent of thermodynamic versus kinetic control of the resulting ion population entering the analyzer region.

  16. Investigation Of Arterial Blood Pressure Level And Metabolic Indices In Patients With Arterial Hypertension At Pharmacotherapy With Antihypertensive Medicines Of Various Chemical Structure

    Directory of Open Access Journals (Sweden)

    G.Kh. Glybochko

    2009-12-01

    Full Text Available The research goal is to carry on the comparative analysis of medicines of various chemical structure, Telmisar-tan and Bisoprolol, and to reveal their effect on the arterial blood pressure level and the indices of various metabolic processes in patients with arterial hypertension. 60 out-patients with arterial hypertension (stage II risk III both males and females aged 33-55 have been under study taking Telmisartan and Bisoprolol for 3 months. While treating the patients the arterial blood pressure level control and biochemical investigations for determination the indices of metabolic processes have been carried out. The investigated medications have provided the decrease of systolic and diastolic arterial pressure parameters, the increase of concentration of total and ionized calcium, chlorine ions, urea and total bilirubin in blood plasma. Therapy with Telmisartan has shown more significant increase of potassium level in erythro-cytes, decrease of levels of natrium, glucose, glycolized hemoglobin and triglycerides and increased contents of alani-naminotransferase and aspartataminotransferase. The course of therapy with Bisoprolol has restored the normal level of magnesium in blood plasma, has not have any influence on carbohydrate and lipid metabolism, increased the level of alaninaminotransferase and significantly increased the contents of total and ionized calcium, urea and creatinine. 3-months therapy with Telmisartan and Bisoprolol has proved the decrease of systolic and diastolic arterial pressure in patients with arterial hypertension. The medications under study have had active and variable effects on metabolic indices

  17. Effect of hydrostatic high-pressure processing on the chemical, functional, and rheological properties of starter-free Queso Fresco

    Science.gov (United States)

    Queso Fresco (QF), a popular high-moisture, high-pH Hispanic-style cheese sold in the U.S., underwent high-pressure processing (HPP), which has the potential to improve the safety of cheese, to determine the effects of this process on quality traits of the cheese. Starter-free rennet-set QF (manufa...

  18. Chemical vapour deposition at atmospheric pressure of graphene on molybdenum foil: Effect of annealing time on characteristics and corrosion stability of graphene coatings

    International Nuclear Information System (INIS)

    Naghdi, Samira; Jevremović, Ivana; Mišković-Stanković, Vesna; Rhee, Kyong Yop

    2016-01-01

    Highlights: • Atmospheric pressure chemical vapor deposition of graphene on molybdenum foils. • Quality and domain size of graphene layers increased with longer annealing times. • The number of graphene layers decreased with longer annealing times. • Graphene coatings on molybdenum foils exhibited corrosion inhibitive properties. - Abstract: In this work, the effect of pre-annealing of Mo substrate on the quality of graphene layers grown by chemical vapour deposition was investigated by X-ray diffraction, X-ray photoelectron spectroscopy, and Raman spectroscopy. Moreover, different electrochemical techniques were employed to investigate the corrosion stability of the graphene coated Mo in 0.1 M NaCl. Longer annealing time resulted in less defective graphene coatings with fewer layers. Graphene coating on the annealed Mo provided better protection against corrosion during the initial exposure times, while after prolonged exposure times, both graphene coatings on annealed and non-annealed Mo exhibited nearly the same corrosion inhibitive properties.

  19. Generation of InN nanocrystals in organic solution through laser ablation of high pressure chemical vapor deposition-grown InN thin film

    International Nuclear Information System (INIS)

    Alkis, Sabri; Alevli, Mustafa; Burzhuev, Salamat; Vural, Hüseyin Avni; Okyay, Ali Kemal; Ortaç, Bülend

    2012-01-01

    We report the synthesis of colloidal InN nanocrystals (InN-NCs) in organic solution through nanosecond pulsed laser ablation of high pressure chemical vapor deposition-grown InN thin film on GaN/sapphire template substrate. The size, the structural, the optical, and the chemical characteristics of InN-NCs demonstrate that the colloidal InN crystalline nanostructures in ethanol are synthesized with spherical shape within 5.9–25.3, 5.45–34.8, 3.24–36 nm particle-size distributions, increasing the pulse energy value. The colloidal InN-NCs solutions present strong absorption edge tailoring from NIR region to UV region.

  20. Analysis of vitamin K-1 in fruits and vegetables using accelerated solvent extraction and liquid chromatography tandem mass spectrometry with atmospheric pressure chemical ionization

    DEFF Research Database (Denmark)

    Jäpelt, Rie Bak; Jakobsen, Jette

    2016-01-01

    The objective of this study was to develop a rapid, sensitive, and specific analytical method to study vitamin K-1 in fruits and vegetables. Accelerated solvent extraction and solid phase extraction was used for sample preparation. Quantification was done by liquid chromatography tandem mass...... spectrometry with atmospheric pressure chemical ionization in selected reaction monitoring mode with deuterium-labeled vitamin K1 as an internal standard. The precision was estimated as the pooled estimate of three replicates performed on three different days for spinach, peas, apples, banana, and beetroot...

  1. Low temperature carrier transport study of monolayer MoS{sub 2} field effect transistors prepared by chemical vapor deposition under an atmospheric pressure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: wujing026@gmail.com; He, Jiazhu; Tang, Dan; Lu, Youming; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Liu, Qiang; Wen, Jiao; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Liu, Wenjun [State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, 220 Handan Road, Shanghai 200433 (China); Wu, Jing, E-mail: xkliu@szu.edu.cn, E-mail: wujing026@gmail.com [Department of Physics, National University of Singapore, 21 Lower Kent Ridge Road, 117576 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

    2015-09-28

    Large size monolayer Molybdenum disulphide (MoS{sub 2}) was successfully grown by chemical vapor deposition method under an atmospheric pressure. The electrical transport properties of the fabricated back-gate monolayer MoS{sub 2} field effect transistors (FETs) were investigated under low temperatures; a peak field effect mobility of 59 cm{sup 2}V{sup −1}s{sup −1} was achieved. With the assist of Raman measurement under low temperature, this work identified the mobility limiting factor for the monolayer MoS{sub 2} FETs: homopolar phonon scattering under low temperature and electron-polar optical phonon scattering at room temperature.

  2. Weld region corrosion during chemical cleaning of PWR [pressurized-water reactor] steam generators: Volume 2, Tests and analyses: Final report

    International Nuclear Information System (INIS)

    Barna, J.L.; Bozeka, S.A.; Jevec, J.M.

    1987-07-01

    The potential for preferential corrosion of steam generator weld regions during chemical cleaning using the generic SGOG solvents was investigated. The investigations included development and use of a corrosion assessment test facility which measured corrosion currents in a realistic model of the steam generator geometry in the vicinity of a specific weld during a simulated chemical dissolution of sludge consisting of essentially pure magnetite. A corrosion monitoring technique was developed and qualified. In this technique free corrosion rates measured by linear polarization techniques are added to corrosion rates calculated from galvanic current measured using a zero resistance ammeter to give an estimate of total corrosion rate for a galvanically corroding material. An analytic modeling technique was developed and proved useful in determining the size requirements for the weld region mockup used in the corrosion assessment test facility. The technique predicted galvanic corrosion rates consistent with that observed in a corrosion assessement test when polarization data used as model input were obtained on-line during the test. The test results obtained during this investigation indicated that chemical cleaning using the SGOG magnetite dissolution solvent can be performed with a small amount of corrosion of secondary side internals and pressure boundary welds. The maximum weld region corrosion measured during a typical chemical cleaning cycle to remove essentially pure magnetite sludge was about 8 mils. However, additional site specific weld region corrosion assessment testing and qualification will be required prior to chemical cleaning steam generators at a specific plant. Recommendations for site specific qualification of chemical cleaning processes and for use of process monitors and on-line corrosion instrumentation are included in this report

  3. Microspectroscopic imaging of solution plasma: How do its physical properties and chemical species evolve in atmospheric-pressure water vapor bubbles?

    Science.gov (United States)

    Yui, Hiroharu; Banno, Motohiro

    2018-01-01

    In this article, we review the development of scientific instruments for obtaining information on the evolution of physical properties and chemical species of solution plasma (SP). When a pulsed high voltage is applied between electrodes immersed in an aqueous solution, SP is formed in water vapor bubbles transiently generated in the solution under atmospheric pressure. To clarify how SP emerges in water vapor bubbles and is sustained in solutions, an instrument with micrometer spatial resolution and nanosecond temporal resolution is required. To meet these requirements, a microscopic system with a custom-made optical discharge cell was newly developed, where the working distance between the SP and the microscopic objective lens was minimized. A hollow electrode equipped in the discharge cell also enabled us to control the chemical composition in water vapor bubbles. To study the spatial and temporal evolutions of chemical species in micrometer and nano- to microsecond regions, a streak camera with a spectrometer and a CCD detector with a time-gated electronic device were combined with the microscope system. The developed instrument is expected to contribute to providing a new means of developing new schemes for chemical reactions and material syntheses.

  4. Time-dependent two-temperature chemically non-equilibrium modelling of high-power Ar-N2 pulse-modulated inductively coupled plasmas at atmospheric pressure

    International Nuclear Information System (INIS)

    Tanaka, Yasunori

    2006-01-01

    A time-dependent, two-dimensional, two-temperature and chemical non-equilibrium model was developed for high-power Ar-N 2 pulse-modulated inductively coupled plasmas (PMICPs) at atmospheric pressure. The high-power PMICP is a new technique for sustaining high-power induction plasmas. It can control the plasma temperature and radical densities in the time domain. The PMICP promotes non-equilibrium effects by a sudden application of electric field, even in the high-power density plasmas. The developed model accounts separately for the time-dependent energy conservation equations of electrons and heavy particles. This model also considers reaction heat effects and energy transfer between electrons and heavy particles as well as enthalpy flow resulting from diffusion caused by the particle density gradient. Chemical non-equilibrium effects are also taken into account by solving time-dependent mass conservation equations for each particle, considering diffusion, convection and net production terms resulting from 30 chemical reactions. Transport and thermodynamic properties of Ar-N 2 plasmas are calculated self-consistently using the first order approximation of the Chapman-Enskog method at each position and iteration using the local particle composition, heavy particle temperature and electron temperature. This model is useful to discuss time evolution in temperature, gas flow fields and distribution of chemical species

  5. Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOCDirective and Risk Assessment in General

    Directory of Open Access Journals (Sweden)

    Frands Nielsen

    2001-03-01

    Full Text Available The use of organic compounds in the European Union will in the future be regulated in accordance with the Council Directive 1999/13/EC of 11 March 1999 [1]. In this directive, any organic compound is considered to be a volatile organic compound (VOC if it has a vapour pressure of 10 Pa or more at 20oC, or has a corresponding volatility under the particular condition of use. Introduction of such a limit will sometimes create problems, because vapour pressures cannot be determined with an infinite accuracy. Published data on vapour pressures for a true VOC will sometimes be found to be below 10 Pa and vice versa. When the same limit was introduced in the USA, a considerable amount of time and money were spent in vain on comparing incommensurable data [2]. In this paper, a model is presented for prediction of the vapour pressures of VOCs at 20oC from their chemical (UNIFAC structure. The model is implemented in a computer program, named P_PREDICT, which has larger prediction power close to 10 Pa at 20oC than the other models tested. The main advantage of the model, however, is that no experimental data, which will introduce uncertainty in the predictions, is needed. Classification using P_PREDICT, which only predicts one value for a given UNIFAC structure, is proposed. Organic compounds, which can be described by the UNIFAC groups in the present version of P_PREDICT, therefore, can be classified unambiguously as either VOCs or non-VOCs. Most people, including the present authors, feel uneasy about prioritising precision above accuracy. Modelling vapour pressures, however, could save a lot of money and the errors introduced are not large enough to have any substantial adverse effects for neither human beings nor the environment. A method for calculating vapour pressures at other temperatures than 20oC is tested with a dubious result. This method is used for EU risk assessment of new and existing chemicals.

  6. Chemical aspects of hydrogen ingress in zirconium and zircaloy pressure tubes: ageing management of Indian PHWR coolant channels - determination of hydrogen and deuterium

    International Nuclear Information System (INIS)

    Sayi, Y.S.; Shankaran, P.S.; Yadav, C.S.; Ramanjaneyulu, P.S.; Venugopal, V.; Ramakumar, K.L.; Chhapru, G.C.; Prasad, R.; Jain, H.C.; Sood, D.D.

    2009-02-01

    Pressurized heavy water reactors (PHWRs) use zirconium and zirconium based alloys as clad and coolant tubes since its beginning. The first ever zircaloy-2 pressure tube failure occurred in 1983 at Ontario Hydro's Pickering Unit 2 in Canada which necessitated a thorough examination of causes of such failure. The failure was attributed to massive hydriding at the failed spot of pressure tube. Continuous usage of zirconium alloys could result in their hydrogen and deuterium pick-up leading to hydrogen/ deuterium embrittlement. The life of the zircaloy coolant channels is dictated by hydrogen/deuterium content and hence ageing management of the pressure tubes is essential for ensuring their trouble-free usage. It is desirable to have a sound knowledge on the chemical aspects of zirconium and zirconium based alloys metallurgy, the mechanistic principles of hydrogen ingress into the pressure tubes during in reactor service, and identifying suitable analytical methodologies for precise and accurate determination of hydrogen in wafer thin sliver samples carved out from insides of pressure tubes without causing any structural damage so that it can continue to remain in service. This is desirable so that the ageing management does not result in cost-escalation. This report is divided in to three main parts. The first part deals with the chemical aspects of zirconium and zirconium based alloy metallurgy, the mechanism of hydrogen pick-up and hydride formation in zirconium matrix. The second part describes various methodologies and their limitations, available for hydrogen/deuterium determination. The third part deals in detail, about the extensive investigations carried out at Radioanalytical Chemistry Division (RACD) in Radiochemistry and Isotope Group for establishing an indigenously developed hot vacuum extraction system in combination with quadrupole mass spectrometry for precise determination of hydrogen and deuterium in wafer thin sliver sample of zircaloy. The

  7. Liquid assisted plasma enhanced chemical vapour deposition with a non-thermal plasma jet at atmospheric pressure

    Czech Academy of Sciences Publication Activity Database

    Schäfer, J.; Fricke, K.; Mika, Filip; Pokorná, Zuzana; Zajíčková, L.; Foest, R.

    2017-01-01

    Roč. 630, MAY 30 (2017), s. 71-78 ISSN 0040-6090 R&D Projects: GA MŠk(CZ) LO1212; GA MŠk ED0017/01/01 Institutional support: RVO:68081731 Keywords : plasma jet * liquid assisted plasma enhanced chemical * vapour deposition * silicon oxide Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering OBOR OECD: Coating and films Impact factor: 1.879, year: 2016

  8. Direct atmospheric pressure chemical ionization-tandem mass spectrometry for the continuous real-time trace analysis of benzene, toluene, ethylbenzene, and xylenes in ambient air.

    Science.gov (United States)

    Badjagbo, Koffi; Picard, Pierre; Moore, Serge; Sauvé, Sébastien

    2009-05-01

    Real-time monitoring of benzene, toluene, ethylbenzene, and xylenes (BTEX) in ambient air is essential for the early warning detection associated with the release of these hazardous chemicals and in estimating the potential exposure risks to humans and the environment. We have developed a tandem mass spectrometry (MS/MS) method for continuous real-time determination of ambient trace levels of BTEX. The technique is based on the sampling of air via an atmospheric pressure inlet directly into the atmospheric pressure chemical ionization (APCI) source. The method is linear over four orders of magnitude, with correlation coefficients greater than 0.996. Low limits of detection in the range 1-2 microg/m(3) are achieved for BTEX. The reliability of the method was confirmed through the evaluation of quality parameters such as repeatability and reproducibility (relative standard deviation below 8% and 10%, respectively) and accuracy (over 95%). The applicability of this method to real-world samples was evaluated through measurements of BTEX levels in real ambient air samples and results were compared with a reference GC-FID method. This direct APCI-MS/MS method is suitable for real-time analysis of BTEX in ambient air during regulation surveys as well as for the monitoring of industrial processes or emergency situations.

  9. Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds.

    Science.gov (United States)

    Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Jin, Jang Mi; Yim, Un Hyuk; Shim, Won Joon; Kim, Young Hwan; Kim, Sunghwan

    2016-05-01

    This paper presents a detailed investigation of the feasibility of optimized positive and negative atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and atmospheric pressure photoionization (APPI) MS coupled to hydrogen-deuterium exchange (HDX) for structural assignment of diverse oxygen-containing compounds. The important parameters for optimization of HDX MS were characterized. The optimized techniques employed in the positive and negative modes showed satisfactory HDX product ions for the model compounds when dichloromethane and toluene were employed as a co-solvent in APCI- and APPI-HDX, respectively. The evaluation of the mass spectra obtained from 38 oxygen-containing compounds demonstrated that the extent of the HDX of the ions was structure-dependent. The combination of information provided by different ionization techniques could be used for better speciation of oxygen-containing compounds. For example, (+) APPI-HDX is sensitive to compounds with alcohol, ketone, or aldehyde substituents, while (-) APPI-HDX is sensitive to compounds with carboxylic functional groups. In addition, the compounds with alcohol can be distinguished from other compounds by the presence of exchanged peaks. The combined information was applied to study chemical compositions of degraded oils. The HDX pattern, double bond equivalent (DBE) distribution, and previously reported oxidation products were combined to predict structures of the compounds produced from oxidation of oil. Overall, this study shows that APCI- and APPI-HDX MS are useful experimental techniques that can be applied for the structural analysis of oxygen-containing compounds.

  10. Investigation of deposition characteristics and properties of high-rate deposited silicon nitride films prepared by atmospheric pressure plasma chemical vapor deposition

    International Nuclear Information System (INIS)

    Kakiuchi, H.; Nakahama, Y.; Ohmi, H.; Yasutake, K.; Yoshii, K.; Mori, Y.

    2005-01-01

    Silicon nitride (SiN x ) films have been prepared at extremely high deposition rates by the atmospheric pressure plasma chemical vapor deposition (AP-PCVD) technique on Si(001) wafers from gas mixtures containing He, H 2 , SiH 4 and N 2 or NH 3 . A 150 MHz very high frequency (VHF) power supply was used to generate high-density radicals in the atmospheric pressure plasma. Deposition rate, composition and morphology of the SiN x films prepared with various deposition parameters were studied by scanning electron microscopy and Auger electron spectroscopy. Fourier transformation infrared (FTIR) absorption spectroscopy was also used to characterize the structure and the chemical bonding configurations of the films. Furthermore, etching rate with buffered hydrofluoric acid (BHF) solution, refractive index and capacitance-voltage (C-V) characteristics were measured to evaluate the dielectric properties of the films. It was found that effective passivation of dangling bonds and elimination of excessive hydrogen atoms at the film-growing surface seemed to be the most important factor to form SiN x film with a dense Si-N network. The C-V curve of the optimized film showed good interface properties, although further improvement was necessary for use in the industrial metal-insulator-semiconductor (MIS) applications

  11. Analysis of Nitro-aromatic and Nitramine Explosives by Atmospheric Pressure Chemical Ionization / High Performance Liquid Chromatography / Mass Spectrometry / Mass Spectrometry

    International Nuclear Information System (INIS)

    Hicks, B.J.; Han, W.; Robben, J.R.

    2009-01-01

    This procedure is capable of separating and quantifying twenty-nine high explosives and internal surrogates with a single injection. After the initial preparation step, the sample is introduced to the high performance liquid chromatograph for target separation, ionized by atmospheric pressure chemical ionization and the explosives of interest are isolated / quantified by mass spectrometry / mass spectrometry. Concentrations of the target explosives are measured relative to the response of both internal and external standard concentrations. A C-18 reverse phase high performance liquid chromatograph column is used for separation. Ionization is performed using both positive and negative atmospheric pressure chemical ionization resulting in a molecular ion with little fragmentation. These ions are isolated at the first quadrupole of the mass spectrometer, dissociated by collision with argon in the collision cell and the resulting daughter ions are isolated at the second quadrupole. These daughter ions then reach the detector where they are quantified. To date this procedure represents the most thorough high performance liquid chromatography / mass spectrometry / mass spectrometry explosives analysis available in the environmental chemistry market. (authors)

  12. Cr{sub 2}O{sub 3} thin films grown at room temperature by low pressure laser chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, P.M. [Universidade de Lisboa, Faculdade de Ciencias, Departamento de Fisica and ICEMS, Campo Grande, Ed. C8, 1749-016 Lisboa (Portugal); Silvestre, A.J., E-mail: asilvestre@deq.isel.ipl.p [Instituto Superior de Engenharia de Lisboa and ICEMS, R. Conselheiro Emidio Navarro 1, 1959-007 Lisboa (Portugal); Conde, O. [Universidade de Lisboa, Faculdade de Ciencias, Departamento de Fisica and ICEMS, Campo Grande, Ed. C8, 1749-016 Lisboa (Portugal)

    2011-03-31

    Chromia (Cr{sub 2}O{sub 3}) has been extensively explored for the purpose of developing widespread industrial applications, owing to the convergence of a variety of mechanical, physical and chemical properties in one single oxide material. Various methods have been used for large area synthesis of Cr{sub 2}O{sub 3} films. However, for selective area growth and growth on thermally sensitive materials, laser-assisted chemical vapour deposition (LCVD) can be applied advantageously. Here we report on the growth of single layers of pure Cr{sub 2}O{sub 3} onto sapphire substrates at room temperature by low pressure photolytic LCVD, using UV laser radiation and Cr(CO){sub 6} as chromium precursor. The feasibility of the LCVD technique to access selective area deposition of chromia thin films is demonstrated. Best results were obtained for a laser fluence of 120 mJ cm{sup -2} and a partial pressure ratio of O{sub 2} to Cr(CO){sub 6} of 1.0. Samples grown with these experimental parameters are polycrystalline and their microstructure is characterised by a high density of particles whose size follows a lognormal distribution. Deposition rates of 0.1 nm s{sup -1} and mean particle sizes of 1.85 {mu}m were measured for these films.

  13. Atmospheric pressure chemical vapour deposition of vanadium arsenide thin films via the reaction of VCl4 or VOCl3 with tBuAsH2

    International Nuclear Information System (INIS)

    Thomas, Tegan; Blackman, Christopher S.; Parkin, Ivan P.; Carmalt, Claire J.

    2013-01-01

    Thin films of vanadium arsenide were deposited via the dual-source atmospheric pressure chemical vapour deposition reactions of VCl 4 or VOCl 3 with t BuAsH 2 . Using the vanadium precursor VCl 4 , films were deposited at substrate temperatures of 550–600 °C, which were black-gold in appearance and were found to be metal-rich with high levels of chlorine incorporation. The use of VOCl 3 as the vanadium source resulted in films being deposited between 450 and 600 °C and, unlike when using VCl 4 , were silver in appearance. The films deposited using VOCl 3 demonstrated vanadium to arsenic ratios close to 1:1, and negligible chlorine incorporation. Films deposited using either vanadium precursor were identified as VAs using powder X-ray diffraction and possessed borderline metallic/semiconductor resistivities. - Highlights: • Formation of VAs films via atmospheric pressure chemical vapour deposition. • Films formed using VCl 4 or VOCl 3 and t BuAsH 2 . • Powder X-ray diffraction showed that crystalline VAs films were deposited. • Films from VOCl 3 had a V:As ratio close to 1 with negligible Cl incorporation. • Films were silver and possessed borderline metallic/semiconductor resistivities

  14. Ab initio chemical kinetics for the ClOO + NO reaction: Effects of temperature and pressure on product branching formation

    Science.gov (United States)

    Raghunath, P.; Lin, M. C.

    2012-07-01

    The kinetics and mechanism for the reaction of ClOO with NO have been investigated by ab initio molecular orbital theory calculations based on the CCSD(T)/6-311+G(3df)//PW91PW91/6-311+G(3df) method, employed to evaluate the energetics for the construction of potential energy surfaces and prediction of reaction rate constants. The results show that the reaction can produce two key low energy products ClNO + 3O2 via the direct triplet abstraction path and ClO + NO2 via the association and decomposition mechanism through long-lived singlet pc-ClOONO and ClONO2 intermediates. The yield of ClNO + O2 (1△) from any of the singlet intermediates was found to be negligible because of their high barriers and tight transition states. As both key reactions initially occur barrierlessly, their rate constants were evaluated with a canonical variational approach in our transition state theory and Rice-Ramspergen-Kassel-Marcus/master equation calculations. The rate constants for ClNO + 3O2 and ClO + NO2 production from ClOO + NO can be given by 2.66 × 10-16 T1.91 exp(341/T) (200-700 K) and 1.48 × 10-24 T3.99 exp(1711/T) (200-600 K), respectively, independent of pressure below atmospheric pressure. The predicted total rate constant and the yields of ClNO and NO2 in the temperature range of 200-700 K at 10-760 Torr pressure are in close agreement with available experimental results.

  15. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents

    OpenAIRE

    Heesoo Jung; Jin Ah Seo; Seungki Choi

    2017-01-01

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design?wearable APP (WAPP)?that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully e...

  16. The Effect of Sintering Oxygen Partial Pressure on a SmBiO3 Buffer Layer for Coated Conductors via Chemical Solution Deposition

    Directory of Open Access Journals (Sweden)

    Xiaolei Zhu

    2016-10-01

    Full Text Available The application of high-temperature YBa2Cu3O7−δ (YBCO superconducting material is a considerable prospect for the growing energy shortages. Here, SmBiO3 (SBO films were deposited on (100-orientated yttrium-stabilized zirconia (YSZ simple crystal substrates via the chemical solution deposition (CSD approach for coated conductors, and the effects of sintering oxygen partial pressure on SBO films were studied. The crystalline structures and surface morphologies of SBO films were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, and atomic force microscope (AFM. The optimized growth temperature, the intensity ratios of the SBO (200 peak to the SBO (111 peak, and the crystallinities of SBO films increased with the sintering oxygen partial pressure. The SEM and AFM images displayed a smooth and well-distributed surface in the argon atmosphere. The subsequent YBCO films with superconducting transition temperatures (Tc = 89.5 K, 90.2 K, and 86.2 K and critical current densities (Jc = 0.88 MA/cm2, 1.69 MA/cm2, and 0.09 MA/cm2; 77 K, self-field were deposited to further check the qualities of the SBO layer. These results indicated that sintering oxygen partial pressure had an effect on the epitaxial growth of the SBO buffer layer and YBCO superconducting properties. The experimental results may be a usable reference for the epitaxial growth of YBCO-coated conductors and other oxides.

  17. Effect of Growth Pressure on Epitaxial Graphene Grown on 4H-SiC Substrates by Using Ethene Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    Shuxian Cai

    2015-08-01

    Full Text Available The Si(0001 face and C(000-1 face dependences on growth pressure of epitaxial graphene (EG grown on 4H-SiC substrates by ethene chemical vapor deposition (CVD was studied using atomic force microscopy (AFM and micro-Raman spectroscopy (μ-Raman. AFM revealed that EGs on Si-faced substrates had clear stepped morphologies due to surface step bunching. However, This EG formation did not occur on C-faced substrates. It was shown by μ-Raman that the properties of EG on both polar faces were different. EGs on Si-faced substrates were relatively thinner and more uniform than on C-faced substrates at low growth pressure. On the other hand, D band related defects always appeared in EGs on Si-faced substrates, but they did not appear in EG on C-faced substrate at an appropriate growth pressure. This was due to the μ-Raman covering the step edges when measurements were performed on Si-faced substrates. The results of this study are useful for optimized growth of EG on polar surfaces of SiC substrates.

  18. Structural and Chemical Properties of the Nitrogen-Rich Energetic Material Triaminoguanidinium 1-methyl-5-nitriminotetrazolate under Pressure

    Science.gov (United States)

    2012-08-01

    ABSTRACT 16. SECURITY CLASSIFICATION OF: The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich ener- getic...School Apprenticeship Program (ARO-HSAP), and the Depart- ment of Energy National Nuclear Security Administration (Carnegie/DOE Alliance Center; DE-FC52...B. J. Baer, H. Cynn, W. J. Evans, V. Iota , and C. S. Yoo, Phys. Rev. B 76(1), 014113 (2007). 9T. M. Klapötke, J. Stierstorfer, and A. U. Wallek, Chem

  19. Effect of chemical composition on irradiation embrittlement and annealing in Ni-Cr-Mo-V reactor pressure vessel steel

    Energy Technology Data Exchange (ETDEWEB)

    Novosad, P [Czech Nuclear Society, Prague (Czech Republic)

    1994-12-31

    Results concerning copper and phosphorus influence on radiation-induced changes in the Ni-Cr-Mo-V steel mechanical properties, are presented. Correlations between different mechanical properties for steels with different chemical composition, are presented. A comparison of transition temperature shifts obtained for static and dynamic fracture toughness tests and Charpy impact tests, is discussed. Recovery of radiation hardening, measured by hardness test after isochronal annealing of steels with different compositions, is also shown. Copper content strongly affects irradiation-induced changes of mechanical properties, but phosphorus content in connection with variable copper content has only a small effect. (author). 4 refs., 4 figs., 4 tabs.

  20. Ambient Pressure Laser Desorption—Chemical Ionization Mass Spectrometry for Fast and Reliable Detection of Explosives, Drugs, and Their Precursors

    Directory of Open Access Journals (Sweden)

    René Reiss

    2018-06-01

    Full Text Available Fast and reliable information is crucial for first responders to draw correct conclusions at crime scenes. An ambient pressure laser desorption (APLD mass spectrometer is introduced for this scenario, which enables detecting substances on surfaces without sample pretreatment. It is especially useful for substances with low vapor pressure and thermolabile ones. The APLD allows for the separation of desorption and ionization into two steps and, therefore, both can be optimized separately. Within this work, an improved version of the developed system is shown that achieves limits of detection (LOD down to 500 pg while remaining fast and flexible. Furthermore, realistic scenarios are applied to prove the usability of this system in real-world issues. For this purpose, post-blast residues of a bomb from the Second World War were analyzed, and the presence of PETN was proven without sample pretreatment. In addition, the analyzable substance range could be expanded by various drugs and drug precursors. Thus, the presented instrumentation can be utilized for an increased number of forensically important compound classes without changing the setup. Drug precursors revealed a LOD ranging from 6 to 100 ng. Drugs such as cocaine hydrochloride, heroin, (3,4-methylendioxy-methamphetamine hydrochloride (MDMA hydrochloride, and others exhibit a LOD between 10 to 200 ng.

  1. Chemical Kinetic Influences of Alkyl Chain Structure on the High Pressure and Temperature Oxidation of a Representative Unsaturated Biodiesel: Methyl Nonenoate.

    Science.gov (United States)

    Fridlyand, Aleksandr; Goldsborough, S Scott; Brezinsky, Kenneth

    2015-07-16

    The high pressure and temperature oxidation of methyl trans-2-nonenoate, methyl trans-3-nonenoate, 1-octene, and trans-2-octene are investigated experimentally to probe the influence of the double bond position on the chemical kinetics of long esters and alkenes. Single pulse shock tube experiments are performed in the ranges p = 3.8-6.2 MPa and T = 850-1500 K, with an average reaction time of 2 ms. Gas chromatographic measurements indicate increased reactivity for trans-2-octene compared to 1-octene, whereas both methyl nonenoate isomers have reactivities similar to that of 1-octene. A difference in the yield of stable intermediates is observed for the octenes when compared to the methyl nonenoates. Chemical kinetic models are developed with the aid of the Reaction Mechanism Generator to interpret the experimental results. The models are created using two different base chemistry submodels to investigate the influence of the foundational chemistry (i.e., C0-C4), whereas Monte Carlo simulations are performed to examine the quality of agreement with the experimental results. Significant uncertainties are found in the chemistry of unsaturated esters with the double bonds located close to the ester groups. This work highlights the importance of the foundational chemistry in predictive chemical kinetics of biodiesel combustion at engine relevant conditions.

  2. Varying Eu2+ magnetic order by chemical pressure in EuFe2(As1-xPx)2

    Science.gov (United States)

    Zapf, S.; Wu, D.; Bogani, L.; Jeevan, H. S.; Gegenwart, P.; Dressel, M.

    2011-10-01

    Based on low-field magnetization measurements on a series of single crystals, we present a scheme of the Eu2+ spin alignment in EuFe2(As1-xPx)2. We explain observations of the Eu2+ ordering previously reported, reconciling different existing phase diagrams. The magnetic moments of the Eu2+ ions are slightly canted, yielding a ferromagnetic contribution along the c direction that becomes stronger with pressure, until superconductivity sets in. The spin-density wave as well as the superconducting phase coexist with an antiferromagnetic interlayer coupling of the canted spins. Reducing the interlayer distance finally leads to a ferromagnetic Eu2+ interlayer coupling and to the suppression of superconductivity.

  3. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    International Nuclear Information System (INIS)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-01-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H 2 from cold atomic gas. The formation timescale for H 2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H 2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H 2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H 2 . The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  4. The Abundance of Molecular Hydrogen and Its Correlation with Midplane Pressure in Galaxies: Non-equilibrium, Turbulent, Chemical Models

    Science.gov (United States)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-02-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H2 from cold atomic gas. The formation timescale for H2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H2. The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  5. Residual stress in thick low-pressure chemical-vapor deposited polycrystalline SiC coatings on Si substrates

    Science.gov (United States)

    Choi, D.; Shinavski, R. J.; Steffier, W. S.; Spearing, S. M.

    2005-04-01

    Residual stress in thick coatings of polycrystalline chemical-vapor deposited SiC on Si substrates is a key variable that must be controlled if SiC is to be used in microelectromechanical systems. Studies have been conducted to characterize the residual stress level as a function of deposition temperature, Si wafer and SiC coating thickness, and the ratios of methyltrichlorosilane to hydrogen and hydrogen chloride. Wafer curvature was used to monitor residual stress in combination with a laminated plate analysis. Compressive intrinsic (growth) stresses were measured with magnitudes in the range of 200-300MPa; however, these can be balanced with the tensile stress due to the thermal-expansion mismatch to leave near-zero stress at room temperature. The magnitude of the compressive intrinsic stress is consistent with previously reported values of surface stress in combination with the competition between grain-boundary energy and elastic strain energy.

  6. Contribution to the optimization of the chemical and radiochemical purification of pressurized water nuclear power plants primary coolant

    International Nuclear Information System (INIS)

    Elain, L.

    2004-12-01

    The primary coolant of pressurised water reactors is permanently purified thanks to a device, composed of filters and the demineralizers furnished with ion exchange resins (IER), located in the chemical and volume control system (CVCS). The study of the retention mechanisms of the radio-contaminants by the IER implies, initially, to know the speciation of the primary coolant percolant through the demineralizers. Calculations of theoretical speciation of the primary coolant were carried out on the basis of known composition of the primary coolant and thanks to the use of an adapted chemical speciation code. A complementary study, dedicated to silver behaviour, considered badly extracted, suggests metallic aggregates existence generated by the radiolytic reduction of the Ag + ions. An analysis of the purification curves of the elements Ni, Fe, Co, Cr, Mn, Sb and their principal radionuclides, relating to the cold shutdown of Fessenheim 1-cycle 20 and Tricastin 2-cycle 21, was carried out, in the light of a model based on the concept of a coupling well term - source term. Then, a thermodynamic modelling of ion exchange phenomena in column was established. The formation of the permutation front and the enrichment zones planned was validated by frontal analysis experiments of synthetic fluids (mixtures of Ni(B(OH) 4 ) 2 , LiB(OH) 4 and AgB(OH) 4 in medium B(OH) 3 )), and of real fluid during the putting into service of the device mini-CVCS at the time of Tricastin 2 cold shutdown. New tools are thus proposed, opening the way with an optimised management of demineralizers and a more complete interpretation of the available experience feedback. (author)

  7. Physico-chemical fracturing and cleaning of coal. [Treatment with CO/sub 2/ in water at high pressure

    Science.gov (United States)

    Sapienza, R.S.; Slegeir, W.A.R.

    1983-09-30

    This invention relates to a method of producing a crushable coal and reducing the metallic values in coal represented by Si, Al, Ca, Na, K, and Mg, which comprises contacting a coal/water mix in a weight ratio of from about 4:1 to 1:6 in the presence of CO/sub 2/ at pressures of about 100 to 1400 psi and a minimum temperature of about 15/sup 0/C for a period of about one or more hours to produce a treated coal/water mix. In the process the treated coal/water mix has reduced values for Ca and Mg of up to 78% over the starting mix and the advantageous CO/sub 2/ concentration is in the range of about 3 to 30 g/L. Below 5 g/L CO/sub 2/ only small effects are observed and above 30 g/L no further special advantages are achieved. The coal/water ratios in the range 1:2 to 2:1 are particularly desirable and such ratios are compatible with coal water slurry applications.

  8. Temporally resolved ozone distribution of a time modulated RF atmospheric pressure argon plasma jet: flow, chemical reaction, and transient vortex

    International Nuclear Information System (INIS)

    Zhang, S; Sobota, A; Van Veldhuizen, E M; Bruggeman, P J

    2015-01-01

    The ozone density distribution in the effluent of a time modulated RF atmospheric pressure plasma jet (APPJ) is investigated by time and spatially resolved by UV absorption spectroscopy. The plasma jet is operated with an averaged dissipated power of 6.5 W and gas flow rate 2 slm argon  +2% O 2 . The modulation frequency of the RF power is 50 Hz with a duty cycle of 50%. To investigate the production and destruction mechanism of ozone in the plasma effluent, the atomic oxygen and gas temperature is also obtained by TALIF and Rayleigh scattering, respectively. A temporal increase in ozone density is observed close to the quartz tube exit when the plasma is switched off due to the decrease in O density and gas temperature. Ozone absorption at different axial positions indicates that the ozone distribution is dominated by the convection induced by the gas flow and allows estimating the on-axis local gas velocity in the jet effluent. Transient vortex structures occurring during the switch on and off of the RF power also significantly affect the ozone density in the far effluent. (paper)

  9. Comparison of Cocaine Detections in Corona Discharge Ionization-Ion Mobility Spectrometry and in Atmospheric Pressure Chemical Ionization-Mass Spectrometry

    International Nuclear Information System (INIS)

    Choi, Sung Seen; Kim, Yun Ki; Kim, Ok Bae; An, Seung Geon; Shin, Myung Won; Maeng, Seug Jin; Choi, Gyu Seop

    2010-01-01

    In this study, we determined the detection limit and reproducibility of the new IMS equipped with corona discharge ionization source using cocaine. The sample was injected with liquid solution to compare the results of APCI-MS. Ion mobility spectrometry (IMS) was a technique originally applied for the detection of trace compounds. IMS has been widely used to detect chemical warfare agents, explosives, and illegal drugs since it combines both high sensitivity (detection limits down to the ng/L range to pg/L range, ppb range and ppt range) and relatively low technical expenditure with high-speed data acquisition. The time required to acquire a single spectrum is in the range of several tens ms. The working principle is based on the drift of ions at ambient pressure under the influence of an external electric field

  10. Identification and quantification of flavonoids in human urine samples by column switching liquid chromatography coupled to atmospheric pressure chemical ionization mass spectrometry

    DEFF Research Database (Denmark)

    Nielsen, S. E.; Freese, R.; Cornett, Claus

    2000-01-01

    A rapid and sensitive high-performance liquid chromatographic mass spectrometric (HPLC-MS) method is described for the determination and quantification of 12 dietary flavonoid glycosides and aglycons in human urine samples. Chromatographic separation of the analytes of interest was achieved...... by column-switching, using the first column (a Zorbax 300SB C-3 column) for sample cleanup and eluting the heart-cut flavonoid fraction onto the second column (a Zorbax SE C-18 column) for separation and detection by ultraviolet and atmospheric pressure chemical ionization MS using single ion monitoring...... of variation for the analysis of the 12 different flavonoids in quality control urine samples were 12.3% on average (range 11.0-13.7%, n = 24, reproducibility) and the repeatability of the assay were 5.0% (mean, range 0.1-14.8%, it = 12). A subset of 10 urine samples from a human dietary intervention study...

  11. Comparison of Cocaine Detections in Corona Discharge Ionization-Ion Mobility Spectrometry and in Atmospheric Pressure Chemical Ionization-Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Sung Seen; Kim, Yun Ki; Kim, Ok Bae [Sejong University, Seoul (Korea, Republic of); An, Seung Geon; Shin, Myung Won; Maeng, Seug Jin; Choi, Gyu Seop [Wooju Communication and Technology Co., Seoul (Korea, Republic of)

    2010-08-15

    In this study, we determined the detection limit and reproducibility of the new IMS equipped with corona discharge ionization source using cocaine. The sample was injected with liquid solution to compare the results of APCI-MS. Ion mobility spectrometry (IMS) was a technique originally applied for the detection of trace compounds. IMS has been widely used to detect chemical warfare agents, explosives, and illegal drugs since it combines both high sensitivity (detection limits down to the ng/L range to pg/L range, ppb range and ppt range) and relatively low technical expenditure with high-speed data acquisition. The time required to acquire a single spectrum is in the range of several tens ms. The working principle is based on the drift of ions at ambient pressure under the influence of an external electric field.

  12. An Atmospheric Pressure Chemical Ionization MS/MS Assay Using Online Extraction for the Analysis of 11 Cannabinoids and Metabolites in Human Plasma and Urine.

    Science.gov (United States)

    Klawitter, Jelena; Sempio, Cristina; Mörlein, Sophie; De Bloois, Erik; Klepacki, Jacek; Henthorn, Thomas; Leehey, Maureen A; Hoffenberg, Edward J; Knupp, Kelly; Wang, George S; Hopfer, Christian; Kinney, Greg; Bowler, Russell; Foreman, Nicholas; Galinkin, Jeffrey; Christians, Uwe; Klawitter, Jost

    2017-10-01

    Although, especially in the United States, there has been a recent surge of legalized cannabis for either recreational or medicinal purposes, surprisingly little is known about clinical dose-response relationships, pharmacodynamic and toxicodynamic effects of cannabinoids such as Δ9-tetrahydrocannabinol (THC). Even less is known about other active cannabinoids. To address this knowledge gap, an online extraction, high-performance liquid chromatography coupled with tandem mass spectrometry method for simultaneous quantification of 11 cannabinoids and metabolites including THC, 11-hydroxy-Δ9-tetrahydrocannabinol, 11-nor-Δ9-tetrahydrocannabinol-9-carboxylic acid, 11-nor-Δ9-tetrahydrocannabinol-9-carboxylic acid glucuronide (THC-C-gluc), cannabinol, cannabidiol, cannabigerol, cannabidivarin, Δ9-tetrahydrocannabivarin (THCV), and 11-nor-9-carboxy-Δ9-tetrahydrocannabivarin (THCV-COOH) was developed and validated in human urine and plasma. In contrast to atmospheric pressure chemical ionization, electrospray ionization was associated with extensive ion suppression in plasma and urine samples. Thus, the atmospheric pressure chemical ionization assay was validated showing a lower limit of quantification ranging from 0.39 to 3.91 ng/mL depending on study compound and matrix. The upper limit of quantification was 400 ng/mL except for THC-C-gluc with an upper limit of quantification of 2000 ng/mL. The linearity was r > 0.99 for all analyzed calibration curves. Acceptance criteria for intrabatch and interbatch accuracy (85%-115%) and imprecision (<15%) were met for all compounds. In plasma, the only exceptions were THCV (75.3%-121.2% interbatch accuracy) and cannabidivarin (interbatch imprecision, 15.7%-17.2%). In urine, THCV did not meet predefined acceptance criteria for intrabatch accuracy. This assay allows for monitoring not only THC and its major metabolites but also major cannabinoids that are of interest for marijuana research and clinical practice.

  13. Determination of oxygen and nitrogen derivatives of polycyclic aromatic hydrocarbons in fractions of asphalt mixtures using liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization.

    Science.gov (United States)

    Nascimento, Paulo Cicero; Gobo, Luciana Assis; Bohrer, Denise; Carvalho, Leandro Machado; Cravo, Margareth Coutinho; Leite, Leni Figueiredo Mathias

    2015-12-01

    Liquid chromatography coupled to mass spectrometry with atmospheric pressure chemical ionization was used for the determination of polycyclic aromatic hydrocarbon derivatives, the oxygenated polycyclic aromatic hydrocarbons and nitrated polycyclic aromatic hydrocarbons, formed in asphalt fractions. Two different methods have been developed for the determination of five oxygenated and seven nitrated polycyclic aromatic hydrocarbons that are characterized by having two or more condensed aromatic rings and present mutagenic and carcinogenic properties. The parameters of the atmospheric pressure chemical ionization interface were optimized to obtain the highest possible sensitivity for all compounds. The detection limits of the methods ranged from 0.1 to 57.3 μg/L for nitrated and from 0.1 to 6.6 μg/L for oxygenated derivatives. The limits of quantification were in the range of 4.6-191 μg/L for nitrated and 0.3-8.9 μg/L for oxygenated derivatives. The methods were validated against a diesel particulate extract standard reference material (National Institute of Standards and Technology SRM 1975), and the obtained concentrations (two nitrated derivatives) agreed with the certified values. The methods were applied in the analysis of asphalt samples after their fractionation into asphaltenes and maltenes, according to American Society for Testing and Material D4124, where the maltenic fraction was further separated into its basic, acidic, and neutral parts following the method of Green. Only two nitrated derivatives were found in the asphalt sample, quinoline and 2-nitrofluorene, with concentrations of 9.26 and 2146 mg/kg, respectively, whereas no oxygenated derivatives were detected. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. The potential of organic (electrospray- and atmospheric pressure chemical ionisation) mass spectrometric techniques coupled to liquid-phase separation for speciation analysis.

    Science.gov (United States)

    Rosenberg, Erwin

    2003-06-06

    The use of mass spectrometry based on atmospheric pressure ionisation techniques (atmospheric pressure chemical ionisation, APCI, and electrospray ionisation, ESI) for speciation analysis is reviewed with emphasis on the literature published in and after 1999. This report accounts for the increasing interest that atmospheric pressure ionisation techniques, and in particular ESI, have found in the past years for qualitative and quantitative speciation analysis. In contrast to element-selective detectors, organic mass spectrometric techniques provide information on the intact metal species which can be used for the identification of unknown species (particularly with MS-MS detection) or the confirmation of the actual presence of species in a given sample. Due to the complexity of real samples, it is inevitable in all but the simplest cases to couple atmospheric pressure MS detection to a separation technique. Separation in the liquid phase (capillary electrophoresis or liquid chromatography in reversed phase, ion chromatographic or size-exclusion mode) is particularly suitable since the available techniques cover a very wide range of analyte polarities and molecular mass. Moreover, derivatisation can normally be avoided in liquid-phase separation. Particularly in complex environmental or biological samples, separation in one dimension is not sufficient for obtaining adequate resolution for all relevant species. In this case, multi-dimensional separation, based on orthogonal separation techniques, has proven successful. ESI-MS is also often used in parallel with inductively coupled plasma MS detection. This review is structured in two parts. In the first, the fundamentals of atmospheric pressure ionisation techniques are briefly reviewed. The second part of the review discusses recent applications including redox species, use of ESI-MS for structural elucidation of metal complexes, characterisation and quantification of small organometallic species with relevance to

  15. Direct detection of benzene, toluene, and ethylbenzene at trace levels in ambient air by atmospheric pressure chemical ionization using a handheld mass spectrometer.

    Science.gov (United States)

    Huang, Guangming; Gao, Liang; Duncan, Jason; Harper, Jason D; Sanders, Nathaniel L; Ouyang, Zheng; Cooks, R Graham

    2010-01-01

    The capabilities of a portable mass spectrometer for real-time monitoring of trace levels of benzene, toluene, and ethylbenzene in air are illustrated. An atmospheric pressure interface was built to implement atmospheric pressure chemical ionization for direct analysis of gas-phase samples on a previously described miniature mass spectrometer (Gao et al. Anal. Chem.2006, 78, 5994-6002). Linear dynamic ranges, limits of detection and other analytical figures of merit were evaluated: for benzene, a limit of detection of 0.2 parts-per-billion was achieved for air samples without any sample preconcentration. The corresponding limits of detection for toluene and ethylbenzene were 0.5 parts-per-billion and 0.7 parts-per-billion, respectively. These detection limits are well below the compounds' permissible exposure levels, even in the presence of added complex mixtures of organics at levels exceeding the parts-per-million level. The linear dynamic ranges of benzene, toluene, and ethylbenzene are limited to approximately two orders of magnitude by saturation of the detection electronics. 2010 American Society for Mass Spectrometry. Published by Elsevier Inc. All rights reserved.

  16. High-quality graphene grown on polycrystalline PtRh{sub 20} alloy foils by low pressure chemical vapor deposition and its electrical transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Yang, He; Shen, Chengmin, E-mail: cmshen@iphy.ac.cn; Tian, Yuan; Bao, Lihong; Chen, Peng; Yang, Rong; Yang, Tianzhong; Li, Junjie; Gu, Changzhi; Gao, Hong-Jun [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2016-02-08

    High-quality continuous uniform monolayer graphene was grown on polycrystalline PtRh{sub 20} alloy foils by low pressure chemical vapor deposition. The morphology of graphene was investigated by Raman spectroscopy, scanning electron microscopy, and atomic force microscopy. Analysis results confirm that high quality single-layer graphene was fabricated on PtRh{sub 20} foil at 1050 °C using a lower flux of methane under low pressure. Graphene films were transferred onto the SiO{sub 2}/Si substrate by the bubbling transfer method. The mobility of a test field effect transistor made of the graphene grown on PtRh{sub 20} was measured and reckoned at room temperature, showing that the carrier mobility was about 4000 cm{sup 2} V{sup −1} s{sup −1}. The results indicate that desired quality of single-layer graphene grown on PtRh{sub 20} foils can be obtained by tuning reaction conditions.

  17. Pressure dependence of morphology and phase composition of SiC films deposited by microwave plasma chemical vapor deposition on cemented carbide substrates

    Energy Technology Data Exchange (ETDEWEB)

    Yu Shengwang, E-mail: bkdysw@yahoo.cn; Fan Pengwei; Tang Weizhong; Li Xiaojing; Hu Haolin; Hei Hongjun; Zhang Sikai; Lu Fanxiu

    2011-11-01

    SiC films were deposited on cemented carbide substrates by employing microwave plasma chemical vapor deposition method using tetramethylsilane (Si(CH{sub 3}){sub 4}) diluted in H{sub 2} as the precursor. Scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and scratching technique were used to characterize morphology, composition, phases present and adhesion of the films. Experimental results show that the deposition pressure has great influence on morphologies and phase composition of the films. In sequence, SiC films with a cauliflower-like microstructure, granular films with terrace-featured SiC particles coexisting with Co{sub 2}Si compound and clusters of nanometer SiC nanoplatelets appear as a function of the deposition pressure. In terms of plasma density and substrate temperature, this sequential appearance of microstructures of SiC films was explained. Adhesion tests showed that among the three types of films studied, the films with the terrace-featured SiC particles have relatively higher adhesion. Such knowledge will be of importance when the SiC films are used as interlayer between diamond films and cemented carbide substrates.

  18. Pressure dependence of morphology and phase composition of SiC films deposited by microwave plasma chemical vapor deposition on cemented carbide substrates

    International Nuclear Information System (INIS)

    Yu Shengwang; Fan Pengwei; Tang Weizhong; Li Xiaojing; Hu Haolin; Hei Hongjun; Zhang Sikai; Lu Fanxiu

    2011-01-01

    SiC films were deposited on cemented carbide substrates by employing microwave plasma chemical vapor deposition method using tetramethylsilane (Si(CH 3 ) 4 ) diluted in H 2 as the precursor. Scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray diffraction and scratching technique were used to characterize morphology, composition, phases present and adhesion of the films. Experimental results show that the deposition pressure has great influence on morphologies and phase composition of the films. In sequence, SiC films with a cauliflower-like microstructure, granular films with terrace-featured SiC particles coexisting with Co 2 Si compound and clusters of nanometer SiC nanoplatelets appear as a function of the deposition pressure. In terms of plasma density and substrate temperature, this sequential appearance of microstructures of SiC films was explained. Adhesion tests showed that among the three types of films studied, the films with the terrace-featured SiC particles have relatively higher adhesion. Such knowledge will be of importance when the SiC films are used as interlayer between diamond films and cemented carbide substrates.

  19. Room-Temperature, Ambient-Pressure Chemical Synthesis of Amine-Functionalized Hierarchical Carbon-Sulfur Composites for Lithium-Sulfur Battery Cathodes.

    Science.gov (United States)

    Chae, Changju; Kim, Jinmin; Kim, Ju Young; Ji, Seulgi; Lee, Sun Sook; Kang, Yongku; Choi, Youngmin; Suk, Jungdon; Jeong, Sunho

    2018-02-07

    Recently, the achievement of newly designed carbon-sulfur composite materials has attracted a tremendous amount of attention as high-performance cathode materials for lithium-sulfur batteries. To date, sulfur materials have been generally synthesized by a sublimation technique in sealed containers. This is a well-developed technique for the synthesizing of well-ordered sulfur materials, but it is limited when used to scale up synthetic procedures for practical applications. In this study, we suggest an easily scalable, room-temperature/ambient-pressure chemical pathway for the synthesis of highly functioning cathode materials using electrostatically assembled, amine-terminated carbon materials. It is demonstrated that stable cycling performance outcomes are achievable with a capacity of 730 mAhg -1 at a current density of 1 C with good cycling stability by a virtue of the characteristic chemical/physical properties (a high conductivity for efficient charge conduction and the presence of a number of amine groups that can interact with sulfur atoms during electrochemical reactions) of composite materials. The critical roles of conductive carbon moieties and amine functional groups inside composite materials are clarified with combinatorial analyses by X-ray photoelectron spectroscopy, cyclic voltammetry, and electrochemical impedance spectroscopy.

  20. The effect of chitosan-based edible film and high hydrostatic pressure process on the microbiological and chemical quality of rainbow trout (Oncorhynchus mykiss Walbaum) fillets during cold storage (4±1°C)

    Science.gov (United States)

    Günlü, Ali; Sipahioğlu, Sinem; Alpas, Hami

    2014-01-01

    The objective of this study is to determine the changes in the chemical and microbiological quality of fresh rainbow trout (Oncorhynchus mykiss Walbaum) fillets during storage at 4±1°C as a result of chitosan-based edible film coating, vacuum packaging and high pressure application processes. Chemical (pH, total volatile basic nitrogen and thiobarbituric acid index) and microbiological (total mesophilic and total psychrophilic microorganism) shelf life analyses were carried out in 4-day intervals for samples that were vacuum packaged (C), subjected to high pressure after vacuum packaging (high hydrostatic pressure (HHP)), vacuum packaged after being wrapped by chitosan-based film (CFW) and subjected to high pressure after vacuum packaging and being wrapped by chitosan-based film (HHP+CFW ). According to the chemical and microbiological shelf life analysis results of rainbow trout fillets, shelf life increases of 4 days in HHP group samples, 8 days in CFW group samples and 24 days in HHP+CFW group samples were provided in comparison with the control group. In conclusion, it was determined that high pressure and wrapping with chitosan-based film had protective effect both chemically and microbiologically and that the most effective protection was obtained when both methods were used together.

  1. Quantitative correlations between collision induced dissociation mass spectrometry coupled with electrospray ionization or atmospheric pressure chemical ionization mass spectrometry - Experiment and theory

    Science.gov (United States)

    Ivanova, Bojidarka; Spiteller, Michael

    2018-04-01

    The problematic that we consider in this paper treats the quantitative correlation model equations between experimental kinetic and thermodynamic parameters of coupled electrospray ionization (ESI) mass spectrometry (MS) or atmospheric pressure chemical ionization (APCI) mass spectrometry with collision induced dissociation mass spectrometry, accounting for the fact that the physical phenomena and mechanisms of ESI- and APCI-ion formation are completely different. There are described forty two fragment reactions of three analytes under independent ESI- and APCI-measurements. The developed new quantitative models allow us to study correlatively the reaction kinetics and thermodynamics using the methods of mass spectrometry, which complementary application with the methods of the quantum chemistry provide 3D structural information of the analytes. Both static and dynamic quantum chemical computations are carried out. The object of analyses are [2,3-dimethyl-4-(4-methyl-benzoyl)-2,3-di-p-tolyl-cyclobutyl]-p-tolyl-methanone (1) and the polycyclic aromatic hydrocarbons derivatives of dibenzoperylen (2) and tetrabenzo [a,c,fg,op]naphthacene (3), respectively. As far as (1) is known to be a product of [2π+2π] cycloaddition reactions of chalcone (1,3-di-p-tolyl-propenone), however producing cyclic derivatives with different stereo selectivity, so that the study provide crucial data about the capability of mass spectrometry to provide determine the stereo selectivity of the analytes. This work also first provides quantitative treatment of the relations '3D molecular/electronic structures'-'quantum chemical diffusion coefficient'-'mass spectrometric diffusion coefficient', thus extending the capability of the mass spectrometry for determination of the exact 3D structure of the analytes using independent measurements and computations of the diffusion coefficients. The determination of the experimental diffusion parameters is carried out within the 'current monitoring method

  2. Induction of cell-mediated immunity against B16-BL6 melanoma in mice vaccinated with cells modified by hydrostatic pressure and chemical crosslinking.

    Science.gov (United States)

    Eisenthal, A; Ramakrishna, V; Skornick, Y; Shinitzky, M

    1993-05-01

    In the preceding paper we have demonstrated an increase in presentation of both major histocompatibility complex antigens (MHC) and a tumor-associated antigen of the weakly immunogenic B16 melanoma by a straight-forward technique. The method consists in modulating the tumor cell membrane by hydrostatic pressure and simultaneous chemical crosslinking of the cell-surface proteins. In B16-BL6 melanoma, the induced antigenic modulation was found to persist for over 48 h, which permitted the evaluation of the ability of modified B16-BL6 cells to induce immunity against unmodified B16-BL6 cells. In the present study, we have shown that a significant systemic immunity was induced only in mice that were immunized with modified B16-BL6 melanoma cells, whereas immunization with unmodified B16-BL6 cells had only a marginal effect when compared to the results in control sham-immunized mice. The induced immunity was specific since a single immunization affected the growth of B16-BL6 tumors but had no effect on MCA 106, an antigenically unrelated tumor. The addition of interleukin-2 to the immunization regimen had no effect on the antitumor responses induced by the modified B16-BL6 cells. The cell-mediated immunity conferred by immunization with treated B16-BL6 cells was confirmed in experiments in vitro where splenocytes from immunized mice could be sensitized to proliferate by the presence of B16-BL6 cells. In addition, the altered antigenicity of these melanoma cells appeared to correlate with their increased susceptibility to specific effectors. Thus, 51Cr-labeled B16-BL6 target cells, modified by pressure and crosslinking, in comparison to control labeled target cells, were lysed in much greater numbers by effectors such as lymphokine-activated killer cells and allogeneic cytotoxic lymphocytes (anti-H-2b), while such cells remained resistant to lysis by natural killer cells. Our findings indicate that the physical and chemical modifications of the tumor cells that are

  3. Characterization of aromatic organosulfur model compounds relevant to fossil fuels by using atmospheric pressure chemical ionization with CS2 and high-resolution tandem mass spectrometry.

    Science.gov (United States)

    Tang, Weijuan; Sheng, Huaming; Jin, Chunfen; Riedeman, James S; Kenttämaa, Hilkka I

    2016-04-15

    The chemistry of desulfurization involved in processing crude oil is greatly dependent on the forms of sulfur in the oil. Sulfur exists in different chemical bonding environments in fossil fuels, including those in thiophenes and benzothiophenes, thiols, sulfides, and disulfides. In this study, the fragmentation behavior of the molecular ions of 17 aromatic organosulfur compounds with various functionalities was systematically investigated by using high-resolution tandem mass spectrometry. Multiple-stage tandem mass spectrometric experiments were carried out using a linear quadrupole ion trap (LQIT) equipped with an atmospheric pressure chemical ionization (APCI) source. (+)APCI/CS2 was used to generate stable dominant molecular ions for all the compounds studied except for three sulfides that also showed abundant fragment ions. The LQIT coupled with an orbitrap mass spectrometer was used for elemental composition analysis, which facilitated the identification of the neutral molecules lost during fragmentation. The characteristic fragment ions generated in MS(2) and MS(3) experiments provide clues for the chemical bonding environment of sulfur atoms in the examined compounds. Upon collision-induced dissociation (CID), the molecular ions can lose the sulfur atom in a variety of ways, including as S (32 Da), HS(•) (33 Da), H2 S (34 Da), CS (44 Da), (•) CHS (45 Da) and CH2 S (46 Da). These neutral fragments are not only indicative of the presence of sulfur, but also of the type of sulfur present in the compound. Generally, losses of HS(•) and H2 S were found to be associated with compounds containing saturated sulfur functionalities, while losses of S, CS and (•) CHS were more common for heteroaromatic sulfur compounds. High-resolution tandem mass spectrometry with APCI/CS2 ionization is a viable approach to determining the types of organosulfur compounds. It can potentially be applied to analysis of complex mixtures, which is beneficial to improving the

  4. Use of electron ionization and atmospheric pressure chemical ionization in gas chromatography coupled to time-of-flight mass spetrometry for screening and identification of organic pollutants in waters

    NARCIS (Netherlands)

    Portoles, T.; Mol, J.G.J.; Sancho, J.V.; Hernandez, F.

    2014-01-01

    A new approach has been developed for multiclass screening of organic contaminants in water based on the use of gas chromatography coupled to hybrid quadrupole high-resolution time-of-flight mass spectrometry with atmospheric pressure chemical ionization (GC–(APCI)QTOF MS). The soft ionization

  5. Determination of polar pesticides with atmospheric pressure chemical ionisation mass spectrometry-mass spectrometry using methanol and/or acetonitrile for solid-phase desorption and gradient liquid chromatography.

    NARCIS (Netherlands)

    Geerdink, R.B.; Kooistra-Slijpersma, A.; Tiesnitsch, J.; Kienhuis, P.G.M.; Brinkman, U.A.T.

    1999-01-01

    Thirty-seven polar pesticides, mainly triazines, phenylurea herbicides and phenoxy acids, were determined by LC-atmospheric pressure chemical ionisation MS-MS with methanol and acetonitrile as the organic modifiers. For most pesticides, detection limits were the same irrespective of the modifier.

  6. Effect of the substrate on the properties of ZnO-MgO thin films grown by atmospheric pressure metal-organic chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Torres-Huerta, A.M., E-mail: atohuer@hotmail.com [Instituto Politecnico Nacional, Grupo de Ingenieria en Procesamiento de Materiales CICATA-IPN, Unidad Altamira, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Dominguez-Crespo, M.A. [Instituto Politecnico Nacional, Grupo de Ingenieria en Procesamiento de Materiales CICATA-IPN, Unidad Altamira, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Brachetti-Sibaja, S.B. [Alumna del postgrado en Tecnologia Avanzada del CICATA-IPN, Unidad Altamira IPN, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Arenas-Alatorre, J. [Instituto de Fisica, UNAM, Apartado Postal 20-364, 01000, D.F. (Mexico); Rodriguez-Pulido, A. [Unidad Profesional Adolfo Lopez Mateos, Luis Enrique Erro s/n, 07738, D. F. (Mexico)

    2011-07-01

    The ZnO-MgO alloys possess attractive properties for possible applications in optoelectronic and display devices; however, the optical properties are strongly dependent on the deposition parameters. In this work, the effect of the glassy and metallic substrates on the structural, morphological and optical properties of ZnO-MgO thin films using atmospheric pressure metal-organic chemical vapor deposition was investigated at relatively low deposition temperature, 500 deg. C. Magnesium and zinc acetylacetonates were used as the metal-organic source. X-ray diffraction experiments provided evidence that the kind of substrates cause a deviation of c-axis lattice constant due to the constitution of a oxide mixture (ZnO and MgO) in combination with different intermetallic compounds(Mg{sub 2}Zn{sub 11} and Mg{sub 4}Zn{sub 7}) in the growth films. The substitutional and interstitial sites of Mg{sup 2+} instead of Zn{sup 2+} ions in the lattice are the most probable mechanism to form intermetallic compounds. The optical parameters as well as thickness of the films were calculated by Spectroscopic Ellipsometry using the classical dispersion model based on the sum of the single and double Lorentz and Drude oscillators in combination with Kato-Adachi equations, as well as X-ray reflectivity.

  7. An evaluation of liquid chromatography/mass spectrometry with atmospheric pressure chemical ionization for the rapid and simultaneous measurement of carbamate pesticides and organophorus pesticides

    International Nuclear Information System (INIS)

    Kim, Byung Joo; So, Hun Young

    2000-01-01

    Liquid chromatography/mass spectrometry with an atmospheric pressure chemical ionization interface (LC/APCI/MS) is evaluated for the simultaneous determination of carbamate pesticides and organophosphorus pesticides in a single chromatographic analysis. APCI mass spectra of those compounds were obtained to study their ionization characteristics. APCI provided abundant ions such as protonated molecules and characteristic fragment ions for carbamate pesticides and organophosphorus pesticides. To evaluate the feasibility of the LC/APCI/MS for a routine quantitative analysis, the linearity and repeatability of LC/APCI/MS were examined by measuring standard solution mixtures of five carbamate pesticides and four organophosphorus pesticides over the range of 1 to 100 μg/mL. The peak areas in chromatograms of characteristic ions for those compounds showed less than 3% of variation from run to tun. The standard calibration curves for the nine pesticides show good linearity in the concentration range. The detection limits of the LC/APCI/MS system for those compounds range from 0.006 to 0.2 ng

  8. Doping characteristics of Si-doped n-GaN Epilayers grown by low-pressure metal-organic chemical-vapor deposition

    CERN Document Server

    Noh, S K; Park, S E; Lee, I H; Choi, I H; Son, S J; Lim, K Y; Lee, H J

    1998-01-01

    We studied doping behaviors through analysis of the electronic properties of a series of undoped and Si-doped GaN epilayers grown on (0001) sapphire substrates by the low-pressure metal-organic chemical-vapor deposition (LP-MOCVD) technique. The doping efficiency was in the range of 0.4 - 0.8, and an empirical relation expressed as eta = 0.45 log[Si] - 8.1 was obtained. The temperature dependence of carrier concentration showed that the donor activation energy monotonically decreased from 17.6 meV to almost zero as the doping level increased. We suggest that the reduction in the activation energy is related not to autodoped defect centers but to doped Si donors and that the behavior originates from the formation of an impurity band. On the basis of an abrupt change in the compensation ratio from 0.9 to 0.5 by Si-doping, an exceptional difference in the Hall mobility between the undoped and the Si-doped films is explained by a mixed conduction mechanism of electrons and holes.

  9. Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

    Science.gov (United States)

    Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

    2002-01-01

    The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

  10. High-throughput trace analysis of explosives in water by laser diode thermal desorption/atmospheric pressure chemical ionization-tandem mass spectrometry.

    Science.gov (United States)

    Badjagbo, Koffi; Sauvé, Sébastien

    2012-07-03

    Harmful explosives can accumulate in natural waters in the long term during their testing, usage, storage, and dumping and can pose a health risk to humans and the environment. For the first time, attachment of small anions to neutral molecules in laser diode thermal desorption/atmospheric pressure chemical ionization was systematically investigated for the direct determination of trace nitroaromatics, nitrate esters, and nitramine explosives in water. Using ammonium chloride as an additive improved the instrument response for all the explosives tested and promoted the formation of several characteristic adduct ions. The method performs well achieving good linearity over at least 2 orders of magnitude, with coefficients of determination greater than 0.995. The resulting limits of detection are in the range of 0.009-0.092 μg/L. River water samples were successfully analyzed by the proposed method with accuracy in the range of 96-98% and a response time of 15 s, without any further pretreatment or chromatographic separation.

  11. High molecular weight non-polar hydrocarbons as pure model substances and in motor oil samples can be ionized without fragmentation by atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Hourani, Nadim; Kuhnert, Nikolai

    2012-10-15

    High molecular weight non-polar hydrocarbons are still difficult to detect by mass spectrometry. Although several studies have targeted this problem, lack of good self-ionization has limited the ability of mass spectrometry to examine these hydrocarbons. Failure to control ion generation in the atmospheric pressure chemical ionization (APCI) source hampers the detection of intact stable gas-phase ions of non-polar hydrocarbon in mass spectrometry. Seventeen non-volatile non-polar hydrocarbons, reported to be difficult to ionize, were examined by an optimized APCI methodology using nitrogen as the reagent gas. All these analytes were successfully ionized as abundant and intact stable [M-H](+) ions without the use of any derivatization or adduct chemistry and without significant fragmentation. Application of the method to real-life hydrocarbon mixtures like light shredder waste and car motor oil was demonstrated. Despite numerous reports to the contrary, it is possible to ionize high molecular weight non-polar hydrocarbons by APCI, omitting the use of additives. This finding represents a significant step towards extending the applicability of mass spectrometry to non-polar hydrocarbon analyses in crude oil, petrochemical products, waste or food. Copyright © 2012 John Wiley & Sons, Ltd.

  12. Surface roughening of undoped and in situ B-doped SiGe epitaxial layers deposited by using reduced pressure chemical vapor deposition

    Science.gov (United States)

    Kim, Youngmo; Park, Jiwoo; Sohn, Hyunchul

    2018-01-01

    Si1- x Ge x (:B) epitaxial layers were deposited by using reduced pressure chemical vapor deposition with SiH4, GeH4, and B2H6 source gases, and the dependences of the surface roughness of undoped Si1- x Ge x on the GeH4 flow rate and of Si1- x Ge x :B on the B2H6 flow rate were investigated. The root-mean-square (RMS) roughness value of the undoped Si1- x Ge x at constant thickness increased gradually with increasing Ge composition, resulting from an increase in the amplitude of the wavy surface before defect formation. At higher Ge compositions, the residual strain in Si1- x Ge x significantly decreased through the formation of defects along with an abrupt increase in the RMS roughness. The variation of the surface roughness of Si1- x Ge x :B depended on the boron (B) concentration. At low B concentrations, the RMS roughness of Si1- x Ge x remained constant regardless of Ge composition, which is similar to that of undoped Si1- x Ge x . However, at high B concentrations, the RMS roughness of Si1- x Ge x :B increased greatly due to B islanding. In addition, at very high B concentrations ( 9.9 at%), the RMS roughness of Si1- x Ge x :B decreased due to non-epitaxial growth.

  13. Physico-chemical investigation of cement carbonation in aqueous solution in equilibrium with calcite and with a controlled CO2 partial pressure at 25 and 50 deg. C

    International Nuclear Information System (INIS)

    Chomat, Laure; Trepy, Nadia; Le Bescop, Patrick; Dauzeres, Alexandre; Monguillon, Corinne

    2012-01-01

    In the framework of radioactive waste geological disposal, structural concretes have to be adapted to underground chemical conditions. For concrete in water saturated medium, it is believed that carbonation will have a major impact on the interaction between concrete and the geological medium. So, to understand the complex degradation of the cement paste in that context, it is interesting to study a simplified system such as degradation in carbonated water solution. This solution must be at equilibrium with a CO 2 partial pressure 30 times higher than the atmospheric pCO 2 , to reproduce underground natural conditions of Callovo-Oxfordian clayey rock of Bure (France). In this study, the behaviour of a new low pH material (CEM I + silica fume + fly ashes) is compared with a CEM I cement paste, both of them being submitted to carbonation in aqueous solution in equilibrium with calcite and with a pCO 2 equal to 1.32 kPa (1.3 10 -2 atm). Two different temperatures, 25 and 50 C, are considered. To realize these experiments, two different original types of devices were developed

  14. H + CH{sub 2}CO {yields} CH{sub 3} + CO at high temperature : a high pressure chemical activation reaction with positive barrier.

    Energy Technology Data Exchange (ETDEWEB)

    Hranisavljevic, J.; Kumaran, S. S.; Michael, J. V.

    1997-12-08

    The Laser Photolysis-Shock Tube (LP-ST) technique coupled with H-atom atomic resonance absorption spectrometry (ARAS) has been used to study reaction, H + CH{sub 2}CO {r_arrow} CH{sub 3} + CO, over the temperature range, 863-1400 K. The results can be represented by the Arrhenius expression, k = (4.85 {+-} 0.70) x 10{sup {minus}11} exp({minus}2328 {+-} 155 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The present data have been combined with the earlier low temperature flash photolysis-resonance fluorescence measurements to yield a joint three parameter expression, k = 5.44 x 10{sup {minus}14} T{sup 0.8513} exp({minus}1429 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. This is a chemical activation process that proceeds through vibrationally excited acetyl radicals. However, due to the presence of a low lying forward dissociation channel to CH{sub 3} + CO, the present results refer to the high pressure limiting rate constants. Hence, transition state theory with Eckart tunneling is used to explain the data.

  15. Characterization of Carbon-Contaminated B4C-Coated Optics after Chemically Selective Cleaning with Low-Pressure RF Plasma.

    Science.gov (United States)

    Moreno Fernández, H; Rogler, D; Sauthier, G; Thomasset, M; Dietsch, R; Carlino, V; Pellegrin, E

    2018-01-22

    Boron carbide (B 4 C) is one of the few materials that is expected to be most resilient with respect to the extremely high brilliance of the photon beam generated by free electron lasers (FELs) and is thus of considerable interest for optical applications in this field. However, as in the case of many other optics operated at light source facilities, B 4 C-coated optics are subject to ubiquitous carbon contaminations. Carbon contaminations represent a serious issue for the operation of FEL beamlines due to severe reduction of photon flux, beam coherence, creation of destructive interference, and scattering losses. A variety of B 4 C cleaning technologies were developed at different laboratories with varying success. We present a study regarding the low-pressure RF plasma cleaning of carbon contaminated B 4 C test samples via inductively coupled O 2 /Ar, H 2 /Ar, and pure O 2 RF plasma produced following previous studies using the same ibss GV10x downstream plasma source. Results regarding the chemistry, morphology as well as other aspects of the B 4 C optical coating before and after the plasma cleaning are reported. We conclude that among the above plasma processes only plasma based on pure O 2 feedstock gas exhibits the required chemical selectivity for maintaining the integrity of the B 4 C optical coatings.

  16. An evaluation of liquid chromatography/mass spectrometry with atmospheric pressure chemical ionization for the rapid and simultaneous measurement of carbamate pesticides and organophorus pesticides

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Byung Joo; So, Hun Young [Korea Research Institute of Standards and Sceince, Taejon (Korea, Republic of)

    2000-05-01

    Liquid chromatography/mass spectrometry with an atmospheric pressure chemical ionization interface (LC/APCI/MS) is evaluated for the simultaneous determination of carbamate pesticides and organophosphorus pesticides in a single chromatographic analysis. APCI mass spectra of those compounds were obtained to study their ionization characteristics. APCI provided abundant ions such as protonated molecules and characteristic fragment ions for carbamate pesticides and organophosphorus pesticides. To evaluate the feasibility of the LC/APCI/MS for a routine quantitative analysis, the linearity and repeatability of LC/APCI/MS were examined by measuring standard solution mixtures of five carbamate pesticides and four organophosphorus pesticides over the range of 1 to 100 {mu}g/mL. The peak areas in chromatograms of characteristic ions for those compounds showed less than 3% of variation from run to tun. The standard calibration curves for the nine pesticides show good linearity in the concentration range. The detection limits of the LC/APCI/MS system for those compounds range from 0.006 to 0.2 ng.

  17. Advanced Technologies for Monitoring CO2 Saturation and Pore Pressure in Geologic Formations: Linking the Chemical and Physical Effects to Elastic and Transport Properties

    Energy Technology Data Exchange (ETDEWEB)

    Mavko, G.; Vanorio, T.; Vialle, S.; Saxena, N.

    2014-03-31

    Ultrasonic P- and S-wave velocities were measured over a range of confining pressures while injecting CO2 and brine into the samples. Pore fluid pressure was also varied and monitored together with porosity during injection. Effective medium models were developed to understand the mechanisms and impact of observed changes and to provide the means for implementation of the interpretation methodologies in the field. Ultrasonic P- and S-wave velocities in carbonate rocks show as much as 20-50% decrease after injection of the reactive CO2-brine mixture; the changes were caused by permanent changes to the rock elastic frame associated with dissolution of mineral. Velocity decreases were observed under both dry and fluid-saturated conditions, and the amount of change was correlated with the initial pore fabrics. Scanning Electron Microscope images of carbonate rock microstructures were taken before and after injection of CO2-rich water. The images reveal enlargement of the pores, dissolution of micrite (micron-scale calcite crystals), and pitting of grain surfaces caused by the fluid- solid chemical reactivity. The magnitude of the changes correlates with the rock microtexture – tight, high surface area samples showed the largest changes in permeability and smallest changes in porosity and elastic stiffness compared to those in rocks with looser texture and larger intergranular pore space. Changes to the pore space also occurred from flow of fine particles with the injected fluid. Carbonates with grain-coating materials, such as residual oil, experienced very little permanent change during injection. In the tight micrite/spar cement component, dissolution is controlled by diffusion: the mass transfer of products and reactants is thus slow and the fluid is expected to be close to thermodynamical equilibrium with the calcite, leading to very little dissolution, or even precipitation. In the microporous rounded micrite and macropores, dissolution is controlled by

  18. On the Functionality of Complex Intermetallics: Frustration, Chemical Pressure Relief, and Potential Rattling Atoms in Y11Ni60C6.

    Science.gov (United States)

    Guo, Yiming; Fredrickson, Daniel C

    2016-10-17

    Intermetallic carbides provide excellent model systems for exploring how frustration can shape the structures and properties of inorganic materials. Combinations of several metals with carbon can be designed in which the formation of tetrahedrally close-packed (TCP) intermetallics conflicts with the C atoms' requirement of trigonal prismatic or octahedral coordination environments, as offered by the simple close-packings (SCP) of equally sized spheres. In this Article, we explore the driving forces that lead to the coexistence of these incompatible arrangements in the Yb 11 Ni 60 C 6 -type compound Y 11 Ni 60 C 6 (cI154), as well as potential consequences of this intergrowth for the phase's physical properties. Our focus begins on the structure's SCP regions, which appear as C-stuffed versions of a AuCu 3 -type YNi 3 phase that is not observed on its own in the Y-Ni system. DFT-Chemical Pressure (DFT-CP) calculations on this hypothetical YNi 3 phase reveal large negative pressures within the Ni sublattice, as it is stretched to accommodate the size requirements of the Y atoms. In the Y 11 Ni 60 C 6 structure, two structural mechanisms for addressing these CP issues appear: the incorporation of interstitial C atoms, and the presence of interfaces with CaCu 5 -type domains. The relative roles of these two mechanisms are investigated with the CP analysis on a hypothetical YNi 3 C x series of C-stuffed AuCu 3 -type phases, the Y-Ni sublattice of Y 11 Ni 60 C 6 , and finally the full Y 11 Ni 60 C 6 structure. Through these calculations, the C atoms appear to play the roles of relieving positive Y CPs and supporting relaxation at the AuCu 3 -type/CaCu 5 -type interfaces, where the cancellation occurs between opposite CPs experienced by the Y atoms in the two parent structures (following the epitaxial stabilization mechanism). The CP analysis of Y 11 Ni 60 C 6 also highlights a sublattice of Y and Ni atoms with large negative CPs (and thus the potential for soft

  19. From Serendipity to Rational Design: Tuning the Blue Trigonal Bipyramidal Mn3+ Chromophore to Violet and Purple through Application of Chemical Pressure.

    Science.gov (United States)

    Li, Jun; Lorger, Simon; Stalick, Judith K; Sleight, Arthur W; Subramanian, M A

    2016-10-03

    We recently reported that an allowed d-d transition of trigonal bipyramidal (TBP) Mn 3+ is responsible for the bright blue color in the YIn 1-x Mn x O 3 solid solution. The crystal field splitting between a'(d z 2 ) and e'(d x 2 -y 2 , d xy ) energy levels is very sensitive to the apical Mn-O distance. We therefore applied chemical pressure to compress the apical Mn-O distance in YIn 1-x Mn x O 3 , move the allowed d-d transition to higher energy, and thereby tune the color from blue to violet/purple. This was accomplished by substituting smaller cations such as Ti 4+ /Zn 2+ and Al 3+ onto the TBP In/Mn site, which yielded novel violet/purple phases. The general formula is YIn 1-x-2y-z Mn x Ti y Zn y Al z O 3 (x = 0.005-0.2, y = 0.1-0.4, and z ≤ 0.1), where the color darkens with the increasing amount of Mn. Higher y or small additions of Al provide a more reddish hue to the resulting purple colors. Substituting other rare earth cations for Y has little impact on color. Crystal structure analysis by neutron powder diffraction confirms a shorter apical Mn-O distance compared with that in the blue YIn 1-x Mn x O 3 . Magnetic susceptibility measurements verify the 3+ oxidation state for Mn. Diffuse reflection spectra were obtained over the wavelength region 200-2500 nm. All samples show excellent near-infrared reflectance comparable to that of commercial TiO 2 , making them ideal for cool pigment applications such as energy efficient roofs of buildings and cars where reducing solar heat to save energy is desired. In a comparison with commercial purple pigments, such as Co 3 (PO 4 ) 2 , our pigments are much more thermally stable and chemically inert, and are neither toxic nor carcinogenic.

  20. Effects of H2 High-pressure Annealing on HfO2/Al2O3/In0.53Ga0.47As Capacitors: Chemical Composition and Electrical Characteristics

    OpenAIRE

    Choi, Sungho; An, Youngseo; Lee, Changmin; Song, Jeongkeun; Nguyen, Manh-Cuong; Byun, Young-Chul; Choi, Rino; McIntyre, Paul C.; Kim, Hyoungsub

    2017-01-01

    We studied the impact of H2 pressure during post-metallization annealing on the chemical composition of a HfO2/Al2O3 gate stack on a HCl wet-cleaned In0.53Ga0.47As substrate by comparing the forming gas annealing (at atmospheric pressure with a H2 partial pressure of 0.04?bar) and H2 high-pressure annealing (H2-HPA at 30?bar) methods. In addition, the effectiveness of H2-HPA on the passivation of the interface states was compared for both p- and n-type In0.53Ga0.47As substrates. The decomposi...

  1. Potential of atmospheric pressure chemical ionization source in gas chromatography tandem mass spectrometry for the screening of urinary exogenous androgenic anabolic steroids.

    Science.gov (United States)

    Raro, M; Portolés, T; Pitarch, E; Sancho, J V; Hernández, F; Garrostas, L; Marcos, J; Ventura, R; Segura, J; Pozo, O J

    2016-02-04

    The atmospheric pressure chemical ionization (APCI) source for gas chromatography-mass spectrometry analysis has been evaluated for the screening of 16 exogenous androgenic anabolic steroids (AAS) in urine. The sample treatment is based on the strategy currently applied in doping control laboratories i.e. enzymatic hydrolysis, liquid-liquid extraction (LLE) and derivatization to form the trimethylsilyl ether-trimethylsilyl enol ether (TMS) derivatives. These TMS derivatives are then analyzed by gas chromatography tandem mass spectrometry using a triple quadrupole instrument (GC-QqQ MS/MS) under selected reaction monitoring (SRM) mode. The APCI promotes soft ionization with very little fragmentation resulting, in most cases, in abundant [M + H](+) or [M + H-2TMSOH](+) ions, which can be chosen as precursor ions for the SRM transitions, improving in this way the selectivity and sensitivity of the method. Specificity of the transitions is also of great relevance, as the presence of endogenous compounds can affect the measurements when using the most abundant ions. The method has been qualitatively validated by spiking six different urine samples at two concentration levels each. Precision was generally satisfactory with RSD values below 25 and 15% at the low and high concentration level, respectively. Most the limits of detection (LOD) were below 0.5 ng mL(-1). Validation results were compared with the commonly used method based on the electron ionization (EI) source. EI analysis was found to be slightly more repeatable whereas lower LODs were found for APCI. In addition, the applicability of the developed method has been tested in samples collected after the administration of 4-chloromethandienone. The highest sensitivity of the APCI method for this compound, allowed to increase the period in which its administration can be detected. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Phytoplankton Composition and Abundance in Restored Maltański Reservoir under the Influence of Physico-Chemical Variables and Zooplankton Grazing Pressure.

    Directory of Open Access Journals (Sweden)

    Anna Kozak

    Full Text Available In this paper we present the effects of environmental factors and zooplankton food pressure on phytoplankton in the restored man-made Maltański Reservoir (MR. Two methods of restoration: biomanipulation and phosphorus inactivation have been applied in the reservoir. Nine taxonomical groups of phytoplankton represented in total by 183 taxa were stated there. The richest groups in respect of taxa number were green algae, cyanobacteria and diatoms. The diatoms, cryptophytes, chrysophytes, cyanobacteria, green algae and euglenophytes dominated in terms of abundance and/or biomass. There were significant changes among environmental parameters resulting from restoration measures which influenced the phytoplankton populations in the reservoir. These measures led to a decrease of phosphorus concentration due to its chemical inactivation and enhanced zooplankton grazing as a result of planktivorous fish stocking. The aim of the study is to analyse the reaction of phytoplankton to the restoration measures and, most importantly, to determine the extent to which the qualitative and quantitative composition of phytoplankton depends on variables changing under the influence of restoration in comparison with other environmental variables. We stated that application of restoration methods did cause significant changes in phytoplankton community structure. The abundance of most phytoplankton taxa was negatively correlated with large zooplankton filter feeders, and positively with zooplankton predators and concentrations of ammonium nitrogen and partly of phosphates. However, restoration was insufficient in the case of decreasing phytoplankton abundance. The effects of restoration treatments were of less importance for the abundance of phytoplankton than parameters that were independent of the restoration. This was due to the continuous inflow of large loads of nutrients from the area of the river catchment.

  3. A method for simultaneous analysis of phytosterols and phytosterol esters in tobacco leaves using non aqueous reversed phase chromatography and atmospheric pressure chemical ionization mass spectrometry detector.

    Science.gov (United States)

    Ishida, Naoyuki

    2014-05-02

    While numerous analytical methods for phytosterols have been reported, the similar polarity and large molecules of phytosterol esters have made the methods lengthy and complicated. For this reason, an analytical method that could completely separate phytosterol esters including the higher fatty acids such as palmitic acid, stearic acid, oleic acid, linoleic acid and linolenic acid in addition to phytosterols without preliminary separation was developed. The separation was accomplished by non-aqueous reversed phase chromatography technique using only acetone and acetonitrile. An atmospheric pressure chemical ionization/mass spectrometry detector configured at selected ion monitoring mode was hyphenated with the separation system to detect phytosterols and phytosterol esters. Twenty-four types of these were consequently separated and then identified with their authentic components. The calibration curve was drawn in the range of about 5 to 25,000 ng/mL with a regression coefficient over 0.999. The limit of detection and limit of quantification, respectively, ranged from 0.9 to 3.0 ng/mL and from 3.0 to 11.0 ng/mL. Recovery rates ranged from 80 to 120%. The quantification results were subjected to statistical analysis and hierarchical clustering analysis, and were used to determine the differences in the amounts of phytosterols and phytosterol esters across tobacco leaves. The newly developed method succeeded in clarifying the whole composition of phytosterols and phytosterol esters in tobacco leaves and in explaining compositional differences across the variety of tobacco leaves. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Identification of organic nitrates in the NO3 radical initiated oxidation of alpha-pinene by atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Perraud, Véronique; Bruns, Emily A; Ezell, Michael J; Johnson, Stanley N; Greaves, John; Finlayson-Pitts, Barbara J

    2010-08-01

    The gas-phase reactions of nitrate radicals (NO3) with biogenic organic compounds are a major sink for these organics during night-time. These reactions form secondary organic aerosols, including organic nitrates that can undergo long-range transport, releasing NOx downwind. We report here studies of the reaction of NO3 with alpha-pinene at 1 atm in dry synthetic air (relative humidity approximately 3%) and at 298 K using atmospheric pressure chemical ionization triple quadrupole mass spectrometry (APCI-MS) to identify gaseous and particulate products. The emphasis is on the identification of individual organic nitrates in the particle phase that were obtained by passing the product mixture through a denuder to remove gas-phase reactants and products prior to entering the source region of the mass spectrometer. Filter extracts were also analyzed by GC-MS and by APCI time-of-flight mass spectrometry (APCI-ToF-MS) with methanol as the proton source. In addition to pinonaldehyde and pinonic acid, five organic nitrates were identified in the particles as well as in the gas phase: 3-oxopinane-2-nitrate, 2-hydroxypinane-3-nitrate, pinonaldehyde-PAN, norpinonaldehyde-PAN, and (3-acetyl-2,2-dimethyl-3-nitrooxycyclobutyl)acetaldehyde. Furthermore, there was an additional first-generation organic nitrate product tentatively identified as a carbonyl hydroxynitrate with a molecular mass of 229. These studies suggest that a variety of organic nitrates would partition between the gas phase and particles in the atmosphere, and serve as a reservoir for NOx.

  5. Atmospheric Pressure Chemical Vapor Deposition of CdTe for High-Efficiency Thin-Film PV Devices; Annual Report, 26 January 1998-25 January 1999

    Energy Technology Data Exchange (ETDEWEB)

    Meyers, P. V. [ITN Energy Systems, Wheat Ridge, Colorado (US); Kee, R.; Wolden, C.; Raja, L.; Kaydanov, V.; Ohno, T.; Collins, R.; Aire, M.; Kestner, J. [Colorado School of Mines, Golden, Colorado (US); Fahrenbruch, A. [ALF, Inc., Stanford, California (US)

    1999-09-30

    ITN's 3-year project, titled ''Atmospheric Pressure Chemical Vapor Deposition (APCVD) of CdTe for High-Efficiency Thin-Film Photovoltaic (PV) Devices,'' has the overall objectives of improving thin-film CdTe PV manufacturing technology and increasing CdTe PV device power conversion efficiency. CdTe deposition by APCVD employs the same reaction chemistry as has been used to deposit 16%-efficient CdTe PV films, i.e., close-spaced sublimation, but employs forced convection rather than diffusion as a mechanism of mass transport. Tasks of the APCVD program center on demonstrating APCVD of CdTe films, discovering fundamental mass-transport parameters, applying established engineering principles to the deposition of CdTe films, and verifying reactor design principles that could be used to design high-throughput, high-yield manufacturing equipment. Additional tasks relate to improved device measurement and characterization procedures that can lead to a more fundamental understanding of CdTe PV device operation, and ultimately, to higher device conversion efficiency and greater stability. Specifically, under the APCVD program, device analysis goes beyond conventional one-dimensional device characterization and analysis toward two-dimension measurements and modeling. Accomplishments of the first year of the APCVD subcontract include: selection of the Stagnant Flow Reactor design concept for the APCVD reactor, development of a detailed reactor design, performance of detailed numerical calculations simulating reactor performance, fabrication and installation of an APCVD reactor, performance of dry runs to verify reactor performance, performance of one-dimensional modeling of CdTe PV device performance, and development of a detailed plan for quantification of grain-boundary effects in polycrystalline CdTe devices.

  6. Analysis of chemical warfare agents in food products by atmospheric pressure ionization-high field asymmetric waveform ion mobility spectrometry-mass spectrometry.

    Science.gov (United States)

    Kolakowski, Beata M; D'Agostino, Paul A; Chenier, Claude; Mester, Zoltán

    2007-11-01

    Flow injection high field asymmetric waveform ion mobility spectrometry (FAIMS)-mass spectrometry (MS) methodology was developed for the detection and identification of chemical warfare (CW) agents in spiked food products. The CW agents, soman (GD), sarin (GB), tabun (GA), cyclohexyl sarin (GF), and four hydrolysis products, ethylphosphonic acid (EPA), methylphosphonic acid (MPA), pinacolyl methylphosphonic acid (Pin MPA), and isopropyl methylphosphonic acid (IMPA) were separated and detected by positive ion and negative ion atmospheric pressure ionization-FAIMS-MS. Under optimized conditions, the compensation voltages were 7.2 V for GD, 8.0 V for GA, 7.2 V for GF, 7.6 V for GB, 18.2 V for EPA, 25.9 V for MPA, -1.9 V for PinMPA, and +6.8 V for IMPA. Sample preparation was kept to a minimum, resulting in analysis times of 3 min or less per sample. The developed methodology was evaluated by spiking bottled water, canola oil, cornmeal, and honey samples at low microgram per gram (or microg/mL) levels with the CW agents or CW agent hydrolysis products. The detection limits observed for the CW agents in the spiked food samples ranged from 3 to 15 ng/mL in bottled water, 1-33 ng/mL in canola oil, 1-34 ng/g in cornmeal, and 13-18 ng/g in honey. Detection limits were much higher for the CW agent hydrolysis products, with only MPA being detected in spiked honey samples.

  7. A dilute Cu(Ni) alloy for synthesis of large-area Bernal stacked bilayer graphene using atmospheric pressure chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Madito, M. J.; Bello, A.; Dangbegnon, J. K.; Momodu, D. Y.; Masikhwa, T. M.; Barzegar, F.; Manyala, N., E-mail: ncholu.manyala@up.ac.za [Department of Physics, Institute of Applied Materials, SARCHI Chair in Carbon Technology and Materials, University of Pretoria, Pretoria 0028 (South Africa); Oliphant, C. J.; Jordaan, W. A. [National Metrology Institute of South Africa, Private Bag X34, Lynwood Ridge, Pretoria 0040 (South Africa); Fabiane, M. [Department of Physics, Institute of Applied Materials, SARCHI Chair in Carbon Technology and Materials, University of Pretoria, Pretoria 0028 (South Africa); Department of Physics, National University of Lesotho, P.O. Roma 180 (Lesotho)

    2016-01-07

    A bilayer graphene film obtained on copper (Cu) foil is known to have a significant fraction of non-Bernal (AB) stacking and on copper/nickel (Cu/Ni) thin films is known to grow over a large-area with AB stacking. In this study, annealed Cu foils for graphene growth were doped with small concentrations of Ni to obtain dilute Cu(Ni) alloys in which the hydrocarbon decomposition rate of Cu will be enhanced by Ni during synthesis of large-area AB-stacked bilayer graphene using atmospheric pressure chemical vapour deposition. The Ni doped concentration and the Ni homogeneous distribution in Cu foil were confirmed with inductively coupled plasma optical emission spectrometry and proton-induced X-ray emission. An electron backscatter diffraction map showed that Cu foils have a single (001) surface orientation which leads to a uniform growth rate on Cu surface in early stages of graphene growth and also leads to a uniform Ni surface concentration distribution through segregation kinetics. The increase in Ni surface concentration in foils was investigated with time-of-flight secondary ion mass spectrometry. The quality of graphene, the number of graphene layers, and the layers stacking order in synthesized bilayer graphene films were confirmed by Raman and electron diffraction measurements. A four point probe station was used to measure the sheet resistance of graphene films. As compared to Cu foil, the prepared dilute Cu(Ni) alloy demonstrated the good capability of growing large-area AB-stacked bilayer graphene film by increasing Ni content in Cu surface layer.

  8. Analysis of trimethoprim, lincomycin, sulfadoxin and tylosin in swine manure using laser diode thermal desorption-atmospheric pressure chemical ionization-tandem mass spectrometry.

    Science.gov (United States)

    Solliec, Morgan; Massé, Daniel; Sauvé, Sébastien

    2014-10-01

    A new extraction method coupled to a high throughput sample analysis technique was developed for the determination of four veterinary antibiotics. The analytes belong to different groups of antibiotics such as chemotherapeutics, sulfonamides, lincosamides and macrolides. Trimethoprim (TMP), sulfadoxin (SFX), lincomycin (LCM) and tylosin (TYL) were extracted from lyophilized manure using a sonication extraction. McIlvaine buffer and methanol (MeOH) were used as extraction buffers, followed by cation-exchange solid phase extraction (SPE) for clean-up. Analysis was performed by laser diode thermal desorption-atmospheric pressure chemical-ionization (LDTD-APCI) tandem mass spectrometry (MS/MS) with selected reaction monitoring (SRM) detection. The LDTD is a high throughput sample introduction method that reduces total analysis time to less than 15s per sample, compared to minutes when using traditional liquid chromatography (LC). Various SPE parameters were optimized after sample extraction: the stationary phase, the extraction solvent composition, the quantity of sample extracted and sample pH. LDTD parameters were also optimized: solvent deposition, carrier gas, laser power and corona discharge. The method limit of detection (MLD) ranged from 2.5 to 8.3 µg kg(-1) while the method limit of quantification (MLQ) ranged from 8.3 to 28µgkg(-1). Calibration curves in the manure matrix showed good linearity (R(2)≥ 0.996) for all analytes and the interday and intraday coefficients of variation were below 14%. Recoveries of analytes from manure ranged from 53% to 69%. The method was successfully applied to real manure samples. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Wipe selection for the analysis of surface materials containing chemical warfare agent nitrogen mustard degradation products by ultra-high pressure liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Willison, Stuart A

    2012-12-28

    Degradation products arising from nitrogen mustard chemical warfare agent were deposited on common urban surfaces and determined via surface wiping, wipe extraction, and liquid chromatography–tandem mass spectrometry detection. Wipes investigated included cotton gauze, glass fiber filter, non-woven polyester fiber and filter paper, and surfaces included several porous (vinyl tile, painted drywall, wood) and mostly non-porous (laminate, galvanized steel, glass) surfaces. Wipe extracts were analyzed by ultra-high pressure liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) and compared with high performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) results. An evaluation of both techniques suggests UPLC–MS/MS provides a quick and sensitive analysis of targeted degradation products in addition to being nearly four times faster than a single HPLC run, allowing for greater throughput during a wide-spread release concerning large-scale contamination and subsequent remediation events. Based on the overall performance of all tested wipes, filter paper wipes were selected over other wipes because they did not contain interferences or native species (TEA and DEA) associated with the target analytes, resulting in high percent recoveries and low background levels during sample analysis. Other wipes, including cotton gauze, would require a pre-cleaning step due to the presence of large quantities of native species or interferences of the targeted analytes. Percent recoveries obtained from a laminate surface were 47–99% for all nitrogen mustard degradation products. The resulting detection limits achieved from wipes were 0.2 ng/cm(2) for triethanolamine (TEA), 0.03 ng/cm(2) for N-ethyldiethanolamine (EDEA), 0.1 ng/cm(2) for N-methyldiethanolamine (MDEA), and 0.1 ng/cm(2) for diethanolamine (DEA).

  10. Analysis of epoxyeicosatrienoic acids by chiral liquid chromatography/electron capture atmospheric pressure chemical ionization mass spectrometry using [13C]-analog internal standards

    Science.gov (United States)

    Mesaros, Clementina; Lee, Seon Hwa; Blair, Ian A.

    2012-01-01

    The metabolism of arachidonic acid (AA) to epoxyeicosatrienoic acids (EETs) is thought to be mediated primarily by the cytochromes P450 (P450s) from the 2 family (2C9, 2C19, 2D6, and 2J2). In contrast, P450s of the 4 family are primarily involved in omega oxidation of AA (4A11 and 4A22). The ability to determine enantioselective formation of the regioisomeric EETs is important in order to establish their potential biological activities and to asses which P450 isoforms are involved in their formation. It has been extremely difficult to analyze individual EET enantiomers in biological fluids because they are present in only trace amounts and they are extremely difficult to separate from each other. In addition, the deuterium-labeled internal standards that are commonly used for stable isotope dilution liquid chromatography/mass spectrometry (LC/MS) analyses have different LC retention times when compared with the corresponding protium forms. Therefore, quantification by LC/MS-based methodology can be compromised by differential suppression of ionization of the closely eluting isomers. We report the preparation of [13C20]-EET analog internal standards and the use of a validated high-sensitivity chiral LC/electron capture atmospheric pressure chemical ionization (ECAPCI)-MS method for the trace analysis of endogenous EETs as their pentafluorobenzyl (PFB) ester derivatives. The assay was then used to show the exquisite enantioselectivity of P4502C19-, P4502D6-, P4501A1-, and P4501B1-mediated conversion of AA into EETs and to quantify the enantioselective formation of EETs produced by AA metabolism in a mouse epithelial hepatoma (Hepa) cell line. PMID:20972997

  11. Electrochemical performance of LiFePO4 modified by pressure-pulsed chemical vapor infiltration in lithium-ion batteries

    International Nuclear Information System (INIS)

    Li Jianling; Suzuki, Tomohiro; Naga, Kazuhisa; Ohzawa, Yoshimi; Nakajima, Tsuyoshi

    2007-01-01

    Using the pressure-pulsed chemical vapor infiltration (PCVI) technique, pyrolytic carbon (pyrocarbon) films were deposited on the surface of LiFePO 4 particles for cathode material of lithium-ion batteries. The electrochemical performance of the original LiFePO 4 and PCVIed LiFePO 4 materials was evaluated using a three electrodes cell by galvanostatic charging/discharging at 25, 40 and 55 deg. C, respectively. Morphology and structure of LiFePO 4 were analyzed by SEM, XRD and Raman. The resulting carbon contents at 500, 1000, 2000, 3000 and 5000 pulses were 2.7, 4.7, 9.5, 15.1 and 19.4%, respectively and these samples were abbreviated as 500P, 1000P, 2000P, 3000P and 5000P, respectively. All the PCVIed samples exhibited excellent rate performance. The tendency was more and more obvious with the increase of the current densities. The specific capacities of 500P, 1000P and 2000P were maintained at 117, 124 and 132 mAh g -1 , respectively, which were 120.8, 264.7 and 29.47% larger than those of corresponding original LiFePO 4 , respectively, at a 5C rate at 55 deg. C. The EIS measurement showed that electrochemical reaction resistance (R ct ) of PCVIed LiFePO 4 were obviously decreased, indicating a fast kinetics compared to the original LiFePO 4 . The cycle ability of the 2000P sample was tested at 25 deg. C and C/2 rate. The cell was cycled for 150 cycles and no obviously capacity fade was observed. Its specific capacity of 115 mAh g -1 at 150th cycle is 1.7 times higher than that of original LiFePO 4

  12. Phytoplankton Composition and Abundance in Restored Maltański Reservoir under the Influence of Physico-Chemical Variables and Zooplankton Grazing Pressure

    Science.gov (United States)

    Kozak, Anna; Gołdyn, Ryszard; Dondajewska, Renata

    2015-01-01

    In this paper we present the effects of environmental factors and zooplankton food pressure on phytoplankton in the restored man-made Maltański Reservoir (MR). Two methods of restoration: biomanipulation and phosphorus inactivation have been applied in the reservoir. Nine taxonomical groups of phytoplankton represented in total by 183 taxa were stated there. The richest groups in respect of taxa number were green algae, cyanobacteria and diatoms. The diatoms, cryptophytes, chrysophytes, cyanobacteria, green algae and euglenophytes dominated in terms of abundance and/or biomass. There were significant changes among environmental parameters resulting from restoration measures which influenced the phytoplankton populations in the reservoir. These measures led to a decrease of phosphorus concentration due to its chemical inactivation and enhanced zooplankton grazing as a result of planktivorous fish stocking. The aim of the study is to analyse the reaction of phytoplankton to the restoration measures and, most importantly, to determine the extent to which the qualitative and quantitative composition of phytoplankton depends on variables changing under the influence of restoration in comparison with other environmental variables. We stated that application of restoration methods did cause significant changes in phytoplankton community structure. The abundance of most phytoplankton taxa was negatively correlated with large zooplankton filter feeders, and positively with zooplankton predators and concentrations of ammonium nitrogen and partly of phosphates. However, restoration was insufficient in the case of decreasing phytoplankton abundance. The effects of restoration treatments were of less importance for the abundance of phytoplankton than parameters that were independent of the restoration. This was due to the continuous inflow of large loads of nutrients from the area of the river catchment. PMID:25906352

  13. GeSn growth kinetics in reduced pressure chemical vapor deposition from Ge2H6 and SnCl4

    Science.gov (United States)

    Aubin, J.; Hartmann, J. M.

    2018-01-01

    We have investigated the low temperature epitaxy of high Sn content GeSn alloys in a 200 mm industrial Reduced Pressure - Chemical Vapor Deposition tool from Applied Materials. Gaseous digermane (Ge2H6) and liquid tin tetrachloride (SnCl4) were used as the Ge and Sn precursors, respectively. The impact of temperature (in the 300-350 °C range), Ge2H6 and SnCl4 mass-flows on the GeSn growth kinetics at 100 Torr has been thoroughly explored. Be it at 300 °C or 325 °C, a linear GeSn growth rate increase together with a sub-linear Sn concentration increase occurred as the SnCl4 mass-flow increased, irrespective of the Ge2H6 mass flow (fixed or varying). The Sn atoms seemed to catalyze H desorption from the surface, resulting in higher GeSn growth rates for high SnCl4 mass-flows (in the 4-21 nm min-1 range). The evolution of the Sn content x with the F (SnCl4) 2 ·/F (Ge2H6) mass-flow ratio was fitted by x2/(1 - x) = n ·F (SnCl4) 2 ·/F (Ge2H6), with n = 0.25 (325 °C) and 0.60 (300 °C). We have otherwise studied the impact of temperature, in the 300-350 °C range, on the GeSn growth kinetics. The GeSn growth rate exponentially increased with the temperature, from 15 up to 32 nm min-1. The associated activation energy was low, i.e. Ea = 10 kcal mol-1. Meanwhile, the Sn content decreased linearly as the growth temperature increased, from 15% at 300 °C down to 6% at 350 °C.

  14. Electrochemical performance of LiFePO{sub 4} modified by pressure-pulsed chemical vapor infiltration in lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Li Jianling [Department of Physical Chemistry, University of Science and Technology Beijing, No. 30 College Road, Haidian District, Beijing 100083 (China); Department of Applied Chemistry, Aichi Institute of Technology, Yachigusa 1247, Yakusa-cho, Toyota 470-0392 (Japan)], E-mail: lijianling@metall.ustb.edu.cn; Suzuki, Tomohiro; Naga, Kazuhisa; Ohzawa, Yoshimi; Nakajima, Tsuyoshi [Department of Applied Chemistry, Aichi Institute of Technology, Yachigusa 1247, Yakusa-cho, Toyota 470-0392 (Japan)

    2007-09-25

    Using the pressure-pulsed chemical vapor infiltration (PCVI) technique, pyrolytic carbon (pyrocarbon) films were deposited on the surface of LiFePO{sub 4} particles for cathode material of lithium-ion batteries. The electrochemical performance of the original LiFePO{sub 4} and PCVIed LiFePO{sub 4} materials was evaluated using a three electrodes cell by galvanostatic charging/discharging at 25, 40 and 55 deg. C, respectively. Morphology and structure of LiFePO{sub 4} were analyzed by SEM, XRD and Raman. The resulting carbon contents at 500, 1000, 2000, 3000 and 5000 pulses were 2.7, 4.7, 9.5, 15.1 and 19.4%, respectively and these samples were abbreviated as 500P, 1000P, 2000P, 3000P and 5000P, respectively. All the PCVIed samples exhibited excellent rate performance. The tendency was more and more obvious with the increase of the current densities. The specific capacities of 500P, 1000P and 2000P were maintained at 117, 124 and 132 mAh g{sup -1}, respectively, which were 120.8, 264.7 and 29.47% larger than those of corresponding original LiFePO{sub 4}, respectively, at a 5C rate at 55 deg. C. The EIS measurement showed that electrochemical reaction resistance (R{sub ct}) of PCVIed LiFePO{sub 4} were obviously decreased, indicating a fast kinetics compared to the original LiFePO{sub 4}. The cycle ability of the 2000P sample was tested at 25 deg. C and C/2 rate. The cell was cycled for 150 cycles and no obviously capacity fade was observed. Its specific capacity of 115 mAh g{sup -1} at 150th cycle is 1.7 times higher than that of original LiFePO{sub 4}.

  15. Ultra-high performance supercritical fluid chromatography hyphenated to atmospheric pressure chemical ionization high resolution mass spectrometry for the characterization of fast pyrolysis bio-oils.

    Science.gov (United States)

    Crepier, Julien; Le Masle, Agnès; Charon, Nadège; Albrieux, Florian; Duchene, Pascal; Heinisch, Sabine

    2018-06-01

    Extensive characterization of complex mixtures requires the combination of powerful analytical techniques. A Supercritical Fluid Chromatography (SFC) method was previously developed, for the specific case of fast pyrolysis bio oils, as an alternative to gas chromatography (GC and GC × GC) or liquid chromatography (LC and LC × LC), both separation methods being generally used prior to mass spectrometry (MS) for the characterization of such complex matrices. In this study we investigated the potential of SFC hyphenated to high resolution mass spectrometry (SFC-HRMS) for this characterization using Negative ion Atmospheric Pressure Chemical ionization ((-)APCI) for the ionization source. The interface between SFC and (-)APCI/HRMS was optimized from a mix of model compounds with the objective of maximizing the signal to noise ratio. The main studied parameters included both make-up flow-rate and make-up composition. A methodology for the treatment of APCI/HRMS data is proposed. This latter allowed for the identification of molecular formulae. Both SFC-APCI/HRMS method and data processing method were applied to a mixture of 36 model compounds, first analyzed alone and then spiked in a bio-oil. In both cases, 19 compounds could be detected. Among them 9 could be detected in a fast pyrolysis bio-oil by targeted analysis. The whole procedure was applied to the characterization of a bio-oil using helpful representations such as mass-plots, van Krevelen diagrams and heteroatom class distributions. Finally the results were compared with those obtained with a Fourier Transform ion-cyclotron resonance mass spectrometer (FT-ICR/MS). Copyright © 2018 Elsevier B.V. All rights reserved.

  16. High pressure Raman spectroscopy of single-walled carbon nanotubes: Effect of chemical environment on individual nanotubes and the nanotube bundle

    Science.gov (United States)

    Proctor, John E.; Halsall, Matthew P.; Ghandour, Ahmad; Dunstan, David J.

    2006-12-01

    The pressure-induced tangential mode Raman peak shifts for single-walled carbon nanotubes (SWNTs) have been studied using a variety of different solvents as hydrostatic pressure-transmitting media. The variation in the nanotube response to hydrostatic pressure with different pressure transmitting media is evidence that the common solvents used are able to penetrate the interstitial spaces in the nanotube bundle. With hexane, we find the surprising result that the individual nanotubes appear unaffected by hydrostatic pressures (i.e. a flat Raman response) up to 0.7 GPa. Qualitatively similar results have been obtained with butanol. Following the approach of Amer et al. [J. Chem. Phys. 121 (2004) 2752], we speculate that this is due to the inability of SWNTs to adsorb some solvents onto their surface at lower pressures. We also find that the role of cohesive energy density in the solvent nanotube interaction is more complex than previously thought.

  17. Physical, chemical, current profile, water pressure, sea surface temperature, meteorological, and other data from current meters, bottle casts, pressure gauges, meteorological sensors, current meters, and other instruments from the ANDRE NIZERY and other platforms from the TOGA Area - Atlantic as part of the Seasonal Response of the Equatorial Atlantic Experiment/Francais Ocean Et Climat Dans L'Atlantique Equatorial (SEQUAL/FOCAL) project from 1964-01-01 to 1985-12-31 (NODC Accession 8700150)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Physical, chemical, current profile, water pressure, sea surface temperature, meteorological, and other data were collected from the ANDRE NIZERY and other platforms...

  18. Gas-solids kinetics of CuO/Al2O3 as an oxygen carrier for high-pressure chemical looping processes : the influence of the total pressure

    NARCIS (Netherlands)

    San Pio Bordeje, M.A.; Gallucci, F.; Roghair, I.; van Sint Annaland, M.

    2017-01-01

    Copper oxide on alumina is often used as oxygen carrier for chemical looping combustion owing to its very high reduction rates at lower temperatures and its very good mechanical and chemical stability at not too high temperatures. In this work, the redox kinetics of CuO/Al2O3 have been studied at

  19. Potential of atmospheric pressure chemical ionization source in gas chromatography tandem mass spectrometry for the screening of urinary exogenous androgenic anabolic steroids

    International Nuclear Information System (INIS)

    Raro, M.; Portolés, T.; Pitarch, E.; Sancho, J.V.; Hernández, F.; Garrostas, L.; Marcos, J.; Ventura, R.; Segura, J.; Pozo, O.J.

    2016-01-01

    The atmospheric pressure chemical ionization (APCI) source for gas chromatography-mass spectrometry analysis has been evaluated for the screening of 16 exogenous androgenic anabolic steroids (AAS) in urine. The sample treatment is based on the strategy currently applied in doping control laboratories i.e. enzymatic hydrolysis, liquid–liquid extraction (LLE) and derivatization to form the trimethylsilyl ether-trimethylsilyl enol ether (TMS) derivatives. These TMS derivatives are then analyzed by gas chromatography tandem mass spectrometry using a triple quadrupole instrument (GC-QqQ MS/MS) under selected reaction monitoring (SRM) mode. The APCI promotes soft ionization with very little fragmentation resulting, in most cases, in abundant [M + H] + or [M + H-2TMSOH] + ions, which can be chosen as precursor ions for the SRM transitions, improving in this way the selectivity and sensitivity of the method. Specificity of the transitions is also of great relevance, as the presence of endogenous compounds can affect the measurements when using the most abundant ions. The method has been qualitatively validated by spiking six different urine samples at two concentration levels each. Precision was generally satisfactory with RSD values below 25 and 15% at the low and high concentration level, respectively. Most the limits of detection (LOD) were below 0.5 ng mL −1 . Validation results were compared with the commonly used method based on the electron ionization (EI) source. EI analysis was found to be slightly more repeatable whereas lower LODs were found for APCI. In addition, the applicability of the developed method has been tested in samples collected after the administration of 4-chloromethandienone. The highest sensitivity of the APCI method for this compound, allowed to increase the period in which its administration can be detected. - Highlights: • APCI source has been evaluated for the screening of 16 exogenous AAS in urine. • Suitable precision was

  20. C and Si delta doping in Ge by CH{sub 3}SiH{sub 3} using reduced pressure chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Yuji, E-mail: yamamoto@ihp-microelectronics.com [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Ueno, Naofumi; Sakuraba, Masao [Laboratory for Nanoelectronics and Spintronics, Research Institute of Electrical Communication, Tohoku University, 2-1-1, Katahira, Aoba-Ku, Sendai 980-8577 (Japan); Murota, Junichi [Micro System Integration Center, Tohoku University, 519-1176, Aramaki aza Aoba, Aoba-ku, Sendai 980-0845 (Japan); Mai, Andreas [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Tillack, Bernd [IHP, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany); Technische Universität Berlin, HFT4, Einsteinufer 25, 10587 Berlin (Germany)

    2016-03-01

    C and Si delta doping in Ge are investigated using a reduced pressure chemical vapor deposition system to establish atomic-order controlled processes. CH{sub 3}SiH{sub 3} is exposed at 250 °C to 500 °C to a Ge on Si (100) substrate using H{sub 2} or N{sub 2} carrier gas followed by a Ge cap layer deposition. At 350 °C, C and Si are uniformly adsorbed on the Ge surface and the incorporated C and Si form steep delta profiles below detection limit of SIMS measurement. By using N{sub 2} as carrier gas, the incorporated C and Si doses in Ge are saturated at one mono-layer below 350 °C. At this temperature range, the incorporated C and Si doses are nearly the same, indicating CH{sub 3}SiH{sub 3} is adsorbed on the Ge surface without decomposing the C−Si bond. On the other hand, by using H{sub 2} as carrier gas, lower incorporated C is observed in comparison to Si. CH{sub 3}SiH{sub 3} injected with H{sub 2} carrier gas is adsorbed on Ge without decomposing the C−Si bond and the adsorbed C is reduced by dissociation of the C−Si bond during temperature ramp up to 550 °C. The adsorbed C is maintained on the Ge surface in N{sub 2} at 550 °C. - Highlights: • C and Si delta doping in Ge is investigated using RPCVD system by CH{sub 3}SiH{sub 3} exposure. • Atomically flat C and Si delta layers are fabricated at 350 °C. • Incorporated C and Si doses are saturated at one mono-layer below 350 °C. • CH{sub 3}SiH{sub 3} adsorption occurred without decomposing C−Si bond. • Adsorbed C is desorbed due to dissociation by hydrogen during postannealing at 550 °C.

  1. Thorough Chemical Decontamination with the MEDOC Process : Batch Treatment of Dismantled Pieces or Loop Treatment of Large Components Such as the BR3 Steam Generator and Pressurizer

    International Nuclear Information System (INIS)

    Ponnet, M.; Klein, M.; Massaut, V.; Davain, H.; Aleton, G.

    2003-01-01

    The dismantling of the BR3-PWR reactor leads to the production of large masses of contaminated metallic pieces, including structural materials, primary pipings, tanks and heat exchangers. One of our main objectives is to demonstrate that we can minimize the volume of radioactive waste in an economical way, by the use of alternative waste routes, such as the clearance of materials after thorough decontamination. The SCKoCEN uses its own developed chemical decontamination process, so-called MEDOC (Metal Decontamination by Oxidation with Cerium), based on the use of cerium IV as strong oxidant in sulphuric acid with continuous regeneration using ozone. An industrial installation has been designed and constructed in close collaboration with Framatome-ANP (France). This installation started operation in September 1999 for the treatment of the metallic pieces arising from the dismantling of the BR3 reactor. Since then, more than 25 tons of contaminated material including primary pipes have been treated batchwise with success. 75 % of material could be directly cleared after treatment (Activity lower than 0.1 Bq/g for 60Co) and the other 25% free released after melting activity. The SCKoCEN performed in April 2002 the closed loop decontamination of the BR3 Steam Generator by connection of the MEDOC plant after few adaptations. The decontamination was done within 30 cycles in 3 weeks with consecutive steps like decontamination steps (injection of the solution into the SG) and regeneration steps with ozone. In total, 60 hours of decontamination at 70 C and 130 hours of regeneration were needed to reach the objectives. The tube bundle (600 m2) was attacked and about 10 (micro)m representing more than 41 kg of stainless steel and 2.06 GBq of 60Co was dissolved into the solution. The residual contamination measurements made directly into the water box are still going on, however it seems that the objective to reach the free release criteria after melting is achieved. The next

  2. Determination of eight nitrosamines in water at the ng L-1 levels by liquid chromatography coupled to atmospheric pressure chemical ionization tandem mass spectrometry

    International Nuclear Information System (INIS)

    Ripolles, Cristina; Pitarch, Elena; Sancho, Juan V.; Lopez, Francisco J.; Hernandez, Felix

    2011-01-01

    Highlights: · Eight N-nitrosamines in water by LC(APCI)MS/MS QqQ analysis. · Validation at two levels: 10 ng L -1 (LOQ) and 100 ng L -1 in drinking water. · Developed method applied to different types of water samples. · NDMA was the analyte more frequently detected and at the highest concentration levels. - Abstract: In this work, we have developed a sensitive method for detection and quantification of eight N-nitrosamines, N-nitrosodimethylamine (NDMA), N-nitrosomorpholine (NMor), N-nitrosomethylethylamine (NMEA), N-nitrosopirrolidine (NPyr), N-nitrosodiethylamine (NDEA), N-nitrosopiperidine (NPip), N-nitroso-n-dipropylamine (NDPA) and N-nitrosodi-n-butylamine (NDBA) in drinking water. The method is based on liquid chromatography coupled to tandem mass spectrometry, using atmospheric pressure chemical ionization (APCI) in positive mode with a triple quadrupole analyzer (QqQ). The simultaneous acquisition of two MS/MS transitions in selected reaction monitoring mode (SRM) for each compound, together with the evaluation of their relative intensity, allowed the simultaneous quantification and reliable identification in water at ppt levels. Empirical formula of the product ions selected was confirmed by UHPLC-(Q)TOF MS accurate mass measurements from reference standards. Prior to LC-MS/MS QqQ analysis, a preconcentration step by off-line SPE using coconut charcoal EPA 521 cartridges (by passing 500 mL of water sample) was necessary to improve the sensitivity and to meet regulation requirements. For accurate quantification, two isotope labelled nitrosamines (NDMA-d 6 and NDPA-d 14 ) were added as surrogate internal standards to the samples. The optimized method was validated at two concentration levels (10 and 100 ng L -1 ) in drinking water samples, obtaining satisfactory recoveries (between 90 and 120%) and precision (RSD -1 . The described methodology has been applied to different types of water samples: chlorinated from drinking water and wastewater treatment

  3. Determination of eight nitrosamines in water at the ng L{sup -1} levels by liquid chromatography coupled to atmospheric pressure chemical ionization tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ripolles, Cristina; Pitarch, Elena; Sancho, Juan V; Lopez, Francisco J [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellon (Spain); Hernandez, Felix [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellon (Spain)

    2011-09-19

    Highlights: {center_dot} Eight N-nitrosamines in water by LC(APCI)MS/MS QqQ analysis. {center_dot} Validation at two levels: 10 ng L{sup -1} (LOQ) and 100 ng L{sup -1} in drinking water. {center_dot} Developed method applied to different types of water samples. {center_dot} NDMA was the analyte more frequently detected and at the highest concentration levels. - Abstract: In this work, we have developed a sensitive method for detection and quantification of eight N-nitrosamines, N-nitrosodimethylamine (NDMA), N-nitrosomorpholine (NMor), N-nitrosomethylethylamine (NMEA), N-nitrosopirrolidine (NPyr), N-nitrosodiethylamine (NDEA), N-nitrosopiperidine (NPip), N-nitroso-n-dipropylamine (NDPA) and N-nitrosodi-n-butylamine (NDBA) in drinking water. The method is based on liquid chromatography coupled to tandem mass spectrometry, using atmospheric pressure chemical ionization (APCI) in positive mode with a triple quadrupole analyzer (QqQ). The simultaneous acquisition of two MS/MS transitions in selected reaction monitoring mode (SRM) for each compound, together with the evaluation of their relative intensity, allowed the simultaneous quantification and reliable identification in water at ppt levels. Empirical formula of the product ions selected was confirmed by UHPLC-(Q)TOF MS accurate mass measurements from reference standards. Prior to LC-MS/MS QqQ analysis, a preconcentration step by off-line SPE using coconut charcoal EPA 521 cartridges (by passing 500 mL of water sample) was necessary to improve the sensitivity and to meet regulation requirements. For accurate quantification, two isotope labelled nitrosamines (NDMA-d{sub 6} and NDPA-d{sub 14}) were added as surrogate internal standards to the samples. The optimized method was validated at two concentration levels (10 and 100 ng L{sup -1}) in drinking water samples, obtaining satisfactory recoveries (between 90 and 120%) and precision (RSD < 20%). Limits of detection were found to be in the range of 1-8 ng L{sup -1

  4. Potential of atmospheric pressure chemical ionization source in gas chromatography tandem mass spectrometry for the screening of urinary exogenous androgenic anabolic steroids

    Energy Technology Data Exchange (ETDEWEB)

    Raro, M.; Portolés, T.; Pitarch, E.; Sancho, J.V.; Hernández, F. [Research Institute for Pesticides and Water, University Jaume I, E-12071 Castellón (Spain); Garrostas, L. [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain); Marcos, J.; Ventura, R.; Segura, J. [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain); Department of Experimental and Health Sciencies, Universitat Pompeu Fabra, Doctor Aiguader 88, 08003 Barcelona (Spain); Pozo, O.J., E-mail: opozo@imim.es [Bioanalysis Research Group, IMIM, Hospital del Mar Medical Research Institute, Doctor Aiguader 88, 08003 Barcelona (Spain)

    2016-02-04

    The atmospheric pressure chemical ionization (APCI) source for gas chromatography-mass spectrometry analysis has been evaluated for the screening of 16 exogenous androgenic anabolic steroids (AAS) in urine. The sample treatment is based on the strategy currently applied in doping control laboratories i.e. enzymatic hydrolysis, liquid–liquid extraction (LLE) and derivatization to form the trimethylsilyl ether-trimethylsilyl enol ether (TMS) derivatives. These TMS derivatives are then analyzed by gas chromatography tandem mass spectrometry using a triple quadrupole instrument (GC-QqQ MS/MS) under selected reaction monitoring (SRM) mode. The APCI promotes soft ionization with very little fragmentation resulting, in most cases, in abundant [M + H]{sup +} or [M + H-2TMSOH]{sup +} ions, which can be chosen as precursor ions for the SRM transitions, improving in this way the selectivity and sensitivity of the method. Specificity of the transitions is also of great relevance, as the presence of endogenous compounds can affect the measurements when using the most abundant ions. The method has been qualitatively validated by spiking six different urine samples at two concentration levels each. Precision was generally satisfactory with RSD values below 25 and 15% at the low and high concentration level, respectively. Most the limits of detection (LOD) were below 0.5 ng mL{sup −1}. Validation results were compared with the commonly used method based on the electron ionization (EI) source. EI analysis was found to be slightly more repeatable whereas lower LODs were found for APCI. In addition, the applicability of the developed method has been tested in samples collected after the administration of 4-chloromethandienone. The highest sensitivity of the APCI method for this compound, allowed to increase the period in which its administration can be detected. - Highlights: • APCI source has been evaluated for the screening of 16 exogenous AAS in urine. • Suitable

  5. Validation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionization

    Energy Technology Data Exchange (ETDEWEB)

    Portolés, T. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Mol, J.G.J. [RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Sancho, J.V.; López, Francisco J. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); Hernández, F., E-mail: hernandf@uji.es [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain)

    2014-08-01

    Highlights: • Applicability of GC-(APCI)QTOF MS as new tool for wide-scope screening of pesticides in fruits and vegetables demonstrated. • Validation of screening method according to SANCO/12571/2013. • Detection of the pesticides based on the presence of M+·/MH+ in most cases. • Screening detection limit 0.01 mg kg{sup −1} for 77% of the pesticides investigated. • Successful identification at 0.01 mg kg{sup −1} for 70% of the pesticides/matrix combinations. - Abstract: A wide-scope screening method was developed for the detection of pesticides in fruit and vegetables. The method was based on gas chromatography coupled to a hybrid quadrupole time-of-flight mass spectrometer with an atmospheric pressure chemical ionization source (GC-(APCI)QTOF MS). A non-target acquisition was performed through two alternating scan events: one at low collision energy and another at a higher collision energy ramp (MS{sup E}). In this way, both protonated molecule and/or molecular ion together with fragment ions were obtained in a single run. Validation was performed according to SANCO/12571/2013 by analysing 20 samples (10 different commodities in duplicate), fortified with a test set of 132 pesticides at 0.01, 0.05 and 0.20 mg kg{sup −1}. For screening, the detection was based on one diagnostic ion (in most cases the protonated molecule). Overall, at the 0.01 mg kg{sup −1} level, 89% of the 2620 fortifications made were detected. The screening detection limit for individual pesticides was 0.01 mg kg{sup −1} for 77% of the pesticides investigated. The possibilities for identification according to the SANCO criteria, requiring two ions with a mass accuracy ≤±5 ppm and an ion-ratio deviation ≤±30%, were investigated. At the 0.01 mg kg{sup −1} level, identification was possible for 70% of the pesticides detected during screening. This increased to 87% and 93% at the 0.05 and 0.20 mg kg{sup −1} level, respectively. Insufficient sensitivity for the second

  6. High temperature and low pressure chemical vapor deposition of silicon nitride on AlGaN: Band offsets and passivation studies

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, Pramod; Washiyama, Shun; Kaess, Felix; Hernandez-Balderrama, Luis H.; Haidet, Brian B.; Alden, Dorian; Franke, Alexander; Sarkar, Biplab; Kohn, Erhard; Collazo, Ramon; Sitar, Zlatko [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States); Hayden Breckenridge, M. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States); REU, Physics Department at Wofford College, Spartanburg, South Carolina 29303 (United States)

    2016-04-14

    In this work, we employed X-ray photoelectron spectroscopy to determine the band offsets and interface Fermi level at the heterojunction formed by stoichiometric silicon nitride deposited on Al{sub x}Ga{sub 1-x}N (of varying Al composition “x”) via low pressure chemical vapor deposition. Silicon nitride is found to form a type II staggered band alignment with AlGaN for all Al compositions (0 ≤ x ≤ 1) and present an electron barrier into AlGaN even at higher Al compositions, where E{sub g}(AlGaN) > E{sub g}(Si{sub 3}N{sub 4}). Further, no band bending is observed in AlGaN for x ≤ 0.6 and a reduced band bending (by ∼1 eV in comparison to that at free surface) is observed for x > 0.6. The Fermi level in silicon nitride is found to be at 3 eV with respect to its valence band, which is likely due to silicon (≡Si{sup 0/−1}) dangling bonds. The presence of band bending for x > 0.6 is seen as a likely consequence of Fermi level alignment at Si{sub 3}N{sub 4}/AlGaN hetero-interface and not due to interface states. Photoelectron spectroscopy results are corroborated by current-voltage-temperature and capacitance-voltage measurements. A shift in the interface Fermi level (before band bending at equilibrium) from the conduction band in Si{sub 3}N{sub 4}/n-GaN to the valence band in Si{sub 3}N{sub 4}/p-GaN is observed, which strongly indicates a reduction in mid-gap interface states. Hence, stoichiometric silicon nitride is found to be a feasible passivation and dielectric insulation material for AlGaN at any composition.

  7. Effects of H2 High-pressure Annealing on HfO2/Al2O3/In0.53Ga0.47As Capacitors: Chemical Composition and Electrical Characteristics.

    Science.gov (United States)

    Choi, Sungho; An, Youngseo; Lee, Changmin; Song, Jeongkeun; Nguyen, Manh-Cuong; Byun, Young-Chul; Choi, Rino; McIntyre, Paul C; Kim, Hyoungsub

    2017-08-29

    We studied the impact of H 2 pressure during post-metallization annealing on the chemical composition of a HfO 2 /Al 2 O 3 gate stack on a HCl wet-cleaned In 0.53 Ga 0.47 As substrate by comparing the forming gas annealing (at atmospheric pressure with a H 2 partial pressure of 0.04 bar) and H 2 high-pressure annealing (H 2 -HPA at 30 bar) methods. In addition, the effectiveness of H 2 -HPA on the passivation of the interface states was compared for both p- and n-type In 0.53 Ga 0.47 As substrates. The decomposition of the interface oxide and the subsequent out-diffusion of In and Ga atoms toward the high-k film became more significant with increasing H 2 pressure. Moreover, the increase in the H 2 pressure significantly improved the capacitance‒voltage characteristics, and its effect was more pronounced on the p-type In 0.53 Ga 0.47 As substrate. However, the H 2 -HPA induced an increase in the leakage current, probably because of the out-diffusion and incorporation of In/Ga atoms within the high-k stack.

  8. Determination of Water Vapor Pressure Over Corrosive Chemicals Versus Temperature Using Raman Spectroscopy as Exemplified with 85.5% Phosphoric Acid

    DEFF Research Database (Denmark)

    Rodier, Marion; Li, Qingfeng; Berg, Rolf W.

    2016-01-01

    A method to determine the water vapor pressure over a corrosive substance was developed and tested with 85.5 ± 0.4% phosphoric acid. The water vapor pressure was obtained at a range of temperatures from ∼25 ℃ to ∼200 ℃ using Raman spectrometry. The acid was placed in an ampoule and sealed...... with a reference gas (either hydrogen or methane) at a known pressure (typically ∼0.5 bar). By comparing the Raman signals from the water vapor and the references, the water pressure was determined as a function of temperature. A considerable amount of data on the vapor pressure of phosphoric acid are available...... in the literature, to which our results could successfully be compared. A record value of the vapor pressure, 3.40 bar, was determined at 210 ℃. The method required a determination of the precise Raman scattering ratios between the substance, water, and the used reference gas, hydrogen or methane. In our case...

  9. Pressurized Vessel Slurry Pumping

    International Nuclear Information System (INIS)

    Pound, C.R.

    2001-01-01

    This report summarizes testing of an alternate ''pressurized vessel slurry pumping'' apparatus. The principle is similar to rural domestic water systems and ''acid eggs'' used in chemical laboratories in that material is extruded by displacement with compressed air

  10. Atmospheric Pressure Photoionization Tandem Mass Spectrometry of Androgens in Prostate Cancer

    Science.gov (United States)

    Lih, Fred Bjørn; Titus, Mark A.; Mohler, James L.; Tomer, Kenneth B.

    2010-01-01

    Androgen deprivation therapy is the most common treatment option for advanced prostate cancer. Almost all prostate cancers recur during androgen deprivation therapy, and new evidence suggests that androgen receptor activation persists despite castrate levels of circulating androgens. Quantitation of tissue levels of androgens is critical to understanding the mechanism of recurrence of prostate cancer during androgen deprivation therapy. A liquid chromatography atmospheric pressure photoionization tandem mass spectrometric method was developed for quantitation of tissue levels of androgens. Quantitation of the saturated keto-steroids dihydrotestosterone and 5-α-androstanedione required detection of a novel parent ion, [M + 15]+. The nature of this parent ion was explored and the method applied to prostate tissue and cell culture with comparison to results achieved using electrospray ionization. PMID:20560527

  11. The accuracy of the crystal chemical parameters at high-pressure conditions from single-crystal X-ray diffraction in diamond-anvil cell

    DEFF Research Database (Denmark)

    Periotto, Benedetta

    -ray instruments. At the same time, the high-pressure experiments have benefited by the strong improvements on the high-pressure devices, in particular the diamond-anvil cell (DAC). The aim of this research project is to assess the quality of the data obtained by means of the single-crystal X-ray diffraction...... technique through the study of different mineral phases. The procedure for setting up an experiment under high-pressure conditions, using a single crystal as sample held within a DAC, are presented here with all the details of the in situ measurements at high-pressure conditions. The research project...... started with a comparison between two different DACs, in order to define the capabilities of one of the most common types of pressure device, the ETH-type DAC. Application examples of data quality analysis have been conducted on pyroxenes (NaInSi2O6, orthoenstatite MgSiO3 and LiCrSi2O6), which...

  12. Quantum chemical study of the nature of the ground state and the pressure-induced spin transition in CaFeO3

    NARCIS (Netherlands)

    Sadoc, Aymeric; de Graaf, Coen; Broer, Ria

    Ab initio calculations have been performed to clarify the character of the electronic ground state of the high-temperature phase of CaFeO3 at different external pressures. The analysis of the correlated N-electron wave function of properly embedded FeO6 clusters in terms of optimal atomic orbitals

  13. Physical and chemical properties of Nam Prig Noom, a Thai green-chili paste, following ultra-high pressure and thermal processes

    Science.gov (United States)

    Apichartsrangkoon, Arunee; Srisajjalertwaja, Siriwan; Chaikham, Pittaya; Hirun, Sathira

    2013-03-01

    A study of processing green-chili pastes (Nam Prig Noom) by pressurization (100-600 MPa/30-50°C/20 min), pasteurization (90°C/3-5 min) or sterilization (121°C/4 min), subsequently, their physical, biochemical and microbiological qualities as well as the sensory acceptance were assessed. It was found that pressure at low levels (100-300 MPa) could improve activities of enzyme peroxidase (POD), polyphenoloxidase (PPO) and lypoxygenase (LOX) in the chili paste by more than 100%, while pressures above 500 or 300 MPa combined with heat would significantly inactivate these enzyme activities. Both color parameters and enzyme activities illustrated that though some enzymatic browning occurred with the pressurized products indicated by b* (yellowish) parameter, the magnitude of these browning was still milder than those thermally treated products indicated by-a* (greenness) and L (lightness) parameters, presumably as a consequence of the Maillard reaction. Moreover, the sensory scores were found in accordance with color parameters, firmness and capsaicin contents.

  14. Chemical, temperature, pressure, and salinity data from bottle and CTD casts in the Arabian Sea as part of the Joint Global Ocean Flux Study / Arabian Sea Process Studies (JGOFS/Arabian) project, from 1995-07-17 to 1995-09-15 (NODC Accession 9800037)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Chemical, temperature, pressure, and salinity data were collected using bottle and CTD casts from the R/V Thomas G. Thompson in the Arabian Sea. Data were collected...

  15. Influence of drying methods and agronomic variables on the chemical composition of mate tea leaves (Ilex paraguariensis A. St.-Hil) obtained from high-pressure CO2 extraction.

    Science.gov (United States)

    Jacques, Rosângela Assis; Krause, Laiza Canielas; Freitas, Lisiane dos Santos; Dariva, Cláudio; Oliveira, J Vladimir; Caramão, Elina Bastos

    2007-12-12

    The main objective of this work is to assess the influence of two drying methods (microwave and vacuum oven) and some agronomic variables (plant fertilization conditions and sunlight intensity) on the characteristics of mate tea (Ilex paraguariensis) leaves extracts obtained from high-pressure carbon dioxide extractions performed in the temperature range from 20 to 40 degrees C and from 100 to 250 bar. Samples of mate were collected in an experiment conducted under agronomic control at Ervateira Barão LTDA, Brazil. Chemical distribution of the extracts was evaluated by gas chromatography coupled with a mass spectrometer detector (GC/MS). In addition to extraction variables, results showed that both sample drying methods and agronomic conditions exert a pronounced influence on the extraction yield and on the chemical distribution of the extracts.

  16. Structure and chemical composition changes of Pd-rod and reaction product collector irradiated by 10 MeV braking gamma quanta inside high pressure chamber filled with 2.5 kbar molecular hydrogen

    International Nuclear Information System (INIS)

    Didyk, A.Yu.; Wisniewski, R.

    2013-01-01

    A research of the elemental composition and surface structure of a Pd rod saturated with hydrogen and a brass collector of nuclear and chemical reaction products irradiated by 10 MeV braking gamma quanta in dense molecular hydrogen gas at 2.5 kbar pressure is carried out. The changes of the elemental composition and surface structure of the Pd rod and collector similar to analogous changes in the experiment carried out in dense gas deuterium are observed. Possible explanations of the firstly observed phenomenon are offered

  17. The Use of Atmospheric Pressure Chemical Ionization Mass Spectrometry with High Performance Liquid Chromatography and Other Separation Techniques for Identification of Triacylglycerols

    Czech Academy of Sciences Publication Activity Database

    Řezanka, Tomáš; Sigler, Karel

    2007-01-01

    Roč. 3, - (2007), s. 252-271 ISSN 1573-4110 R&D Projects: GA ČR GA203/06/0219 Institutional research plan: CEZ:AV0Z50200510 Keywords : triacylglycerols * atmospheric presssure chemical ionization * mass spectrometry Subject RIV: EE - Microbiology, Virology Impact factor: 1.815, year: 2007

  18. Chemical Reactions Between Fe and H2O up to Megabar Pressures and Implications for Water Storage in the Earth's Mantle and Core

    Science.gov (United States)

    Yuan, Liang; Ohtani, Eiji; Ikuta, Daijo; Kamada, Seiji; Tsuchiya, Jun; Naohisa, Hirao; Ohishi, Yasuo; Suzuki, Akio

    2018-02-01

    We investigated the phase relations of the Fe-H2O system at high pressures based on in situ X-ray diffraction experiments and first-principles calculations and demonstrate that FeHx and FeO are present at pressures less than 78 GPa. A recently reported pyrite-structured FeO2 was identified in the Fe-H2O system at pressures greater than 78 GPa after laser heating. The phase observed in this study has a unit cell volume 8%-11% larger than that of FeO2, produced in the Fe-O binary system reported previously, suggesting that hydrogen might be retained in a FeO2Hx crystal structure. Our observations indicate that H2O is likely introduced into the deep Earth through reaction between iron and water during the accretion and separation of the metallic core. Additionally, reaction between Fe and H2O would occur at the core-mantle boundary, given water released from hydrous subducting slabs that intersect with the metallic core. Accumulation of volatile-bearing iron compounds may provide new insights into the enigmatic seismic structures observed at the base of the lower mantle.

  19. A thermodynamic and kinetic study of the de- and rehydration of Ca(OH){sub 2} at high H{sub 2}O partial pressures for thermo-chemical heat storage

    Energy Technology Data Exchange (ETDEWEB)

    Schaube, F.; Koch, L. [German Aerospace Center, Institute of Technical Thermodynamics, Pfaffenwaldring 38-40, 70569 Stuttgart (Germany); Woerner, A., E-mail: antje.woerner@dlr.de [German Aerospace Center, Institute of Technical Thermodynamics, Pfaffenwaldring 38-40, 70569 Stuttgart (Germany); Mueller-Steinhagen, H. [German Aerospace Center, Institute of Technical Thermodynamics, Pfaffenwaldring 38-40, 70569 Stuttgart (Germany)

    2012-06-20

    Highlights: Black-Right-Pointing-Pointer Investigation of the thermodynamic equilibrium and reaction enthalpy of 'Ca(OH){sub 2} {r_reversible} CaO + H{sub 2}O'. Black-Right-Pointing-Pointer Investigation of the reaction kinetics of the dehydration of Ca(OH){sub 2} at partial pressures up to 956 mbar. Black-Right-Pointing-Pointer Investigation of the reaction kinetics of the rehydration of Ca(OH){sub 2} at partial pressures up to 956 mbar. - Abstract: Heat storage technologies are used to improve energy efficiency of power plants and recovery of process heat. Storing thermal energy by reversible thermo-chemical reactions offers a promising option for high storage capacities especially at high temperatures. Due to its low material cost, the use of the reversible reaction Ca(OH){sub 2} Rightwards-Harpoon-Over-Leftwards-Harpoon CaO + H{sub 2}O has been proposed. This paper reports on the physical properties such as heat capacity, thermodynamic equilibrium, reaction enthalpy and kinetics. To achieve high reaction temperatures, high H{sub 2}O partial pressures are required. Therefore the cycling stability is confirmed for H{sub 2}O partial pressures up to 95.6 kPa and the dehydration and hydration kinetics are studied. Quantitative data are collected and expressions are derived which are in good agreement with the presented measurements. At 1 bar H{sub 2}O partial pressure the expected equilibrium temperature is 505 Degree-Sign C and the reaction enthalpy is 104.4 kJ/mol.

  20. Chemical cosmology

    CERN Document Server

    Boeyens, Jan CA

    2010-01-01

    The composition of the most remote objects brought into view by the Hubble telescope can no longer be reconciled with the nucleogenesis of standard cosmology and the alternative explanation, in terms of the LAMBDA-Cold-Dark-Matter model, has no recognizable chemical basis. A more rational scheme, based on the chemistry and periodicity of atomic matter, opens up an exciting new interpretation of the cosmos in terms of projective geometry and general relativity. The response of atomic structure to environmental pressure predicts non-Doppler cosmical redshifts and equilibrium nucleogenesis by alp

  1. Increased projection of MHC and tumor antigens in murine B16-BL6 melanoma induced by hydrostatic pressure and chemical crosslinking.

    Science.gov (United States)

    Ramakrishna, V; Eisenthal, A; Skornick, Y; Shinitzky, M

    1993-05-01

    The B16-BL6 melanoma, like most spontaneously arising tumors, is poorly immunogenic and expresses low levels of major histocompatibility complex (MHC) antigens. Treatment of cells of this tumor in vitro by hydrostatic pressure in the presence of adenosine 2',3'-dialdehyde (oxAdo), a membrane-impermeant crosslinker, caused elevated projection of MHC and a specific tumor antigen as demonstrated by flow-cytometric analysis. Maximum projection of both the MHC and the tumor antigens could be reached by application of 1200 atm for 15 min in the presence of 20 mM oxAdo. It is not yet clear whether this passive increase in availability of antigens on the cell surface originated from a dormant pool of antigens in the plasma membrane or from pressure-induced fusion of antigen-rich intracellular organelles (e.g. the endoplasmic reticulum). The immunogenic properties of the antigen-enriched B16-BL6 cells are described in the following paper.

  2. Morphologic and Chemical Properties of PMMA/ATH Layers with Enhanced Abrasion Resistance Realised by Cold Plasma Spraying at Atmospheric Pressure

    Directory of Open Access Journals (Sweden)

    L. Wallenhorst

    2018-01-01

    Full Text Available This study investigated the morphologic and chemical properties of coatings based on PMMA/ATH powder and deposited by cold plasma spraying on wood and glass. Since the deposition of pure PMMA/ATH powder with air as process gas yielded coatings with insufficient abrasion resistance, two modifications of the basic process were investigated. Previous studies showed that replacing air as process gas with forming gas did not enhance the abrasion resistance, but the addition of a phenol-formaldehyde resin (PF succeeded in stabilising the particle coatings. In this work, results from morphologic and chemical analysis suggested an encasement of the PMMA/ATH particles by plasma-modified PF and thus a fusion of individual particles, explaining the enhanced bonding. Moreover, adhesion tests confirmed an outstanding bonding between the coating and wood as well as glass, which is assumed to result from interactions between the PF’s hydroxyl groups and functional groups on the substrates’ surfaces. Studies on the wettability revealed a hydrophobic character of such coatings, therefore generally indicating a possible application, for example, to reduce water uptake by wooden materials.

  3. Flavor release measurement by atmospheric pressure chemical ionization ion trap mass spectrometry, construction of interface and mathematical modeling of release profiles

    DEFF Research Database (Denmark)

    Haahr, Anne-Mette; Madsen, Henrik; Smedsgaard, Jørn

    2003-01-01

    and the method can be used to measure breath from the nose. A mathematical model of the data was developed to give a quantitative method for description and characterization of the release of flavor compounds. The release profiles consisted of two sequences, one for a chewing period, and one for a phasing out...... process. The proposed method for modeling provided a reasonable description of the release process. In addition to flavor compounds, this new interface and mathematical application could provide information on chemicals in the human breath which could be interesting, for example, within medical diagnosis....... with that of the flavor detection threshold. An application study on the release of menthone and menthol from chewing gum by a group of six test persons was performed. Flavored chewing gum was used as a model matrix because of the long chewing periods and the simplicity of the system. It is concluded that the interface...

  4. Preliminary Investigation on the Useful Chemicals obtained from High-Temperature and High-Pressure Water Treatment of Hinoki (Chamaecyparis Obutus Bark

    Directory of Open Access Journals (Sweden)

    Hiroyuki Daimon

    2010-12-01

    Full Text Available The possibility of utilizing residual forest biomass to produce valuable chemicals was investigated. An outer layer of a bark of Hinoki (Chamaecyparis obutusa tree, a Japanese cypress, was used as a sample material. Experiments were carried out in a semibatch reactor apparatus that allows the study of the effect of reaction temperatures in a single run. Analysis of the products by GC-MS reveals formation of useful compounds such as furfural, some aromatic compounds (1,3-di-tert-butyl benzene and 2,4-di-tert-butyl phenol, and fatty acids (myristic acid, palmitic acid and stearic acid. Keywords: fatty acids, furfural, high temperature water treatment, hinoki, residual biomass

  5. From chemical mapping to pressure temperature deformation micro-cartography: mineralogical evolution and mass transport in thermo-mechanic disequilibrium systems: application to meta-pelites and confinement nuclear waste materials

    International Nuclear Information System (INIS)

    Andrade, V. de

    2006-03-01

    The mineralogical composition of metamorphic rocks or industrial materials evolves when they are submitted to thermomechanical disequilibria, i.e. a spatial or temporal pressure and temperature evolution, or chemical disequilibria as variations in redox conditions, pH... For example, during low temperature metamorphic processes, rocks re-equilibrate only partially, and thus record locally thermodynamic equilibria increasing so the spatial chemical heterogeneities. Understanding the P-T evolution of such systems and deciphering modalities of their mineralogical transformation imply to recognize and characterize the size of these local 'paleo-equilibria', and so to have a spatial chemical information at least in 2 dimensions. In order to get this information, microprobe X-ray fluorescence maps have been used. Computer codes have been developed with Matlab to quantify these maps in view of thermo-barometric estimations. In this way, P-T maps of mineral crystallisation were produced using the multi-equilibria thermodynamic technique. Applications on two meta-pelites from the Sambagawa blue-schist belt (Japan) and from the Caledonian eclogitic zone in Spitsbergen, show that quantitative chemical maps are a powerful tool to retrieve the metamorphic history of rocks. From these chemical maps have been derived maps of P-T-time-redox-deformation that allow to characterize P-T conditions of minerals formation, and so, the P-T path of the sample, the oxidation state of iron in the chlorite phase. As a result, we underline the relation between deformation and crystallisation, and propose a relative chronology of minerals crystallisation and deformations. The Fe 3+ content map in chlorite calculated by thermodynamic has also been validated by a μ-XANES mapping at the iron K-edge measured at the ESRF (ID24) using an innovative method. Another application relates to an experimental study of clay materials, main components of an analogical model of a nuclear waste storage site

  6. Determining the microwave coupling and operational efficiencies of a microwave plasma assisted chemical vapor deposition reactor under high pressure diamond synthesis operating conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nad, Shreya [Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824 (United States); Gu, Yajun; Asmussen, Jes [Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824 (United States)

    2015-07-15

    The microwave coupling efficiency of the 2.45 GHz, microwave plasma assisted diamond synthesis process is investigated by experimentally measuring the performance of a specific single mode excited, internally tuned microwave plasma reactor. Plasma reactor coupling efficiencies (η) > 90% are achieved over the entire 100–260 Torr pressure range and 1.5–2.4 kW input power diamond synthesis regime. When operating at a specific experimental operating condition, small additional internal tuning adjustments can be made to achieve η > 98%. When the plasma reactor has low empty cavity losses, i.e., the empty cavity quality factor is >1500, then overall microwave discharge coupling efficiencies (η{sub coup}) of >94% can be achieved. A large, safe, and efficient experimental operating regime is identified. Both substrate hot spots and the formation of microwave plasmoids are eliminated when operating within this regime. This investigation suggests that both the reactor design and the reactor process operation must be considered when attempting to lower diamond synthesis electrical energy costs while still enabling a very versatile and flexible operation performance.

  7. The effect of ethanol on the formation and physico-chemical properties of particles generated from budesonide solution-based pressurized metered-dose inhalers.

    Science.gov (United States)

    Zhu, Bing; Traini, Daniela; Chan, Hak-Kim; Young, Paul M

    2013-11-01

    The aerosol performance of budesonide solution-based pressurized metered-dose inhalers (HFA 134a), with various amounts of ethanol (5-30%, w/w) as co-solvents, was evaluated using impaction and laser diffraction techniques. With the increase of ethanol concentration in a formulation, the mass median aerodynamic diameter was increased and the fine particle fraction showed a significant decline. Although data obtained from laser diffraction oversized that of the impaction measurements, good correlations were established between the two sets of data. Particles emitted from all the five formulations in this study were amorphous, with two different types of morphology - the majority had a smooth surface with a solid core and the others were internally porous with coral-like surface morphology. The addition of ethanol in the formulation decreased the percentage of such irregular-shape particles from 52% to 2.5% approximately, when the ethanol concentration was increased from 5% to 30%, respectively. A hypothesis regarding the possible particle formation mechanisms was also established. Due to the difference of droplet composition from the designed formulation during the atomization process, the two types of particle may have gone through distinct drying processes: both droplets will have a very short period of co-evaporation, droplets with less ethanol may be dried during such period; while the droplets containing more ethanol will undergo an extra condensation stage before the final particle formation.

  8. Modelling the chemical behaviour of tellurium species in the reactor pressure vessel and the reactor cooling system under severe accident conditions

    International Nuclear Information System (INIS)

    Alonso, A.; Gonzalez, C.

    1991-07-01

    This state of the art report contains information on the behaviour of tellurium and its compounds in the reactor pressure vessel and the reactor coolant system under light water reactor severe accident conditions. To characterise tellurium behaviour, it is necessary the previous knowledge of the species of tellurium released from the core, and simultaneity of its release with that of other materials which can alter the transport, for instance, control rod and structural materials. Release and transport experiments have been reviewed along with the models implemented in the codes which are used in the international community: TRAPMELT, RAFT, VICTORIA and SOPHIE. From the experiments, it can be concluded that other species different to Te 2 , such as tin telluride and cesium telluride, may be released from the fuel. That is why they must be considered in the transport phenomena. There is also experimental evidence of the strong interaction of Te 2 with Inconel 600 and stainless steel of the pipe walls and structures, however this strong interaction is in competition with the interaction of tellurium with aerosols, which under severe accident conditions may represent an area greater than that of the primary system. It is for the absence of significant tellurium species in the transport models, and also for the interaction of tellurium with aerosols, for which some codes show the greatest deficiencies

  9. Chemical stabilization and high pressure synthesis of Ba-free Hg-based superconductors, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y}(N=1{approximately}3)

    Energy Technology Data Exchange (ETDEWEB)

    Kishio, K. [Univ. of Tokyo (Japan)]|[Kyoto Univ. (Japan); Shimoyama, J.; Hahakura, S. [Univ. of Tokyo (Japan)] [and others

    1994-12-31

    A homologous series of new Hg-based HTSC compounds, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y} with n=1 to 3, have been synthesized. The stabilization of the pure phases have been accomplished by chemical doping of third elements such as M=Cr, Mo and Re. While the Hg1201(n=1) phase was readily obtained in this way, it was necessary to simultaneously dope Y into the Ca site to stabilize the Hg1212(n=2) phase. On the other hand, single-phase Y-free Hg1212(n=2) and Hg1223(n=3) samples were synthesized only under a high pressure of 6 GPa. In sharp contrast to the Ba-containing compounds, all the samples prepared in the present study have been quite stable during the synthesis and no deterioration in air has been observed after the preparation.

  10. The Performance Improvement of N2 Plasma Treatment on ZrO2 Gate Dielectric Thin-Film Transistors with Atmospheric Pressure Plasma-Enhanced Chemical Vapor Deposition IGZO Channel.

    Science.gov (United States)

    Wu, Chien-Hung; Huang, Bo-Wen; Chang, Kow-Ming; Wang, Shui-Jinn; Lin, Jian-Hong; Hsu, Jui-Mei

    2016-06-01

    The aim of this paper is to illustrate the N2 plasma treatment for high-κ ZrO2 gate dielectric stack (30 nm) with indium-gallium-zinc-oxide (IGZO) thin-film transistors (TFTs). Experimental results reveal that a suitable incorporation of nitrogen atoms could enhance the device performance by eliminating the oxygen vacancies and provide an amorphous surface with better surface roughness. With N2 plasma treated ZrO2 gate, IGZO channel is fabricated by atmospheric pressure plasma-enhanced chemical vapor deposition (AP-PECVD) technique. The best performance of the AP-PECVD IGZO TFTs are obtained with 20 W-90 sec N2 plasma treatment with field-effect mobility (μ(FET)) of 22.5 cm2/V-s, subthreshold swing (SS) of 155 mV/dec, and on/off current ratio (I(on)/I(off)) of 1.49 x 10(7).

  11. Using KrF ELA to Improve Gate-Stacked LaAlO₃/ZrO₂ Indium Gallium Zinc Oxide Thin-Film Transistors with Novel Atmospheric Pressure Plasma-Enhanced Chemical Vapor Deposition Technique.

    Science.gov (United States)

    Wu, Chien-Hung; Chang, Kow-Ming; Chen, Yi-Ming; Huang, Bo-Wen; Zhang, Yu-Xin; Wang, Shui-Jinn

    2018-03-01

    Atmospheric pressure plasma-enhanced chemical vapor deposition (AP-PECVD) technique and KrF excimer laser annealing (ELA) were employed for the fabrication of indium gallium zinc oxide thin-film transistors (IGZO-TFTs). Device with a 150 mJ/cm2 laser annealing densities demonstrated excellent electrical characteristics with improved on/off current ratio of 4.7×107, high channel mobility of 10 cm2/V-s, and low subthreshold swing of 0.15 V/dec. The improvements are attributed to the adjustment of oxygen vacancies in the IGZO channel to an appropriate range of around 28.3% and the reduction of traps at the high-k/IGZO interface.

  12. Blood pressure

    Science.gov (United States)

    Normal blood pressure is important for proper blood flow to the body's organs and tissues. The force of the blood on the walls of the arteries is called blood pressure. Blood pressure is measured both as the heart ...

  13. 40 CFR 796.1950 - Vapor pressure.

    Science.gov (United States)

    2010-07-01

    ... (CONTINUED) CHEMICAL FATE TESTING GUIDELINES Physical and Chemical Properties § 796.1950 Vapor pressure. (a.... In addition, chemicals that are likely to be gases at ambient temperatures and which have low water... gases until the measured vapor pressure is constant, a process called “degassing.” Impurities more...

  14. Chemical Peels

    Science.gov (United States)

    ... care Kids’ zone Video library Find a dermatologist Chemical peels Overview Chemical peels: Overview Also called chemexfoliation , derma peeling Do ... Overview Chemical peels: FAQs Chemical peels: Preparation FAQs Chemical peels: FAQs To help you decide whether this ...

  15. A liquid chromatography-mass spectrometry method for the quantification of bioavailability and bioconversion of beta-carotene to retinol in humans

    NARCIS (Netherlands)

    Yan Wang,; Xiaoying Xu,; Lieshout, van M.; West, C.E.; Lugtenburg, J.; Verhoeven, M.A.; Creemers, A.F.L.

    2000-01-01

    A method based on high-performance liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (APCI LC-MS) was developed for the quantification of the bioavailability of retinyl palmitate and -carotene and the bioconversion of -carotene to retinol in humans. Following oral

  16. Quantification of urinary 0,0'-dityrosine, a biomarker for oxidative damage to proteins, by high performance liquid chromatography with triple quadrupole tandem mas spectrometry. A comparison with ion-trap tandem mass spectrometry.

    NARCIS (Netherlands)

    Orhan, H.; Coolen, S.; Meerman, J.H.N.

    2005-01-01

    We recently described an isotope dilution reversed-phase liquid chromatography-atmospheric pressure chemical ionization-ion-trap-tandem mass spectrometry (HPLC-APCI-MS/MS) method for the quantitative determination of oxidized amino acids in human urine, including o,o′-dityrosine, a specific marker

  17. Determination of telmisartan in human blood plasma: Part II: Liquid chromatography-tandem mass spectrometry method development, comparison to immunoassay and pharmacokinetic study

    NARCIS (Netherlands)

    Hempen, C.M.; Gläsle-Schwarz, Liane; Kunz, Ulrich; Karst, U.

    2006-01-01

    A new liquid chromatography/atmospheric pressure chemical ionization-tandem mass spectrometry (LC/APCI-MS/MS) method with on-line sample clean-up for the determination of telmisartan in human blood plasma is presented. This technique is compared to a previously introduced enzyme-linked immunosorbent

  18. High blood pressure - medicine-related

    Science.gov (United States)

    Drug-induced hypertension is high blood pressure caused by using a chemical substance or medicine. ... of the arteries There are several types of high blood pressure : Essential hypertension has no cause that can be ...

  19. Chemical Emergencies

    Science.gov (United States)

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  20. Report of National Research Institute for Pollution and Resources for fiscal 1979. Research on conversion of coal to petroleum, research on coal liquefaction, high pressure liquid phase hydrogenation of coal by continuous test equipment, and manufacture of coal chemicals; 1979 nendo sekitan no yuka no kenkyu / sekitan no ekika no kenkyu / renzoku shiken sochi ni yoru sekitan no koatsu ekiso suisoka bunkai / coal chemicals no seizo

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1980-07-01

    Research was conducted on conversion of coal to petroleum for the purpose of securing substitute liquid fuel. Recovery of hydrogen from the waste gas from the conversion process was explained, as were the conversion results from various coals produced in Japan. In coal liquefaction researches with the aim of manufacturing artificial petroleum, a report was made on each of the researches, i.e., the experiment results of coal liquefaction using various catalysts, manufacture of hydrogen by water gas reaction, catalytic action against coal paste, action of mixed oil and pressure against coal paste, result of hydrogen adding test for coal paste using an intermediate scale device, test result of secondary hydrogen addition for coal liquefied oil, and the test result of continuous secondary hydrogen addition for the liquefied oil. In the manufacture of fuel oil by hydro-cracking of coal or tar, a report was made on high pressure liquid phase hydrogenation of coal using a continuous testing device. Aromatic chemicals useful as chemical materials are supposed to be obtained by cutting inter-polymerized-unit bonding to make low molecules from the chemical structure of coal, removing surrounding radicals and simplifying it. A report was also made on the experiment of manufacturing coal chemicals by combination of high pressure liquid phase hydrogenation and hydro-dealkylation. (NEDO)

  1. Digestibilidade do bagaço de cana-de-açúcar tratado com reagentes químicos e pressão de vapor Digestibility of sugar cane bagasse treated with chemical reagents and steam pressure

    Directory of Open Access Journals (Sweden)

    Ricardo Pereira Manzano

    2000-08-01

    Full Text Available Com o objetivo de elevar a digestibilidade do bagaço de cana-de-açúcar, este resíduo agro-industrial foi tratado com inúmeros reagentes químicos acompanhados ou não de tratamento físico. Após ensaios preliminares, nos quais diversos agentes deslignificantes foram avaliados, dez tratamentos foram selecionados para serem melhor estudados em ensaios de digestibilidade in vitro da matéria seca e da matéria orgânica. Em seguida, para o ensaio de digestibilidade in vivo, foram feitas quatro dietas à base de: 1 - Bagaço auto-hidrolisado (BAH, pressão de 17 kgf/cm² por 5 min; 2 - Bagaço tratado com 4% Na2S + 6% NaOH, pressão de 12 kgf/cm² por 8 min; 3 - Bagaço tratado com 2% Na2S + 3% NaOH, pressão de 12 kgf/cm² por 8 min; e 4 - Bagaço tratado com 9% H2O2 + 7% NaOH, a 70ºC por 8 min. Bagaço tratado com 4% Na2S + 6% NaOH e submetido a 12 kgf/cm² de pressão apresentou os melhores coeficientes de digestibilidade da matéria seca, matéria orgânica, fibra em detergente neutro e fibra em detergente ácido e o maior valor de nutrientes digestíveis totais. Em seguida, o bagaço tratado com 9% H2O2 + 7% NaOH a 70ºC por 8 min apresentou os melhores resultados. Piores resultados foram observados para o bagaço hidrolizado. A melhor digestibilidade de algumas das dietas, particularmente das frações fibrosas, sugere a exiqüibilidade do emprego de menores quantidades de alimento concentrado em dietas à base de bagaço de cana tratado química/fisicamente.In order to increase the sugar cane bagasse digestibility, this agricultural by-product was treated with several chemical reagents with or without physical treatment. After preliminary evaluation, where several delignificant agents were evaluated, ten treatments were selected for more detailed in vitro dry and organic matter disappearance trials. Then, for the in vivo digestibility trial, four sugar cane bagasse based diets were made: 1 - Hydrolyzed sugar cane bagasse, pressure of

  2. Chemical and structural changes in Ln{sub 2}NiO{sub 4+δ} (Ln=La, Pr or Nd) lanthanide nickelates as a function of oxygen partial pressure at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Flura, Aurélien; Dru, Sophie; Nicollet, Clément; Vibhu, Vaibhav; Fourcade, Sébastien; Lebraud, Eric; Rougier, Aline; Bassat, Jean-Marc; Grenier, Jean-Claude, E-mail: grenier@icmcb-bordeaux.cnrs.fr

    2015-08-15

    The chemical stability of lanthanide nickelates Ln{sub 2}NiO{sub 4+δ} (Ln=La, Pr or Nd) has been studied in the temperature range 25–1300 °C, either in air or at low pO{sub 2} (down to 10{sup −4} atm). Thermal gravimetry analysis (TGA) measurements coupled with X-ray diffraction (XRD) characterization have shown that all compounds retain their K{sub 2}NiF{sub 4}-type structure in these conditions, while remaining over-stoichiometric in oxygen up to 1000 °C. Only Nd{sub 2}NiO{sub 4+δ} starts to decompose into Nd{sub 2}O{sub 3} and NiO above 1000 °C, at pO{sub 2}=10{sup −4} atm. In addition, a careful analysis of the lanthanide nickelates structural features has been performed by in situ XRD, as a function of temperature and pO{sub 2}. For all compounds, a structural transition has been always observed in the temperature range 200–400 °C, in air or at pO{sub 2}=10{sup −4} atm. In addition, their cell volume did not vary upon the variation of the oxygen partial pressure. Therefore, these materials do not exhibit a chemical expansion in these conditions, which is beneficial for a fuel cell application as cathode layers. Additional dilatometry measurements have revealed that a temperature as high as 950 °C for Pr{sub 2}NiO{sub 4+δ} or 1100 °C for La{sub 2}NiO{sub 4+δ} and Nd{sub 2}NiO{sub 4+δ} has to be reached in order to begin the sintering of the material particles, which is of primary importance to obtain an efficient electronic/ionic conduction in the corresponding designed cathode layers. Besides, excellent matching was found between the thermal expansion coefficients of lanthanide nickelates and SOFC electrolytes such as 8wt% yttria stabilized zirconia (8YSZ) or Ce{sub 0.8}Gd{sub 0.2}O{sub 2−δ} (GDC), at least from 400 °C up to 1400 °C in air or up to 1200 °C at pO{sub 2}=10{sup −4} atm. - Graphical abstract: This study reports the good chemical stability of oxygen overstoichiometric Ln2NiO4+δ(Ln = La, Pr or Nd) at high temperatures

  3. Low-voltage back-gated atmospheric pressure chemical vapor deposition based graphene-striped channel transistor with high-κ dielectric showing room-temperature mobility > 11 000 cm2/V·s

    KAUST Repository

    Smith, Casey

    2013-07-23

    Utilization of graphene may help realize innovative low-power replacements for III-V materials based high electron mobility transistors while extending operational frequencies closer to the THz regime for superior wireless communications, imaging, and other novel applications. Device architectures explored to date suffer a fundamental performance roadblock due to lack of compatible deposition techniques for nanometer-scale dielectrics required to efficiently modulate graphene transconductance (gm) while maintaining low gate capacitance-voltage product (CgsVgs). Here we show integration of a scaled (10 nm) high-κ gate dielectric aluminum oxide (Al2O3) with an atmospheric pressure chemical vapor deposition (APCVD)-derived graphene channel composed of multiple 0.25 μm stripes to repeatedly realize room-temperature mobility of 11 000 cm 2/V·s or higher. This high performance is attributed to the APCVD graphene growth quality, excellent interfacial properties of the gate dielectric, conductivity enhancement in the graphene stripes due to low t ox/Wgraphene ratio, and scaled high-κ dielectric gate modulation of carrier density allowing full actuation of the device with only ±1 V applied bias. The superior drive current and conductance at Vdd = 1 V compared to other top-gated devices requiring undesirable seed (such as aluminum and poly vinyl alcohol)-assisted dielectric deposition, bottom gate devices requiring excessive gate voltage for actuation, or monolithic (nonstriped) channels suggest that this facile transistor structure provides critical insight toward future device design and process integration to maximize CVD-based graphene transistor performance. © 2013 American Chemical Society.

  4. Low-voltage back-gated atmospheric pressure chemical vapor deposition based graphene-striped channel transistor with high-κ dielectric showing room-temperature mobility > 11 000 cm2/V·s

    KAUST Repository

    Smith, Casey; Qaisi, Ramy M.; Liu, Zhihong; Yu, Qingkai; Hussain, Muhammad Mustafa

    2013-01-01

    Utilization of graphene may help realize innovative low-power replacements for III-V materials based high electron mobility transistors while extending operational frequencies closer to the THz regime for superior wireless communications, imaging, and other novel applications. Device architectures explored to date suffer a fundamental performance roadblock due to lack of compatible deposition techniques for nanometer-scale dielectrics required to efficiently modulate graphene transconductance (gm) while maintaining low gate capacitance-voltage product (CgsVgs). Here we show integration of a scaled (10 nm) high-κ gate dielectric aluminum oxide (Al2O3) with an atmospheric pressure chemical vapor deposition (APCVD)-derived graphene channel composed of multiple 0.25 μm stripes to repeatedly realize room-temperature mobility of 11 000 cm 2/V·s or higher. This high performance is attributed to the APCVD graphene growth quality, excellent interfacial properties of the gate dielectric, conductivity enhancement in the graphene stripes due to low t ox/Wgraphene ratio, and scaled high-κ dielectric gate modulation of carrier density allowing full actuation of the device with only ±1 V applied bias. The superior drive current and conductance at Vdd = 1 V compared to other top-gated devices requiring undesirable seed (such as aluminum and poly vinyl alcohol)-assisted dielectric deposition, bottom gate devices requiring excessive gate voltage for actuation, or monolithic (nonstriped) channels suggest that this facile transistor structure provides critical insight toward future device design and process integration to maximize CVD-based graphene transistor performance. © 2013 American Chemical Society.

  5. Pressure Sores

    Science.gov (United States)

    Pressure sores are areas of damaged skin caused by staying in one position for too long. They commonly ... wheelchair, or are unable to change your position. Pressure sores can cause serious infections, some of which are ...

  6. Protonation and structural/chemical stability of Ln{sub 2}NiO{sub 4+δ} ceramics vs. H{sub 2}O/CO{sub 2}: High temperature/water pressure ageing tests

    Energy Technology Data Exchange (ETDEWEB)

    Upasen, S. [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, 75005 Paris (France); CNRS-IP2CT, UMR 8233, MONARIS, F-75005 Paris (France); Batocchi, P.; Mauvy, F. [ICMCB, ICMCB-CNRS-IUT-Université de Bordeaux, 33608 Pessac Cedex (France); Slodczyk, A. [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, 75005 Paris (France); CNRS-IP2CT, UMR 8233, MONARIS, F-75005 Paris (France); Colomban, Ph., E-mail: philippe.colomban@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, 75005 Paris (France); CNRS-IP2CT, UMR 8233, MONARIS, F-75005 Paris (France)

    2015-02-15

    Highlights: • High temperature/water pressure autoclave is used to study the reaction/corrosion at SOFC/HTSE electrode. • High stability of Pr{sub 2}NiO{sub 4+δ} (PNO) and Nd{sub 2}NiO{sub 4+δ} (NNO) dense ceramics vs. water pressure is demonstrated. • Protonated rare-earth nickelates retain the perovskite-type structure and their H-content is determined. • Very low laser illumination power is required to avoid RE nickelate phase transition. • Nickelates show increasing stability from La to Pr/Nd vs. CO{sub 2}-rich high temperature water vapor. - Abstract: Mixed ionic-electronic conductors (MIEC) such as rare-earth nickelates with a general formula Ln{sub 2}NiO{sub 4+δ} (Ln = La, Pr, Nd) appear as potential for energy production and storage systems: fuel cells, electrolysers and CO{sub 2} converters. Since a good electrode material should exhibit important stability in operating conditions, the structural and chemical stability of different nickelate-based, well-densified ceramics have been studied using various techniques: TGA, dilatometry, XRD, Raman scattering and IR spectroscopy. Consequently, La{sub 2}NiO{sub 4+δ} (LNO), Pr{sub 2}NiO{sub 4+δ} (PNO) and Nd{sub 2}NiO{sub 4+δ} (NNO) have been exposed during 5 days to high water vapor pressure (40 bar) at intermediate temperature (550 °C) in an autoclave device, the used water being almost free or saturated with CO{sub 2}. Such protonation process offers an accelerating stability test and allows the choice of the most pertinent composition for industrial applications requiring a selected material with important life-time. In order to understand any eventual change of crystal structure, the ceramics were investigated in as-prepared, pristine state as well as after protonation and deprotonation (due to thermal treatment till 1000 °C under dry atmosphere). The results show the presence of traces or second phases originating from undesirable hydroxylation and carbonation, detected in the near

  7. Intracranial Pressure

    DEFF Research Database (Denmark)

    Hvedstrup, Jeppe; Radojicic, Aleksandra; Moudrous, Walid

    2018-01-01

    OBJECTIVE: To compare a new method of noninvasive intracranial pressure (nICP) measurement with conventional lumbar puncture (LP) opening pressure. METHODS: In a prospective multicenter study, patients undergoing LP for diagnostic purposes underwent intracranial pressure measurements with HeadSen...

  8. Pressure Ulcers

    OpenAIRE

    Monfre, Jill M.

    2016-01-01

    Unrelieved pressure or friction of the skin, particularly over bony prominences, can lead to pressure ulcers, which affect up to one third of people in hospitals or community care, and one fifth of nursing home residents. Pressure ulcers are more likely in people with reduced mobility and poor skin condition, such as older people or those with vascular disease.

  9. Chemical pressure induced change in multiferroicity of Bi{sub 1+2x}Gd{sub 2x/2}Fe{sub 1−2x}O{sub 3} bulk ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Pradhan, S.K. [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Center for Materials Research, Norfolk State University, Norfolk (United States); Sahu, D.R., E-mail: diptirs@yahoo.com [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Department of Natural and Applied Science, Namibia University of Science and Technology, Windhoek (Namibia); Rout, P.P.; Das, S.K. [Institute of Materials Science, Bhubaneswar 751013 Odisha (India); Pradhan, A.K. [Center for Materials Research, Norfolk State University, Norfolk (United States); Srinivasu, V.V. [Department of Physics, University of South Africa (South Africa); Roul, B.K., E-mail: ims@iopb.res.in [Institute of Materials Science, Bhubaneswar 751013 Odisha (India)

    2017-04-01

    We have optimized Gd ion substitution in BiFeO{sub 3} (BFO) and observed prominently change in structural, electrical and magnetic behavior of Bi{sub 1+2x}Gd{sub 2x/2}Fe{sub 1−2x}O{sub 3} ceramics synthesized through slow step sintering schedule. It is observed that with the increase in concentration of Gd (x=0.1), original structure of BFO is transformed from rhombohedral R3c space group to orthorhombic Pn21a space group. Surprisingly, unit cell volume is drastically contracted (35% for x=0.2) and the sintered specimen showed enhanced room temperature ferromagnetic behavior although the original BFO is normally G-type antiferromagnetic in nature at 643 K. It is expected that intrinsic chemical pressure within the bulk body built by the substitution of Gd in presence of excess bismuth greatly supported through unidirectional movement of electrical dipole moment with in each individual domain as a result of which suppression of leakage current with enhanced dielectric and ferroelectric hysteresis is observed.

  10. Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.

    Science.gov (United States)

    Kanyal, Supriya S; Häbe, Tim T; Cushman, Cody V; Dhunna, Manan; Roychowdhury, Tuhin; Farnsworth, Paul B; Morlock, Gertrud E; Linford, Matthew R

    2015-07-24

    Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000theoretical plates/m and a reduced mobile phase consumption of only 400μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Method development for the determination of 24S-hydroxycholesterol in human plasma without derivatization by high-performance liquid chromatography with tandem mass spectrometry in atmospheric pressure chemical ionization mode.

    Science.gov (United States)

    Sugimoto, Hiroshi; Kakehi, Masaaki; Satomi, Yoshinori; Kamiguchi, Hidenori; Jinno, Fumihiro

    2015-10-01

    We developed a highly sensitive and specific high-performance liquid chromatography with tandem mass spectrometry method with an atmospheric pressure chemical ionization interface to determine 24S-hydroxycholesterol, a major metabolite of cholesterol formed by cytochrome P450 family 46A1, in human plasma without any derivatization step. Phosphate buffered saline including 1% Tween 80 was used as the surrogate matrix for preparation of calibration curves and quality control samples. The saponification process to convert esterified 24S-hydroxycholesterol to free sterols was optimized, followed by liquid-liquid extraction using hexane. Chromatographic separation of 24S-hydroxycholesterol from other isobaric endogenous oxysterols was successfully achieved with gradient mobile phase comprised of 0.1% propionic acid and acetonitrile using L-column2 ODS (2 μm, 2.1 mm id × 150 mm). This assay was capable of determining 24S-hydroxycholesterol in human plasma (200 μL) ranging from 1 to 100 ng/mL with acceptable intra- and inter-day precision and accuracy. The potential risk of in vitro formation of 24S-hydroxycholesterol by oxidation from endogenous cholesterol in human plasma was found to be negligible. The stability of 24S-hydroxycholesterol in relevant solvents and human plasma was confirmed. This method was successfully applied to quantify the plasma concentrations of 24S-hydroxycholesterol in male and female volunteers. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Schinus terebinthifolius scale-up countercurrent chromatography (Part I): High performance countercurrent chromatography fractionation of triterpene acids with off-line detection using atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Vieira, Mariana Neves; Costa, Fernanda das Neves; Leitão, Gilda Guimarães; Garrard, Ian; Hewitson, Peter; Ignatova, Svetlana; Winterhalter, Peter; Jerz, Gerold

    2015-04-10

    'Countercurrent chromatography' (CCC) is an ideal technique for the recovery, purification and isolation of bioactive natural products, due to the liquid nature of the stationary phase, process predictability and the possibility of scale-up from analytical to preparative scale. In this work, a method developed for the fractionation of Schinus terebinthifolius Raddi berries dichloromethane extract was thoroughly optimized to achieve maximal throughput with minimal solvent and time consumption per gram of processed crude extract, using analytical, semi-preparative and preparative 'high performance countercurrent chromatography' (HPCCC) instruments. The method using the biphasic solvent system composed of n-heptane-ethyl acetate-methanol-water (6:1:6:1, v/v/v/v) was volumetrically scaled up to increase sample throughput up to 120 times, while maintaining separation efficiency and time. As a fast and specific detection alternative, the fractions collected from the CCC-separations were injected to an 'atmospheric pressure chemical ionization mass-spectrometer' (APCI-MS/MS) and reconstituted molecular weight MS-chromatograms of the APCI-ionizable compounds from S. terebinthifolius were obtained. This procedure led to the direct isolation of tirucallane type triterpenes such as masticadienonic and 3β-masticadienolic acids. Also oleanonic and moronic acids have been identified for the first time in the species. In summary, this approach can be used for other CCC scale-up processes, enabling MS-target-guided isolation procedures. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Hyphenation of ultra high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 1. Study of the coupling parameters for the analysis of natural non-polar compounds.

    Science.gov (United States)

    Duval, Johanna; Colas, Cyril; Pecher, Virginie; Poujol, Marion; Tranchant, Jean-François; Lesellier, Eric

    2017-08-04

    An analytical method based on Ultra-High-Performance Supercritical Fluid Chromatography (UHPSFC) coupled with Atmospheric Pressure Chemical Ionization - High-resolution mass spectrometry (APCI-Q-TOF-HRMS) was developed for compounds screening from oily samples. The hyphenation was made using a commercial UHPLC device coupled to a CO 2 pump in order to perform the chromatographic analysis. An adaptation of the injection system for compressible fluids was accomplished for this coupling: this modification of the injection sequence was achieved to prevent unusual variations of the injected volume related to the use of a compressible fluid. UHPSFC-HRMS hyphenation was optimized to enhance the response of the varied compounds from a seed extract (anthraquinones, free fatty acids, diacylglycerols, hydroxylated triacylglycerols and triacylglycerols). No split was used prior to the APCI ionization source, allowing introducing all the compounds in the spectrometer, ensuring a better sensitivity for minor compounds. The effects of a mechanical make-up (T-piece) added before this ionization source was discussed in terms of standard deviation of response, response intensity and fragmentation percentage. The location of the T-piece with regards to the backpressure regulator (BPR), the flow rate and the nature of the make-up solvent were studied. Results show that the effects of the studied parameters depend on the nature of the compounds, whereas the make-up addition favours the robustness of the mass response (quantitative aspect). Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Krypton oxides under pressure.

    Science.gov (United States)

    Zaleski-Ejgierd, Patryk; Lata, Pawel M

    2016-02-02

    Under high pressure, krypton, one of the most inert elements is predicted to become sufficiently reactive to form a new class of krypton compounds; krypton oxides. Using modern ab-initio evolutionary algorithms in combination with Density Functional Theory, we predict the existence of several thermodynamically stable Kr/O species at elevated pressures. In particular, our calculations indicate that at approx. 300 GPa the monoxide, KrO, should form spontaneously and remain thermo- and dynamically stable with respect to constituent elements and higher oxides. The monoxide is predicted to form non-molecular crystals with short Kr-O contacts, typical for genuine chemical bonds.

  15. Microfluidics for chemical processing

    NARCIS (Netherlands)

    Gardeniers, Johannes G.E.

    2006-01-01

    Microfluidic systems, and more specifically, microfluidic chips, have a number of features that make them particularly useful for the study of chemical reactions on-line. The present paper will discuss two examples, the study of fluidic behaviour at high pressures and the excitation and detection of

  16. Electro-chemical grinding

    Science.gov (United States)

    Feagans, P. L.

    1972-01-01

    Electro-chemical grinding technique has rotation speed control, constant feed rates, and contour control. Hypersonic engine parts of nickel alloys can be almost 100% machined, keeping tool pressure at virtual zero. Technique eliminates galling and permits constant surface finish and burr-free interrupted cutting.

  17. Dispersive liquid-liquid microextraction for the determination of vitamins D and K in foods by liquid chromatography with diode-array and atmospheric pressure chemical ionization-mass spectrometry detection.

    Science.gov (United States)

    Viñas, Pilar; Bravo-Bravo, María; López-García, Ignacio; Hernández-Córdoba, Manuel

    2013-10-15

    A simple and rapid method was developed using reversed-phase liquid chromatography (LC) with both diode array (DAD) and atmospheric pressure chemical ionization mass spectrometric (APCI-MS) detection, for the simultaneous analysis of the vitamins ergocalciferol (D2), cholecalciferol (D3), phylloquinone (K1), menaquinone-4 (K2) and a synthetic form of vitamin K, menadione (K3). The Taguchi experimental method, an orthogonal array design (OAD), was used to optimize an efficient and clean preconcentration step based on dispersive liquid-liquid microextraction (DLLME). A factorial design was applied with six factors and three levels for each factor, namely, carbon tetrachloride volume, methanol volume, aqueous sample volume, pH of sample, sodium chloride concentration and time of the centrifugation step. The DLLME optimized procedure consisted of rapidly injecting 3 mL of acetonitrile (disperser solvent) containing 150 µL carbon tetrachloride (extraction solvent) into the aqueous sample, thereby forming a cloudy solution. Phase separation was performed by centrifugation, and the sedimented phase was evaporated with nitrogen, reconstituted with 50 µL of acetonitrile, and injected. The LC analyses were carried out using a mobile phase composed of acetonitrile, 2-propanol and water, under gradient elution. Quantification was carried out by the standard additions method. The APCI-MS spectra, in combination with UV spectra, permitted the correct identification of compounds in the food samples. The method was validated according to international guidelines and using a certified reference material. The validated method was applied for the analysis of vitamins D and K in infant foods and several green vegetables. There was little variability in the forms of vitamin K present in vegetables, with the most abundant vitamer in all the samples being phylloquinone, while menadione could not be detected. Conversely, cholecalciferol, which is present in food of animal origin, was

  18. Evaluation of the capabilities of atmospheric pressure chemical ionization source coupled to tandem mass spectrometry for the determination of dioxin-like polychlorobiphenyls in complex-matrix food samples.

    Science.gov (United States)

    Portolés, T; Sales, C; Abalos, M; Sauló, J; Abad, E

    2016-09-21

    The use of the novel atmospheric pressure chemical ionization (APCI) source for gas chromatography (GC) coupled to triple quadrupole using tandem mass spectrometry (MS/MS) and its potential for the simultaneous determination of the 12 dioxin-like polychlorobiphenyls (DL-PCBs) in complex food and feed matrices has been evaluated. In first place, ionization and fragmentation behavior of DL-PCBs on the APCI source under charge transfer conditions has been studied followed by their fragmentation in the collision cell. Linearity, repeatability and sensitivity have been studied obtaining instrumental limits of detection and quantification of 0.0025 and 0.005 pg μL(-1) (2.5 and 5 fg on column) respectively for every DL-PCB. Finally, application to real samples has been carried out and DL-PCB congeners (PCB 77, 81, 105, 114, 118, 123, 126, 156, 157, 167, 169, 189) have been detected in the different samples in the range of 0.40-10000 pg g(-1). GC-(APCI)MS/MS has been proved as a suitable alternative to the traditionally accepted confirmation method based on the use of high resolution mass spectrometry and other triple quadrupole tandem mass spectrometry techniques operating with electron ionization. The development of MS/MS methodologies for the analysis of dioxins and DL-PCBs is nowadays particularly important, since this technique was included as a confirmatory method in the present European Union regulations that establish the requirements for the determination of these compounds in food and feed matrices. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Pressure transducers

    International Nuclear Information System (INIS)

    Gomes, A.V.

    1975-01-01

    Strain gauges pressure transducers types are presented. Models, characteristics and calibration procedures were also analysed. Initially, a theoretical study was accomplished to evaluate metallic alloys behavior on sensing elements manufacturing, and diaphragm was used as deflecting elements. Electrical models for potenciometric transducers were proposed at the beginning and subsequently comproved according our experiments. Concerning bridge transducers, existing models confirmed the conditions of linearity and sensitivity related to the electrical signal. All the work done was of help on the calibration field and pressure measurements employing unbounded strain gauge pressure transducers

  20. Non disturbing characterization and quantification of natural organic matter (NOM) contained in clay rock pore water by mass spectrometry using electro-spray and atmospheric pressure chemical ionization modes

    International Nuclear Information System (INIS)

    Huclier-Markai, S.; Landesman, C.; Grambow, B.; Rogniaux, H.; Monteau, F.; Vinsot, A.

    2010-01-01

    formation is of great importance. In this context, establishing accurate sequencing of structural units for the DOM shall be attempted. The present work is focused on small organic molecules that are present in the COx formation and that could also play a key role in the migration processes. It would be valuable to develop rapid analytical methods that require only a small sample volume and minimal pretreatment. Of particular importance is the ability to analyze bulk pore water samples as opposed to samples subjected to specific extraction techniques, fractionation, and/or concentration. Mass Spectrometry with either the Electro-Spray or the Atmospheric Pressure Chemical Ionization modes has been proved to be a powerful tool for aquatic humic substances since it allows the determination of the molecular weight distribution and the access to the different molecular weights. In this study, we have employed ESI-MS and APCI-MS to identify the chemical composition of NOM contained in the pore water from the argillite clay rock. Due to the very small quantities of COx pore water available from boreholes, these techniques are thus very suitable. The DOM in pore water has never been characterized on a well preserved pore water sample. The following aspects were considered in the present work: (1) the use of either ESI or APCI to select the most appropriated mode of ionization for providing the best information depending on the class of compound examined (2) a unique and original experimental process developed to get pore water from a core sample (3) the determination of concentration of dissolved organic matter and the evaluation of the organic matter maturity by Excitation-Emission Matrix (EEM) spectroscopy and (4) the application of the proposed instrumental methods for the characterization of organic components from natural pore waters. For the first time to our knowledge, a quite exhaustive inventory of the small organic compounds presents is given without proceeding to any

  1. Peer Pressure

    Science.gov (United States)

    ... for: Teens Dealing With Bullying Emotional Intelligence Sexual Harassment and Sexual Bullying Coping With Stressful Situations Prom Pressure What Stresses You Out About School? Virginity: A Very Personal Decision Stress & Coping Center ...

  2. High Pressure Biomass Gasification

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Pradeep K [Georgia Tech Research Corporation, Atlanta, GA (United States)

    2016-07-29

    According to the Billion Ton Report, the U.S. has a large supply of biomass available that can supplement fossil fuels for producing chemicals and transportation fuels. Agricultural waste, forest residue, and energy crops offer potential benefits: renewable feedstock, zero to low CO2 emissions depending on the specific source, and domestic supply availability. Biomass can be converted into chemicals and fuels using one of several approaches: (i) biological platform converts corn into ethanol by using depolymerization of cellulose to form sugars followed by fermentation, (ii) low-temperature pyrolysis to obtain bio-oils which must be treated to reduce oxygen content via HDO hydrodeoxygenation), and (iii) high temperature pyrolysis to produce syngas (CO + H2). This last approach consists of producing syngas using the thermal platform which can be used to produce a variety of chemicals and fuels. The goal of this project was to develop an improved understanding of the gasification of biomass at high pressure conditions and how various gasification parameters might affect the gasification behavior. Since most downstream applications of synags conversion (e.g., alcohol synthesis, Fischer-Tropsch synthesis etc) involve utilizing high pressure catalytic processes, there is an interest in carrying out the biomass gasification at high pressure which can potentially reduce the gasifier size and subsequent downstream cleaning processes. It is traditionally accepted that high pressure should increase the gasification rates (kinetic effect). There is also precedence from coal gasification literature from the 1970s that high pressure gasification would be a beneficial route to consider. Traditional approach of using thermogravimetric analyzer (TGA) or high-pressure themogravimetric analyzer (PTGA) worked well in understanding the gasification kinetics of coal gasification which was useful in designing high pressure coal gasification processes. However

  3. Evaluation of the capabilities of atmospheric pressure chemical ionization source coupled to tandem mass spectrometry for the determination of dioxin-like polychlorobiphenyls in complex-matrix food samples

    International Nuclear Information System (INIS)

    Portolés, T.; Sales, C.; Abalos, M.; Sauló, J.; Abad, E.

    2016-01-01

    The use of the novel atmospheric pressure chemical ionization (APCI) source for gas chromatography (GC) coupled to triple quadrupole using tandem mass spectrometry (MS/MS) and its potential for the simultaneous determination of the 12 dioxin-like polychlorobiphenyls (DL-PCBs) in complex food and feed matrices has been evaluated. In first place, ionization and fragmentation behavior of DL-PCBs on the APCI source under charge transfer conditions has been studied followed by their fragmentation in the collision cell. Linearity, repeatability and sensitivity have been studied obtaining instrumental limits of detection and quantification of 0.0025 and 0.005 pg μL"−"1 (2.5 and 5 fg on column) respectively for every DL-PCB. Finally, application to real samples has been carried out and DL-PCB congeners (PCB 77, 81, 105, 114, 118, 123, 126, 156, 157, 167, 169, 189) have been detected in the different samples in the range of 0.40–10000 pg g"−"1. GC-(APCI)MS/MS has been proved as a suitable alternative to the traditionally accepted confirmation method based on the use of high resolution mass spectrometry and other triple quadrupole tandem mass spectrometry techniques operating with electron ionization. The development of MS/MS methodologies for the analysis of dioxins and DL-PCBs is nowadays particularly important, since this technique was included as a confirmatory method in the present European Union regulations that establish the requirements for the determination of these compounds in food and feed matrices. - Highlights: • GC-(APCI)MS/MS with QqQ: a suitable alternative to GC-(EI)HRMS for DL-PCBs determination. • LODs and LOQs as low as 0.0025 and 0.005 pg μL"−"1 respectively achieved for each DL-PCB congener. • Enhanced sensitivity and specificity of APCI in comparison with EI source in QqQ instruments.

  4. Evaluation of the capabilities of atmospheric pressure chemical ionization source coupled to tandem mass spectrometry for the determination of dioxin-like polychlorobiphenyls in complex-matrix food samples

    Energy Technology Data Exchange (ETDEWEB)

    Portolés, T., E-mail: tportole@uji.es [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón (Spain); Sales, C. [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón (Spain); Abalos, M.; Sauló, J.; Abad, E. [Laboratory of Dioxins, IDAEA, CSIC, Jordi Girona 18-26, E-08034 Barcelona (Spain)

    2016-09-21

    The use of the novel atmospheric pressure chemical ionization (APCI) source for gas chromatography (GC) coupled to triple quadrupole using tandem mass spectrometry (MS/MS) and its potential for the simultaneous determination of the 12 dioxin-like polychlorobiphenyls (DL-PCBs) in complex food and feed matrices has been evaluated. In first place, ionization and fragmentation behavior of DL-PCBs on the APCI source under charge transfer conditions has been studied followed by their fragmentation in the collision cell. Linearity, repeatability and sensitivity have been studied obtaining instrumental limits of detection and quantification of 0.0025 and 0.005 pg μL{sup −1} (2.5 and 5 fg on column) respectively for every DL-PCB. Finally, application to real samples has been carried out and DL-PCB congeners (PCB 77, 81, 105, 114, 118, 123, 126, 156, 157, 167, 169, 189) have been detected in the different samples in the range of 0.40–10000 pg g{sup −1}. GC-(APCI)MS/MS has been proved as a suitable alternative to the traditionally accepted confirmation method based on the use of high resolution mass spectrometry and other triple quadrupole tandem mass spectrometry techniques operating with electron ionization. The development of MS/MS methodologies for the analysis of dioxins and DL-PCBs is nowadays particularly important, since this technique was included as a confirmatory method in the present European Union regulations that establish the requirements for the determination of these compounds in food and feed matrices. - Highlights: • GC-(APCI)MS/MS with QqQ: a suitable alternative to GC-(EI)HRMS for DL-PCBs determination. • LODs and LOQs as low as 0.0025 and 0.005 pg μL{sup −1} respectively achieved for each DL-PCB congener. • Enhanced sensitivity and specificity of APCI in comparison with EI source in QqQ instruments.

  5. Comparison of various liquid chromatographic methods involving UV and atmospheric pressure chemical ionization mass spectrometric detection for the efficient trace analysis of phenylurea herbicides in various types of water samples.

    Science.gov (United States)

    van der Heeft, E; Dijkman, E; Baumann, R A; Hogendoorn, E A

    2000-05-19

    The performance of mass spectrometric (MS) detection and UV detection in combination with reversed-phase liquid chromatography without and with the use of coupled column RPLC (LC-LC) has been compared for the trace analysis of phenylurea herbicides in environmental waters. The selected samples of this comparative study originated from an inter-laboratory study. For both detection modes, a 50 mm x 4.6 mm I.D. column and a 100 mm x 4.6 mm I.D. column packed with 3 microm C18 were used as the first (C-1) and second (C-2) column, respectively. Atmospheric pressure chemical ionization mass spectrometry was performed on a magnetic sector instrument. The LC-LC-MS analysis was carried out on-line by means of direct large volume (11.7 ml) injection (LVI). The performance of both on-line (LVI, 4 ml of sample) and off-line LC-LC-UV (244 nm) analysis was investigated. The latter procedure consisted of a solid-phase extraction (SPE) of 250 ml of water sample on a 500 mg C18 cartridge. The comparative study showed that LC-LC-MS is more selective then LC-LC-UV and, in most cases, more sensitive. The LVI-LC-LC-MS approach combines direct quantification and confirmation of most of the analytes down to a level of 0.01 microg/l in water samples in less then 30 min. As regards LC-LC-UV, the off-line method appeared to be a more viable approach in comparison with the on-line procedure. This method allows the screening of phenylurea's in various types of water samples down to a level of at least 0.05 microg/l. On-line analysis with LVI provided marginal sensitivity (limits of detection of about 0.1 microg/l) and selectivity was sometimes less in case of surface water samples. Both the on-line LVI-LC-LC-MS method and the LC-LC-UV method using off-line SPE were validated by analysing a series of real-life reference samples. These samples were part of an inter-laboratory test and contained residues of herbicides ranging from 0.02 to 0.8 microg/l. Beside good correlation between the methods

  6. Chemical Peels

    Science.gov (United States)

    ... for Every Season How to Choose the Best Skin Care Products In This Section Dermatologic Surgery What is dermatologic ... for Every Season How to Choose the Best Skin Care Products Chemical Peels Uses for Chemical Peels Learn more ...

  7. Chemical Oscillations

    Indian Academy of Sciences (India)

    IMTECH),. Chandigarh. Praveen Kumar is pursuing his PhD in chemical dynamics at. Panjab University,. Chandigarh. Keywords. Chemical oscillations, autoca-. talYSis, Lotka-Volterra model, bistability, hysteresis, Briggs-. Rauscher reaction.

  8. Chemical ecotoxicology

    International Nuclear Information System (INIS)

    Paasivirta, J.

    1991-01-01

    This book discusses risk assessment, chemical cycles, structure-activity relations, organohalogens, oil residues, mercury, sampling and analysis of trace chemicals, and emissions from the forestry industry. Topics include: Cycles of chemicals in the environment. Rick assessment and management, strucuture and toxicity, sampling and analysis of trace chemicals in environment, interpretation of the environmental analysis results, mercury in the environment, organohalogen compounds in the environment, emissions from forestry industry, oil residues in the environment: oil spills in the marine environment

  9. Chemical sensor

    Science.gov (United States)

    Rauh, R. David (Inventor)

    1990-01-01

    A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

  10. Lubrifiants extrême-pression pour engrenages. Aspects chimiques de l'optimisation des performances mécaniques Extreme-Pressure Gear Lubricants: Chemical Aspects for Obtaining Optimum Mechanical Performances

    Directory of Open Access Journals (Sweden)

    Born M.

    2006-11-01

    plusieurs types de dérivés sulfurés et/ou phosphorés sera parfois nécessaire. Enfin, des additifs complémentaires : anticorrosion, en particulier pour protéger les métaux cuivreux, antirouille, antimousse, réducteur de frottement seront sélectionnés en évitant des interactions préjudiciables aux performances mécaniques. La formulation d'additifs destinés aux lubrifiants extrême-pression pour engrenages nécessite donc un choix judicieux des composants de sorte que chacun d'entre-eux puisse assumer correctement sa fonction pour une durée aussi longue que possible. Optimal conditions for engine efficiency rarely correspond to the needs of the end use of energy insofar as rpm and torque are concerned. This is why intermediary mechanisms are needed for making the necessary adjustments, i. e. reducing gears, gear boxes (manual or automatic, transfer cases and rear axles. Modern technology, particularly for transportation, requires the reduction of both the mass and volume of such mechanisms, meaning that greater and greater specific loads must pass through gears. Despite technological progress made in designing and manufacturing gears, their proper lubrication remains a determinant factor. The lubrication of heavily loaded gears requires the use of chemical components called extreme-pressure additives . Among them, phosphorus and sulfur combinations are widely used in industry and will be the only ones considered in this article. Sulfur is the element most often used to obtain extreme-pressure properties. It forms an easily sheared film of iron sulfide on microweldings. Sulfur is present in oil as organic sulfides or polysulfides, but its lability must be adjusted to have a solely local effect without causing any corrosion. A good understanding of the relations between the structure and mechanical properties of polysulfides is required for optimizing the structure of industrial additives. Antiwear properties are usually provided by phosphorus compounds, i. e

  11. [Chemical weapons and chemical terrorism].

    Science.gov (United States)

    Nakamura, Katsumi

    2005-10-01

    Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

  12. Hazardous Chemicals

    Centers for Disease Control (CDC) Podcasts

    Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.

  13. Alarms, Chemical

    Science.gov (United States)

    cited in applicable qualitative materiel requirements, small development requirements, technical characteristics, and other requirements and documentation that pertain to automatic chemical agent alarms.

  14. Chemical oceanography

    National Research Council Canada - National Science Library

    Millero, F.J

    1996-01-01

    Chemical Oceanography presents a comprehensive examination of the chemistry of oceans through discussions of such topics as descriptive physical oceanography, the composition of seawater and the major...

  15. Blood Pressure Test

    Science.gov (United States)

    ... pressure monitors may have some limitations. Tracking your blood pressure readings It can be helpful in diagnosing or ... more Stage 2 high blood pressure (hypertension) Elevated blood pressure and stages 1 and 2 high blood pressure ( ...

  16. Chemical Emergencies - Multiple Languages

    Science.gov (United States)

    ... Chemical Emergencies - bosanski (Bosnian) PDF Chemical Emergencies - English MP3 Chemical Emergencies - bosanski (Bosnian) MP3 Chemical Emergencies - English MP4 Chemical Emergencies - bosanski (Bosnian) ...

  17. Chemical lasers in the visible

    International Nuclear Information System (INIS)

    Jones, C.R.; Broida, H.P.

    1974-01-01

    Since the beginning of the laser era in 1960, a continuing search for chemical lasers has been carried out. This quest has been influenced by the knowledge that many chemical reactions produce visible chemiluminescence and, therefore, partition some of the reaction products into emitting, electronically excited states. Such luminescence has been observed not only from low-pressure, gas-phase reactions, notably those of alkali metals and halogens, but also from a limited number of liquid-phase reactions. (U.S.)

  18. Automated mini-column solid-phase extraction cleanup for high-throughput analysis of chemical contaminants in foods by low-pressure gas chromatography – tandem mass spectrometry

    Science.gov (United States)

    This study demonstrated the application of an automated high-throughput mini-cartridge solid-phase extraction (mini-SPE) cleanup for the rapid low-pressure gas chromatography – tandem mass spectrometry (LPGC-MS/MS) analysis of pesticides and environmental contaminants in QuEChERS extracts of foods. ...

  19. Chemical cleaning of UK AGR boilers

    International Nuclear Information System (INIS)

    Rudge, A.; Turner, P.; Ghosh, S.; Clary, W.; Tice, D.R.

    2002-01-01

    For a number of years, the waterside pressure drops across the advanced gas-cooled reactor (AGR) pod boilers have been increasing. The pressure drop increases have accelerated with time, which is the converse behaviour to that expected for rippled magnetite formation (rapid initial increase slowing down with time). Nonetheless, magnetite deposition remains the most likely cause for the increasing boiler resistances. A number of potential countermeasures have been considered in response to the boiler pressure drop increases. However, there was no detectable reduction in the rate of pressure drop increase. Chemical cleaning was therefore considered and a project to substantiate and then implement chemical cleaning was initiated. (authors)

  20. Hazardous Chemicals

    Centers for Disease Control (CDC) Podcasts

    2007-04-10

    Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.  Created: 4/10/2007 by CDC National Center for Environmental Health.   Date Released: 4/13/2007.

  1. Chemical Peel

    Science.gov (United States)

    ... your expectations. Talk with your doctor about your motivations and expectations, as well as the potential risks. ... the sun permanently to prevent changes in skin color. Keep in mind that chemical peel results might ...

  2. Chemical carcinogens

    National Research Council Canada - National Science Library

    Searle, Charles E

    1976-01-01

    Cancer causing agents are now known to exist throughout the environment-in polluted air and tobacco smoke, in various plants and foods, and in many chemicals that are used in industry and laboratories...

  3. Optical diagnostics of atmospheric pressure air plasmas

    International Nuclear Information System (INIS)

    Laux, C O; Spence, T G; Kruger, C H; Zare, R N

    2003-01-01

    Atmospheric pressure air plasmas are often thought to be in local thermodynamic equilibrium owing to fast interspecies collisional exchange at high pressure. This assumption cannot be relied upon, particularly with respect to optical diagnostics. Velocity gradients in flowing plasmas and/or elevated electron temperatures created by electrical discharges can result in large departures from chemical and thermal equilibrium. This paper reviews diagnostic techniques based on optical emission spectroscopy and cavity ring-down spectroscopy that we have found useful for making temperature and concentration measurements in atmospheric pressure plasmas under conditions ranging from thermal and chemical equilibrium to thermochemical nonequilibrium

  4. Novel determination of polychlorinated naphthalenes in water by liquid chromatography-mass spectrometry with atmospheric pressure photoionization.

    Science.gov (United States)

    Moukas, Athanasios I; Thomaidis, Nikolaos S; Calokerinos, Antony C

    2016-01-01

    This study presents the development, optimization, and validation of a novel method for the determination of polychlorinated naphthalenes (PCNs) by liquid chromatography-atmospheric pressure photoionization (APPI), using toluene as dopant. The mass spectra of PCN 52, 54, 66, 67, 73, and 75 were recorded in negative ionization. The base ions corresponded to [M-Cl+O](-), where M is the analyte molecule. A strategy, which includes designs of experiments, for the development, the evaluation, and the optimization of the LC-APPI-MS/MS methods is also described. Finally, a highly sensitive method with low instrumental limits of detection (LoDs), ranging from 0.8 pg for PCN 75 to 16 pg for PCN 54 on column, was validated. A Thermo Hypersil Green PAH (100 mm × 2.1 mm, 3 μm) column was used with acetonitrile/water/methanol as mobile phase. The method was applied for the determination of the selected PCNs in surface and tap water samples. A simple liquid-liquid extraction method for the extraction of PCNs from water samples was used. Method LoQs ranged from 29 ng L(-1), for PCN 73, to 63 ng L(-1), for PCN 54, and the recoveries ranged from 97 to 99%, for all congeners. This is the first LC-APPI-MS/MS method for the determination of PCNs in water samples.

  5. Determination of aflatoxins in food using LC/MS/MS

    DEFF Research Database (Denmark)

    Vahl, Martin; Jørgensen, Kevin

    1998-01-01

    A liquid chromatography/atmospheric pressure chemical ionization tandem mass spectrometric method is described for the determination of aflatoxins B-1, B-2, G(1) and G(2) in food with the use of aflatoxin M-1 as an internal standard. The method works well with matrices such as those of figs and p...... and peanuts, but there are problems with spices, due to limitations of the clean-up method used....

  6. Improvement of Expansive Soils Using Chemical Stabilizers

    Science.gov (United States)

    Ikizler, S. B.; Senol, A.; Khosrowshahi, S. K.; Hatipoğlu, M.

    2014-12-01

    The aim of this study is to investigate the effect of two chemical stabilizers on the swelling potential of expansive soil. A high plasticity sodium bentonite was used as the expansive soil. The additive materials including fly ash (FA) and lime (L) were evaluated as potential stabilizers to decrease the swelling pressure of bentonite. Depending on the type of additive materials, they were blended with bentonite in different percentages to assess the optimum state and approch the maximum swell pressure reduction. According to the results of swell pressure test, both fly ash and lime reduce the swelling potential of bentonite but the maximum improvement occurs using bentonite-lime mixture while the swelling pressure reduction approaches to 49%. The results reveal a significant reduction of swelling potential of expansive soil using chemical stabilizers. Keywords: Expansive soil; swell pressure; chemical stabilization; fly ash; lime

  7. Chemical sensors

    International Nuclear Information System (INIS)

    Hubbard, C.W.; Gordon, R.L.

    1987-05-01

    The revolution in analytical chemistry promised by recent developments in the field of chemical sensors has potential for significant positive impact on both research and production activities conducted by and for the Department of Energy. Analyses which were, in the past, performed only with a roomful of expensive equipment can now be performed with miniature solid-state electronic devices or small optical probes. Progress in the development of chemical sensors has been rapid, and the field is currently growing at a great rate. In accordance, Pacific Northwest Laboratory initiated a survey of recent literature so that contributors to active programs in research on analytical methods could be made aware of principles and applications of this new technology. This report presents the results of that survey. The sensors discussed here are divided into three types: micro solid-state devices, optical sensors, and piezoelectric crystal devices. The report is divided into three corresponding sections. The first section, ''Micro Solid-State Devices,'' discusses the design, operation, and application of electronic sensors that are produced in much the same way as standard solid-state electronic devices. The second section, ''Optrodes,'' covers the design and operation of chemical sensors that use fiber optics to detect chemically induced changes in optical properties. The final section, ''Piezoelectric Crystal Detectors,'' discusses two types of chemical sensors that depend on the changes in the properties of an oscillating piezoelectric crystal to detect the presence of certain materials. Advantages and disadvantages of each type of sensor are summarized in each section

  8. Low Blood Pressure

    Science.gov (United States)

    ... a problem. Sometimes blood pressure that is too low can also cause problems. Blood pressure is the ... reading is 90/60 or lower, you have low blood pressure. Some people have low blood pressure ...

  9. Low Blood Pressure (Hypotension)

    Science.gov (United States)

    ... lowest at night and rises sharply on waking. Blood pressure: How low can you go? What's considered low ... low blood pressure. Medications that can cause low blood pressure Some medications can cause low blood pressure, including: ...

  10. Normal Pressure Hydrocephalus (NPH)

    Science.gov (United States)

    ... local chapter Join our online community Normal Pressure Hydrocephalus (NPH) Normal pressure hydrocephalus is a brain disorder ... Symptoms Diagnosis Causes & risks Treatments About Normal Pressure Hydrocephalus Normal pressure hydrocephalus occurs when excess cerebrospinal fluid ...

  11. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... of a pressure sore required? play_arrow How long is the typical healing time for a pressure ... arrow Why do some pressure sores take so long to heal? play_arrow Can a pressure sore ...

  12. Modeling Chemical Growth Processes in Titan's Atmosphere: 1. Theoretical Rates for Reactions between Benzene and the Ethynyl (C2H) and Cyano (CN) Radicals at Low Temperature and Pressure

    Science.gov (United States)

    Woon, David E.

    2006-01-01

    Density functional theory calculations at the B3LYP/6-31+G** level were employed to characterize the critical points for adducts, isomers, products, and intervening transition states for the reactions between benzene and the ethynyl (C2H) or cyano (CN) radicals. Both addition reactions were found to have no barriers in their entrance channels, making them efficient at the low temperature and pressure conditions that prevail in the haze-forming region of Titan's atmosphere as well as in the dense interstellar medium (ISM). The dominant products are ethynylbenzene (C6H5C2H) and cyanobenzene (C6H5CN). Hydrogen abstraction reactions were also characterized but found to be non-competitive. Trajectory calculations based on potentials fit to about 600 points calculated at the ROMP2/6-31+G** level for each interaction surface were used to determine reaction rates. The rates incorporated any necessary corrections for back reactions as ascertained from a multiwell treatment used to determine outcome distributions over the range of temperatures and pressures pertinent to Titan and the ISM and are in good agreement with the limited available experimental data.

  13. High-pressure oxidation of ethane

    DEFF Research Database (Denmark)

    Hashemi, Hamid; G. Jacobsen, Jon; Rasmussen, Christian T.

    2017-01-01

    Ethane oxidation at intermediate temperatures and high pressures has been investigated in both a laminar flow reactor and a rapid compression machine (RCM). The flow-reactor measurements at 600–900 K and 20–100 bar showed an onset temperature for oxidation of ethane between 700 and 825 K, depending...... on pressure, stoichiometry, and residence time. Measured ignition delay times in the RCM at pressures of 10–80 bar and temperatures of 900–1025 K decreased with increasing pressure and/or temperature. A detailed chemical kinetic model was developed with particular attention to the peroxide chemistry. Rate...

  14. Dependence of osmotic pressure on solution properties

    International Nuclear Information System (INIS)

    Fritz, S.J.

    1978-01-01

    Hydrostatic pressure, temperature, salt concentration, and the chemical composition of the salt are parameters affecting solution properties. Pressure and temperature have little effect on osmosis, but osmotic pressure variations due to type of dissolved salt may be significant, especially at high concentrations. For a given salt solution, concentration variations cause large differences in osmotic pressure. A representative difference in concentration across a clay layer in a relatively shallow groundwater system might be 100 to 1,000 ppm. When expressed as ppm NaCl, this difference could cause a head difference of 0.8 to 8 meters of water if one of the rock bodies were closed to fluid escape

  15. Chemical pneumonitis

    Science.gov (United States)

    ... cleaning materials such as chlorine bleach, during industrial accidents, or near swimming pools) Grain and fertilizer dust ... and the A.D.A.M. Editorial team. Chemical Emergencies ... about A.D.A.M.'s editorial policy , editorial process and privacy policy . A.D.A.M. is ...

  16. Chemical dispersants

    NARCIS (Netherlands)

    Rahsepar, Shokouhalsadat; Smit, Martijn P.J.; Murk, Albertinka J.; Rijnaarts, Huub H.M.; Langenhoff, Alette A.M.

    2016-01-01

    Chemical dispersants were used in response to the Deepwater Horizon oil spill in the Gulf of Mexico, both at the sea surface and the wellhead. Their effect on oil biodegradation is unclear, as studies showed both inhibition and enhancement. This study addresses the effect of Corexit on oil

  17. Quality Management and Control of Low Pressure Cast Aluminum Alloy

    Science.gov (United States)

    Zhang, Dianxi; Zhang, Yanbo; Yang, Xiufan; Chen, Zhaosong; Jiang, Zelan

    2018-01-01

    This paper briefly reviews the history of low pressure casting and summarizes the major production processes of low pressure casting. It briefly introduces the quality management and control of low pressure cast aluminum alloy. The main processes include are: preparation of raw materials, Melting, refining, physical and chemical analysis, K-mode inspection, sand core, mold, heat treatment and so on.

  18. Chemical Principles Revisited: Chemical Equilibrium.

    Science.gov (United States)

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  19. The influence of methanol on the chemical state of PtRu anodes in a high-temperature direct methanol fuel cell studied in situ by synchrotron-based near-ambient pressure x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Saveleva, Viktoriia A; Savinova, Elena R; Daletou, Maria K

    2017-01-01

    Synchrotron radiation-based near-ambient pressure x-ray photoelectron spectroscopy (NAP-XPS) has recently become a powerful tool for the investigation of interfacial phenomena in electrochemical power sources such as batteries and fuel cells. Here we present an in situ NAP-XPS study of the anode of a high-temperature direct methanol fuel cell with a phosphoric acid-doped hydrocarbon membrane, which reveals an enhanced flooding of the Pt 3 Ru anode with phosphoric acid in the presence of methanol. An analysis of the electrode surface composition depending on the cell voltage and on the presence of methanol reveals the strong influence of the latter on the extent of Pt oxidation and on the transformation of Ru into Ru (IV) hydroxide. (paper)

  20. The influence of methanol on the chemical state of PtRu anodes in a high-temperature direct methanol fuel cell studied in situ by synchrotron-based near-ambient pressure x-ray photoelectron spectroscopy

    Science.gov (United States)

    Saveleva, Viktoriia A.; Daletou, Maria K.; Savinova, Elena R.

    2017-01-01

    Synchrotron radiation-based near-ambient pressure x-ray photoelectron spectroscopy (NAP-XPS) has recently become a powerful tool for the investigation of interfacial phenomena in electrochemical power sources such as batteries and fuel cells. Here we present an in situ NAP-XPS study of the anode of a high-temperature direct methanol fuel cell with a phosphoric acid-doped hydrocarbon membrane, which reveals an enhanced flooding of the Pt3Ru anode with phosphoric acid in the presence of methanol. An analysis of the electrode surface composition depending on the cell voltage and on the presence of methanol reveals the strong influence of the latter on the extent of Pt oxidation and on the transformation of Ru into Ru (IV) hydroxide.

  1. Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

    International Nuclear Information System (INIS)

    Choi, Bum Ho; Lee, Jong Ho

    2014-01-01

    We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10 −6 g/(m 2 day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are free from intermixed interface defects effectively block water vapor permeation into active layer

  2. Line pressure effects on differential pressure measurements

    International Nuclear Information System (INIS)

    Neff, G.G.; Evans, R.P.

    1982-01-01

    The performance of differential pressure transducers in experimental pressurized water reactor (PWR) systems was evaluated. Transient differential pressure measurements made using a simple calibration proportionality relating differential pressure to output voltage could have large measurement uncertainties. A more sophisticated calibration equation was derived to incorporate the effects of zero shifts and sensitivity shifts as pressure in the pressure sensing line changes with time. A comparison made between the original calibration proportionality equation and the derived compensation equation indicates that potential measurement uncertainties can be reduced

  3. Contribution to the optimization of the chemical and radiochemical purification of pressurized water nuclear power plants primary coolant; Contribution a l'optimisation de la purification chimique et radiochimique du fluide primaire des centrales nucleaires a eau sous pression

    Energy Technology Data Exchange (ETDEWEB)

    Elain, L

    2004-12-15

    The primary coolant of pressurised water reactors is permanently purified thanks to a device, composed of filters and the demineralizers furnished with ion exchange resins (IER), located in the chemical and volume control system (CVCS). The study of the retention mechanisms of the radio-contaminants by the IER implies, initially, to know the speciation of the primary coolant percolant through the demineralizers. Calculations of theoretical speciation of the primary coolant were carried out on the basis of known composition of the primary coolant and thanks to the use of an adapted chemical speciation code. A complementary study, dedicated to silver behaviour, considered badly extracted, suggests metallic aggregates existence generated by the radiolytic reduction of the Ag{sup +} ions. An analysis of the purification curves of the elements Ni, Fe, Co, Cr, Mn, Sb and their principal radionuclides, relating to the cold shutdown of Fessenheim 1-cycle 20 and Tricastin 2-cycle 21, was carried out, in the light of a model based on the concept of a coupling well term - source term. Then, a thermodynamic modelling of ion exchange phenomena in column was established. The formation of the permutation front and the enrichment zones planned was validated by frontal analysis experiments of synthetic fluids (mixtures of Ni(B(OH){sub 4}){sub 2}, LiB(OH){sub 4} and AgB(OH){sub 4} in medium B(OH){sub 3})), and of real fluid during the putting into service of the device mini-CVCS at the time of Tricastin 2 cold shutdown. New tools are thus proposed, opening the way with an optimised management of demineralizers and a more complete interpretation of the available experience feedback. (author)

  4. Biomass pyrolysis for chemicals

    Energy Technology Data Exchange (ETDEWEB)

    De Wild, P.

    2011-07-15

    The problems associated with the use of fossil fuels demand a transition to renewable sources (sun, wind, water, geothermal, biomass) for materials and energy where biomass provides the only renewable source for chemicals. In a biorefinery, biomass is converted via different technologies into heat, power and various products. Here, pyrolysis (thermal degradation without added oxygen) of lignocellulosic biomass can play an important role, because it leads to an array of useful chemicals. Examples are furfural and acetic acid from hemicellulose, levoglucosan from cellulose and phenols and biochar from lignin. Since the three major biomass polymers hemicellulose, cellulose and lignin possess dissimilar thermal stabilities and reactivities, type and amount of degradation products are tunable by proper selection of the pyrolysis conditions. To determine if step-wise pyrolysis would be suitable for the production of chemicals, staged degasification of lignocellulosic biomass was studied. Due to limited yields, a hot pressurized water pre-treatment (aquathermolysis) followed by pyrolysis was subsequently developed as an improved version of a staged approach to produce furfural and levoglucosan from the carbohydrate fraction of the biomass. Lignin is the only renewable source for aromatic chemicals. Lignocellulosic biorefineries for bio-ethanol produce lignin as major by-product. The pyrolysis of side-streams into valuable chemicals is of prime importance for a profitable biorefinery. To determine the added-value of lignin side-streams other than their use as fuel for power, application research including techno-economic analysis is required. In this thesis, the pyrolytic valorisation of lignin into phenols and biochar was investigated and proven possible.

  5. Chemical radioprotection

    International Nuclear Information System (INIS)

    Siegel, G.

    1979-01-01

    A reivew of the problems and progress in the field of chemical radioprotection is given. After defining the field of research, the practical significance of radioprotective substances and the requirements for a utilizable radioprotective preparation are presented. Trends of development of this field of research, the state of the art, and resulting conclusions for the future development of radioprotective substances of practical value are discussed. (author)

  6. Household Chemical Emergencies

    Science.gov (United States)

    ... Content Home Be Informed Household Chemical Emergencies Household Chemical Emergencies Although the risk of a chemical accident ... reduce the risk of injury. Before a Household Chemical Emergency It is critical to store household chemicals ...

  7. Foaming Glass Using High Pressure Sintering

    DEFF Research Database (Denmark)

    Østergaard, Martin Bonderup; Petersen, Rasmus Rosenlund; König, Jakob

    Foam glass is a high added value product which contributes to waste recycling and energy efficiency through heat insulation. The foaming can be initiated by a chemical or physical process. Chemical foaming with aid of a foaming agent is the dominant industrial process. Physical foaming has two...... to expand. After heat-treatment foam glass can be obtained with porosities of 80–90 %. In this study we conduct physical foaming of cathode ray tube (CRT) panel glass by sintering under high pressure (5-25 MPa) using helium, nitrogen, or argon at 640 °C (~108 Pa s). Reheating a sample in a heating...... variations. One way is by saturation of glass melts with gas. The other involves sintering of powdered glass under a high gas pressure resulting in glass pellets with high pressure bubbles entrapped. Reheating the glass pellets above the glass transition temperature under ambient pressure allows the bubbles...

  8. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... play_arrow What is "sepsis," and why is it dangerous? play_arrow How common are pressure sores ... likely to develop pressure sores? play_arrow Is it true that a pressure sore can develop in ...

  9. High Blood Pressure

    Science.gov (United States)

    ... normal blood pressure 140/90 or higher is high blood pressure Between 120 and 139 for the top number, ... prehypertension. Prehypertension means you may end up with high blood pressure, unless you take steps to prevent it. High ...

  10. High Blood Pressure Facts

    Science.gov (United States)

    ... Stroke Heart Disease Cholesterol Salt Million Hearts® WISEWOMAN High Blood Pressure Facts Recommend on Facebook Tweet Share Compartir On ... Top of Page CDC Fact Sheets Related to High Blood Pressure High Blood Pressure Pulmonary Hypertension Heart Disease Signs ...

  11. High Blood Pressure (Hypertension)

    Science.gov (United States)

    ... Print Page Text Size: A A A Listen High Blood Pressure (Hypertension) Nearly 1 in 3 American adults has ... weight. How Will I Know if I Have High Blood Pressure? High blood pressure is a silent problem — you ...

  12. ERDA's Chemical Energy Storage Program

    Science.gov (United States)

    Swisher, J. H.; Kelley, J. H.

    1977-01-01

    The Chemical Energy Storage Program is described with emphasis on hydrogen storage. Storage techniques considered include pressurized hydrogen gas storage, cryogenic liquid hydrogen storage, storage in hydride compounds, and aromatic-alicyclic hydrogen storage. Some uses of energy storage are suggested. Information on hydrogen production and hydrogen use is also presented. Applications of hydrogen energy systems include storage of hydrogen for utilities load leveling, industrial marketing of hydrogen both as a chemical and as a fuel, natural gas supplementation, vehicular applications, and direct substitution for natural gas.

  13. Non-polar lipids characterization of Quinoa (Chenopodium quinoa) seed by comprehensive two-dimensional gas chromatography with flame ionization/mass spectrometry detection and non-aqueous reversed-phase liquid chromatography with atmospheric pressure chemical ionization mass spectrometry detection.

    Science.gov (United States)

    Fanali, Chiara; Beccaria, Marco; Salivo, Simona; Tranchida, Peter; Tripodo, Giusy; Farnetti, Sara; Dugo, Laura; Dugo, Paola; Mondello, Luigi

    2015-07-08

    A chemical characterization of major lipid components, namely, triacylglycerols, fatty acids and the unsaponifiable fraction, in a Quinoa seed lipids sample is reported. To tackle such a task, non-aqueous reversed-phase high-performance liquid chromatography with mass spectrometry detection was employed. The latter was interfaced with atmospheric pressure chemical ionization for the analysis of triacylglycerols. The main triacylglycerols (>10%) were represented by OLP, OOL and OLL (P = palmitoyl, O = oleoyl, L = linoleoyl); the latter was present in the oil sample at the highest percentage (18.1%). Furthermore, fatty acid methyl esters were evaluated by gas chromatography with flame ionization detection. 89% of the total fatty acids was represented by unsaturated fatty acid methyl esters with the greatest percentage represented by linoleic and oleic acids accounting for approximately 48 and 28%, respectively. An extensive characterization of the unsaponifiable fraction of Quinoa seed lipids was performed for the first time, by using comprehensive two-dimensional gas chromatography with dual mass spectrometry/flame ionization detection. Overall, 66 compounds of the unsaponifiable fraction were tentatively identified, many constituents of which (particularly sterols) were confirmed by using gas chromatography with high-resolution time-of-flight mass spectrometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Saltstone Osmotic Pressure

    International Nuclear Information System (INIS)

    Nichols, Ralph L.; Dixon, Kenneth L.

    2013-01-01

    Recent research into the moisture retention properties of saltstone suggest that osmotic pressure may play a potentially significant role in contaminant transport (Dixon et al., 2009 and Dixon, 2011). The Savannah River Remediation Closure and Disposal Assessments Group requested the Savannah River National Laboratory (SRNL) to conduct a literature search on osmotic potential as it relates to contaminant transport and to develop a conceptual model of saltstone that incorporates osmotic potential. This report presents the findings of the literature review and presents a conceptual model for saltstone that incorporates osmotic potential. The task was requested through Task Technical Request HLW-SSF-TTR-2013-0004. Simulated saltstone typically has very low permeability (Dixon et al. 2008) and pore water that contains a large concentration of dissolved salts (Flach and Smith 2013). Pore water in simulated saltstone has a high salt concentration relative to pore water in concrete and groundwater. This contrast in salt concentration can generate high osmotic pressures if simulated saltstone has the properties of a semipermeable membrane. Estimates of osmotic pressure using results from the analysis of pore water collected from simulated saltstone show that an osmotic pressure up to 2790 psig could be generated within the saltstone. Most semi-permeable materials are non-ideal and have an osmotic efficiency 3 , KNO 3 , Na 3 PO 4 x12H 2 O, and K 3 PO 4 when exposed to a dilute solution. Typically hydraulic head is considered the only driving force for groundwater in groundwater models. If a low permeability material containing a concentrated salt solution is present in the hydrogeologic sequence large osmotic pressures may develop and lead to misinterpretation of groundwater flow and solute transport. The osmotic pressure in the semi-permeable material can significantly impact groundwater flow in the vicinity of the semi-permeable material. One possible outcome is that

  15. Chemical engineering aspects in medicine

    Energy Technology Data Exchange (ETDEWEB)

    Chmiel, H

    1981-04-01

    Many basic chemical engineering processes are based on transport processes due, for example, to differences in temperature, pressure, and concentration. Such transport processes abound in the healthy circulatory system. Thus, metabolic processes supply the human body with the necessary warmth. The heart serves as a blood pump to provide optimal blood pressure in all vessels. Highly complex membranes in the kidneys ensure the efficient detoxification of the blood. It is therefore natural that the chemical engineer be involved in the solution of a number of biomedical engineering problems that come up in the field of medicine. Some typical tasks are: the characterization of the flow properties of biological fluids; research on the interaction between blood and foreign substances of the purpose of finding materials suitable for temporary or permanent use in the body and the development of blood pumps and artifical substitutes for the lungs, the liver, and the kidneys.

  16. Multiple shell pressure vessel

    International Nuclear Information System (INIS)

    Wedellsborg, B.W.

    1988-01-01

    A method is described of fabricating a pressure vessel comprising the steps of: attaching a first inner pressure vessel having means defining inlet and outlet openings to a top flange, placing a second inner pressure vessel, having means defining inlet and outlet opening, concentric with and spaced about the first inner pressure vessel and attaching the second inner pressure vessel to the top flange, placing an outer pressure vessel, having inlet and outlet openings, concentric with and spaced apart about the second inner pressure vessel and attaching the outer pressure vessel to the top flange, attaching a generally cylindrical inner inlet conduit and a generally cylindrical inner outlet conduit respectively to the inlet and outlet openings in the first inner pressure vessel, attaching a generally cylindrical outer inlet conduit and a generally cylindrical outer outlet conduit respectively to the inlet and outlet opening in the second inner pressure vessel, heating the assembled pressure vessel to a temperature above the melting point of a material selected from the group, lead, tin, antimony, bismuth, potassium, sodium, boron and mixtures thereof, filling the space between the first inner pressure vessel and the second inner pressure vessel with material selected from the group, filling the space between the second inner pressure vessel and the outer pressure vessel with material selected from the group, and pressurizing the material filling the spaces between the pressure vessels to a predetermined pressure, the step comprising: pressurizing the spaces to a pressure whereby the wall of the first inner pressure vessel is maintained in compression during steady state operation of the pressure vessel

  17. Aging considerations for pressurizers in nuclear power plants

    International Nuclear Information System (INIS)

    Ware, A.G.

    1988-01-01

    This paper discusses the degradation mechanisms affecting the residual life of the nuclear pressurized water reactor (PWR) pressurizer and its subcomponents. The major sources of degradation for pressurizers are thermal transients such as plant heatups and cooldowns, internal pressure within the vessel, high intermittent flow through the spray nozzle, differential thermal movement causing rubbing of the immersion heater sheathes, and prolonged exposure to chemical and thermal conditions that can potentially lead to degradation. The latter includes thermal embrittlement of cast stainless steel spray heads and chemically assisted intergranular stress corrosion cracking of stainless steel. Steam leakage that interacts with lubricants used to assemble manway bolted joints can cause corrosion of bolts

  18. Non-equilbrium behavior of low-pressure plasma jets

    International Nuclear Information System (INIS)

    Chang, C.H.; Pfender, E.

    1989-01-01

    After establishing the basic equations, some sample calculations are presented to examine the thermodynamic state of the plasma from atmospheric to low pressures (80 mbar). These results indicate the validity of local thermodynamic equilibrium (LTE) at atmospheric pressure as well as strong deviations from LTE at lower pressures especially in terms of chemical equilibrium. Departures from kinetic equilibrium are not as severe as those from chemical equilibrium along the centerline of the jet. However, there are some departures from transitional equilibrium in the fringes of the jet. It is demonstrated that conventional methods based on the LTE assumption are not appropriate for describing low-pressure plasma jets

  19. Hypertension (High Blood Pressure)

    Science.gov (United States)

    ... Safe Videos for Educators Search English Español Hypertension (High Blood Pressure) KidsHealth / For Teens / Hypertension (High Blood Pressure) What's ... rest temperature diet emotions posture medicines Why Is High Blood Pressure Bad? High blood pressure means a person's heart ...

  20. Metallurgy of steels for PWR pressure vessels

    International Nuclear Information System (INIS)

    Kepka, M.; Mocek, J.; Barackova, L.

    1980-01-01

    A survey and the chemical compositions are presented of reactor pressure vessel steels. The metallurgy is described of steel making for pressure vessels in Japan and the USSR. Both acidic and alkaline open-hearth steel is used for the manufacture of ingots. The leading world manufacturers of forging ingots for pressure vessels, however, exclusively use electric steel. Vacuum casting techniques are exclusively used. Experience is shown gained with the introduction of the manufacture of forging ingots for pressure vessels at SKODA, Plzen. The metallurgical procedure was tested utilizing alkaline open hearths, electric arc furnaces and facilities for vacuum casting of steel. Pure charge raw materials should be used for securing high steel purity. Prior to forging pressure vessel rings, not only should sufficiently big bottoms and heads be removed but also the ingot middle part should be scrapped showing higher contents of impurities and nonhomogeneous structure. (B.S.)

  1. Metallurgy of steels for PWR pressure vessels

    Energy Technology Data Exchange (ETDEWEB)

    Kepka, M; Mocek, J; Barackova, L [Skoda, Plzen (Czechoslovakia)

    1980-09-01

    A survey and the chemical compositions are presented of reactor pressure vessel steels. The metallurgy is described of steel making for pressure vessels in Japan and the USSR. Both acidic and alkaline open-hearth steel is used for the manufacture of ingots. The leading world manufacturers of forging ingots for pressure vessels, however, exclusively use electric steel. Vacuum casting techniques are exclusively used. Experience is shown gained with the introduction of the manufacture of forging ingots for pressure vessels at SKODA, Plzen. The metallurgical procedure was tested utilizing alkaline open hearths, electric arc furnaces and facilities for vacuum casting of steel. Pure charge raw materials should be used for securing high steel purity. Prior to forging pressure vessel rings, not only should sufficiently big bottoms and heads be removed but also the ingot middle part should be scrapped showing higher contents of impurities and nonhomogeneous structure.

  2. CAMEO Chemicals Software

    Science.gov (United States)

    CAMEO Chemicals is an extensive chemical database, available for download, with critical response information for thousands of chemicals, and a tool that tells you what reactions might occur if chemicals were mixed together.

  3. Ammonia Synthesis at Low Pressure.

    Science.gov (United States)

    Cussler, Edward; McCormick, Alon; Reese, Michael; Malmali, Mahdi

    2017-08-23

    Ammonia can be synthesized at low pressure by the use of an ammonia selective absorbent. The process can be driven with wind energy, available locally in areas requiring ammonia for synthetic fertilizer. Such wind energy is often called "stranded," because it is only available far from population centers where it can be directly used. In the proposed low pressure process, nitrogen is made from air using pressure swing absorption, and hydrogen is produced by electrolysis of water. While these gases can react at approximately 400 °C in the presence of a promoted conventional catalyst, the conversion is often limited by the reverse reaction, which makes this reaction only feasible at high pressures. This limitation can be removed by absorption on an ammine-like calcium or magnesium chloride. Such alkaline metal halides can effectively remove ammonia, thus suppressing the equilibrium constraints of the reaction. In the proposed absorption-enhanced ammonia synthesis process, the rate of reaction may then be controlled not by the chemical kinetics nor the absorption rates, but by the rate of the recycle of unreacted gases. The results compare favorably with ammonia made from a conventional small scale Haber-Bosch process.

  4. Solids, liquids, and gases under high pressure

    Science.gov (United States)

    Mao, Ho-Kwang; Chen, Xiao-Jia; Ding, Yang; Li, Bing; Wang, Lin

    2018-01-01

    Pressure has long been recognized as a fundamental thermodynamic variable but its application was previously limited by the available pressure vessels and probes. The development of megabar diamond anvil cells and a battery of associated in-laboratory and synchrotron techniques at the turn of the century have opened a vast new window of opportunities. With the addition of the pressure dimension, we are facing a new world with an order of magnitude more materials to be discovered than all that have been explored at ambient pressure. Pressure drastically and categorically alters all elastic, electronic, magnetic, structural, and chemical properties, and pushes materials across conventional barriers between insulators and superconductors, amorphous and crystalline solids, ionic and covalent compounds, vigorously reactive and inert chemicals, etc. In the process, it reveals surprising high-pressure physics and chemistry and creates novel materials. This review describes the principles and methodology used to reach ultrahigh static pressure: the in situ probes, the physical phenomena to be investigated, the long-pursued goals, the surprising discoveries, and the vast potential opportunities. Exciting examples include the quest for metallic hydrogen, the record-breaking superconducting temperature of 203 K in HnS , the complication of "free-electron gas" alkali metals, the magnetic collapse in 3 d transition elements, the pressure-induced superconductivity from topological insulators, the novel stoichiometry in simple compounds, the interaction of nanoscience, the accomplishment of 750 GPa pressure, etc. These highlights are the integral results of technological achievements, specific measurements, and theoretical advancement; therefore, the same highlights will appear in different sections corresponding to these different aspects. Overall, this review demonstrates that high-pressure research is a new dimension in condensed-matter physics.

  5. Chemical Tool Peer Review Summary.

    Energy Technology Data Exchange (ETDEWEB)

    Cashion, Avery Ted [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cieslewski, Grzegorz [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-10-01

    Chemical tracers are commonly used to characterize fracture networks and to determine the connectivity between the injection and production wells. Currently, most tracer experiments involve injecting the tracer at the injection well, manually collecting liquid samples at the wellhead of the production well, and sending the samples off for laboratory analysis. While this method provides accurate tracer concentration data, it does not provide information regarding the location of the fractures conducting the tracer between wellbores. The goal of this project is to develop chemical sensors and design a prototype tool to help understand the fracture properties of a geothermal reservoir by monitoring tracer concentrations along the depth of the well. The sensors will be able to detect certain species of the ionic tracers (mainly iodide) and pH in-situ during the tracer experiment. The proposed high-temperature (HT) tool will house the chemical sensors as well as a standard logging sensor package of pressure, temperature, and flow sensors in order to provide additional information on the state of the geothermal reservoir. The sensors and the tool will be able to survive extended deployments at temperatures up to 225 °C and high pressures to provide real-time temporal and spatial feedback of tracer concentration. Data collected from this tool will allow for the real-time identification of the fractures conducting chemical tracers between wellbores along with the pH of the reservoir fluid at various depths.

  6. CHEMICAL EVOLUTION

    Energy Technology Data Exchange (ETDEWEB)

    Calvin, Melvin

    1965-06-01

    How did life come to be on the surface of the earth? Darwin himself recognized that his basic idea of evolution by variation and natural selection must be a continuous process extending backward in time through that period in which the first living things arose and into the period of 'Chemical Evolution' which preceded it. We are approaching the examination of these events by two routes. One is to seek for evidence in the ancient rocks of the earth which were laid down prior to that time in which organisms capable of leaving their skeletons in the rocks to be fossilized were in existence. This period is sometime prior to approximately 600 million years ago. The earth is believed to have taken its present form approximately 4700 million years ago. We have found in rocks whose age is about 1000 million years certain organic molecules which are closely related to the green pigment of plants, chlorophyll. This seems to establish that green plants were already fluorishing prior to that time. We have now found in rocks of still greater age, namely, 2500 million years, the same kinds of molecules mentioned above which can be attributed to the presence of living organisms. If these molecules are as old as the rocks, we have thus shortened the time available for the generation of the complex biosynthetic sequences which give rise to these specific hydrocarbons (polyisoprenoids) to less than 2000 million years.

  7. The updated bottom up solution applied to atmospheric pressure photoionization and electrospray ionization mass spectrometry

    Science.gov (United States)

    The Updated Bottom Up Solution (UBUS) was recently applied to atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) of triacylglycerols (TAGs). This report demonstrates that the UBUS applies equally well to atmospheric pressure photoionization (APPI) MS and to electrospray ionizatio...

  8. Origin of Pressure Fluctuations in Fluidized Beds

    Czech Academy of Sciences Publication Activity Database

    Punčochář, Miroslav; Drahoš, Jiří

    2005-01-01

    Roč. 60, č. 5 (2005), s. 1193-1197 ISSN 0009-2509 Institutional research plan: CEZ:AV0Z40720504 Keywords : fluidization * pressure fluctuations * bubbles Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.735, year: 2005

  9. Sludge pipe flow pressure drop prediction using composite power ...

    African Journals Online (AJOL)

    2011-09-30

    Sep 30, 2011 ... 3Department of Chemical Engineering, IIT Kanpur, India. Abstract. When predicting pressure gradients for the flow of sludges in pipes, the rheology of the fluid ..... implicit in the stability analysis of Ryan and Johnson (1959).

  10. Applicable technical method for freeze-substitution of high pressure ...

    African Journals Online (AJOL)

    bmshsj

    2011-11-02

    Quintana, 1994) are available for the microscopic visualization of intracellular organelles. Cryo- fixation, plunge freezing, propane jet freezing, cold metal block freezing, and high pressure freezing provide advantages over chemical ...

  11. Pressure Dome for High-Pressure Electrolyzer

    Science.gov (United States)

    Norman, Timothy; Schmitt, Edwin

    2012-01-01

    A high-strength, low-weight pressure vessel dome was designed specifically to house a high-pressure [2,000 psi (approx. = 13.8 MPa)] electrolyzer. In operation, the dome is filled with an inert gas pressurized to roughly 100 psi (approx. = 690 kPa) above the high, balanced pressure product oxygen and hydrogen gas streams. The inert gas acts to reduce the clamping load on electrolyzer stack tie bolts since the dome pressure acting axially inward helps offset the outward axial forces from the stack gas pressure. Likewise, radial and circumferential stresses on electrolyzer frames are minimized. Because the dome is operated at a higher pressure than the electrolyzer product gas, any external electrolyzer leak prevents oxygen or hydrogen from leaking into the dome. Instead the affected stack gas stream pressure rises detectably, thereby enabling a system shutdown. All electrical and fluid connections to the stack are made inside the pressure dome and require special plumbing and electrical dome interfaces for this to be accomplished. Further benefits of the dome are that it can act as a containment shield in the unlikely event of a catastrophic failure. Studies indicate that, for a given active area (and hence, cell ID), frame outside diameter must become ever larger to support stresses at higher operating pressures. This can lead to a large footprint and increased costs associated with thicker and/or larger diameter end-plates, tie-rods, and the frames themselves. One solution is to employ rings that fit snugly around the frame. This complicates stack assembly and is sometimes difficult to achieve in practice, as its success is strongly dependent on frame and ring tolerances, gas pressure, and operating temperature. A pressure dome permits an otherwise low-pressure stack to operate at higher pressures without growing the electrolyzer hardware. The pressure dome consists of two machined segments. An O-ring is placed in an O-ring groove in the flange of the bottom

  12. Diurnal blood pressure changes.

    Science.gov (United States)

    Asayama, Kei; Satoh, Michihiro; Kikuya, Masahiro

    2018-05-23

    The definition of diurnal blood pressure changes varies widely, which can be confusing. Short-term blood pressure variability during a 24-h period and the dipping status of diurnal blood pressure can be captured by ambulatory blood pressure monitoring, and these metrics are reported to have prognostic significance for cardiovascular complications. Morning blood pressure surge also indicates this risk, but its effect may be limited to populations with specific conditions. Meanwhile, the combined use of conventional office blood pressure and out-of-office blood pressure allows us to identify people with white-coat and masked hypertension. Current home devices can measure nocturnal blood pressure during sleep more conveniently than ambulatory monitoring; however, we should pay attention to blood pressure measurement conditions regardless of whether they are in a home, ambulatory, or office setting. The relatively poor reproducibility of diurnal blood pressure changes, including the nocturnal fall of blood pressure, is another underestimated issue to be addressed. Although information on diurnal blood pressure changes is expected to be used more effectively in the future, we should also keep in mind that blood pressure levels have remained central to the primary and secondary prevention of blood pressure-related cardiovascular diseases in clinical practice.

  13. Diagnostics of atmospheric pressure air plasmas

    International Nuclear Information System (INIS)

    Laux, C.O.; Kruger, C.H.; Zare, R.N.

    2001-01-01

    Atmospheric pressure air plasmas are often thought to be in Local Thermodynamics Equilibrium (LTE) owing to fast interspecies collisional exchanges at high pressure. As will be seen here, this assumption cannot be relied upon, particularly with respect to optical diagnostics. Large velocity gradients in flowing plasmas and/or elevated electron temperatures created by electrical discharges can result in large departures from chemical and thermal equilibrium. Diagnostic techniques based on optical emission spectroscopy (OES) and Cavity Ring-Down Spectroscopy (CRDS) have been developed and applied at Stanford University to the investigation of atmospheric pressure plasmas under conditions ranging from thermal and chemical equilibrium to thermochemical nonequilibrium. This article presents a review of selected temperature and species concentration measurement techniques useful for the study of air and nitrogen plasmas

  14. Bacterial decontamination using ambient pressure nonthermal discharges

    Energy Technology Data Exchange (ETDEWEB)

    Birmingham, J.G.; Hammerstrom, D.J.

    2000-02-01

    Atmospheric pressure nonthermal plasmas can efficiently deactivate bacteria in gases, liquids, and on surfaces, as well as can decompose hazardous chemicals. This paper focuses on the changes to bacterial spores and toxic biochemical compounds, such as mycotoxins, after their treatment in ambient pressure discharges. The ability of nonthermal plasmas to decompose toxic chemicals and deactivate hazardous biological materials has been applied to sterilizing medical instruments, ozonating water, and purifying air. In addition, the fast lysis of bacterial spores and other cells has led us to include plasma devices within pathogen detection instruments, where nucleic acids must be accessed. Decontaminating chemical and biological warfare materials from large, high value targets such as building surfaces, after a terrorist attack, are especially challenging. A large area plasma decontamination technology is described.

  15. Pressure drops in low pressure local boiling

    International Nuclear Information System (INIS)

    Courtaud, Michel; Schleisiek, Karl

    1969-01-01

    For prediction of flow reduction in nuclear research reactors, it was necessary to establish a correlation giving the pressure drop in subcooled boiling for rectangular channels. Measurements of pressure drop on rectangular channel 60 and 90 cm long and with a coolant gap of 1,8 and 3,6 mm were performed in the following range of parameters. -) 3 < pressure at the outlet < 11 bars abs; -) 25 < inlet temperature < 70 deg. C; -) 200 < heat flux < 700 W/cm 2 . It appeared that the usual parameter, relative length in subcooled boiling, was not sufficient to correlate experimental pressure losses on the subcooled boiling length and that there was a supplementary influence of pressure, heat flux and subcooling. With an a dimensional parameter including these terms a correlation was established with an error band of ±10%. With a computer code it was possible to derive the relation giving the overall pressure drop along the channel and to determine the local gradients of pressure drop. These local gradients were then correlated with the above parameter calculated in local conditions. 95 % of the experimental points were computed with an accuracy of ±10% with this correlation of gradients which can be used for non-uniform heated channels. (authors) [fr

  16. Nanocapillary Atmospheric Pressure Plasma Jet: A Tool for Ultrafine Maskless Surface Modification at Atmospheric Pressure.

    Science.gov (United States)

    Motrescu, Iuliana; Nagatsu, Masaaki

    2016-05-18

    With respect to microsized surface functionalization techniques we proposed the use of a maskless, versatile, simple tool, represented by a nano- or microcapillary atmospheric pressure plasma jet for producing microsized controlled etching, chemical vapor deposition, and chemical modification patterns on polymeric surfaces. In this work we show the possibility of size-controlled surface amination, and we discuss it as a function of different processing parameters. Moreover, we prove the successful connection of labeled sugar chains on the functionalized microscale patterns, indicating the possibility to use ultrafine capillary atmospheric pressure plasma jets as versatile tools for biosensing, tissue engineering, and related biomedical applications.

  17. Pressure-driven opening of carbon nanotubes

    Science.gov (United States)

    Chaban, Vitaly V.; Prezhdo, Oleg V.

    2016-03-01

    The closing and opening of carbon nanotubes (CNTs) is essential for their applications in nanoscale chemistry and biology. We report reactive molecular dynamics simulations of CNT opening triggered by internal pressure of encapsulated gas molecules. Confined argon generates 4000 bars of pressure inside capped CNT and lowers the opening temperature by 200 K. Chemical interactions greatly enhance the efficiency of CNT opening: fluorine-filled CNTs open by fluorination of carbon bonds at temperature and pressure that are 700 K and 1000 bar lower than for argon-filled CNTs. Moreover, pressure induced CNT opening by confined gases leaves the CNT cylinders intact and removes only the fullerene caps, while the empty CNT decomposes completely. In practice, the increase in pressure can be achieved by near-infrared light, which penetrates through water and biological tissues and is absorbed by CNTs, resulting in rapid local heating. Spanning over a thousand of bars and Kelvin, the reactive and non-reactive scenarios of CNT opening represent extreme cases and allow for a broad experimental control over properties of the CNT interior and release conditions of the confined species. The detailed insights into the thermodynamic conditions and chemical mechanisms of the pressure-induced CNT opening provide practical guidelines for the development of novel nanoreactors, catalysts, photo-catalysts, imaging labels and drug delivery vehicles.

  18. Chemical and radiochemical specifications - PWR power plants

    International Nuclear Information System (INIS)

    Stutzmann, A.

    1997-01-01

    Published by EDF this document gives the chemical specifications of the PWR (Pressurized Water Reactor) nuclear power plants. Among the chemical parameters, some have to be respected for the safety. These parameters are listed in the STE (Technical Specifications of Exploitation). The values to respect, the analysis frequencies and the time states of possible drops are noticed in this document with the motion STE under the concerned parameter. (A.L.B.)

  19. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... L Sarah Harrison, OT Anne Bryden, OT The Role of the Social Worker after Spinal Cord Injury ... do to prevent pressure sores? play_arrow What role does diet and hydration play in preventing pressure ...

  20. Atmospheric Pressure Indicator.

    Science.gov (United States)

    Salzsieder, John C.

    1995-01-01

    Discusses observable phenomena related to air pressure. Describes a simple, unobtrusive, semiquantitative device to monitor the changes in air pressure that are associated with altitude, using a soft-drink bottle and a balloon. (JRH)

  1. Blood Pressure Medicines

    Science.gov (United States)

    High blood pressure, also called hypertension, usually has no symptoms. But it can cause serious problems such as stroke, heart ... kidney failure. If you cannot control your high blood pressure through lifestyle changes such as losing weight and ...

  2. High blood pressure - adults

    Science.gov (United States)

    ... pressure is found. This is called essential hypertension. High blood pressure that is caused by another medical condition or medicine you are taking is called secondary hypertension. Secondary hypertension may be due to: Chronic ...

  3. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... Injury Medical Expert Videos Topics menu Topics Preventing Pressure Sores Adult Injuries Spinal Cord Injury 101 David Chen, MD Preventing Pressure Sores Mary Zeigler, MS Transition from Hospital to Home ...

  4. Preventing Pressure Sores

    Science.gov (United States)

    ... and how can it be increased? play_arrow What do family members and caregivers need to know about pressure sores? play_arrow What do family members and caregivers need to do to prevent pressure sores? play_ ...

  5. Pressure vessel design manual

    CERN Document Server

    Moss, Dennis R

    2013-01-01

    Pressure vessels are closed containers designed to hold gases or liquids at a pressure substantially different from the ambient pressure. They have a variety of applications in industry, including in oil refineries, nuclear reactors, vehicle airbrake reservoirs, and more. The pressure differential with such vessels is dangerous, and due to the risk of accident and fatality around their use, the design, manufacture, operation and inspection of pressure vessels is regulated by engineering authorities and guided by legal codes and standards. Pressure Vessel Design Manual is a solutions-focused guide to the many problems and technical challenges involved in the design of pressure vessels to match stringent standards and codes. It brings together otherwise scattered information and explanations into one easy-to-use resource to minimize research and take readers from problem to solution in the most direct manner possible. * Covers almost all problems that a working pressure vessel designer can expect to face, with ...

  6. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... play_arrow What do family members and caregivers need to know about pressure sores? play_arrow What do family members and caregivers need to do to prevent pressure sores? play_arrow ...

  7. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... increased? play_arrow What do family members and caregivers need to know about pressure sores? play_arrow What do family members and caregivers need to do to prevent pressure sores? play_ ...

  8. High blood pressure - children

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/007696.htm High blood pressure - children To use the sharing features on this page, please enable JavaScript. High blood pressure (hypertension) is an increase in the force of ...

  9. Preventing High Blood Pressure

    Science.gov (United States)

    ... Heart Disease Cholesterol Salt Million Hearts® WISEWOMAN Preventing High Blood Pressure: Healthy Living Habits Recommend on Facebook Tweet Share ... meal and snack options can help you avoid high blood pressure and its complications. Be sure to eat plenty ...

  10. High blood pressure - infants

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/007329.htm High blood pressure - infants To use the sharing features on this page, please enable JavaScript. High blood pressure (hypertension) is an increase in the force of ...

  11. High blood pressure medications

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/007484.htm High blood pressure medicines To use the sharing features on this page, please enable JavaScript. Treating high blood pressure will help prevent problems such as heart disease, ...

  12. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... especially prone to pressure sores? play_arrow What parts of the body are most likely to develop ... play_arrow How long is the typical healing time for a pressure sore? play_arrow Why do ...

  13. Chemical influences of the environment

    Energy Technology Data Exchange (ETDEWEB)

    Carr, D J

    1961-01-01

    It is possible to consider the chemical effects of the environment in various ways. A distinction can be made, for instance, between chemical and physicochemical effects. The latter would include such phenomena as osmotic pressure, pH, adsorption phenomena and redox potentials. Of these, pH is so universally involved in physiological experiments as to render any treatment of its effects almost superfluous. The measurement and interpretation of redox potentials is so fraught with difficulties that they are of real value only with systems which can be simplified to a few chemical components. In this study of the effects of chemicals on plant growth and development, only such chemicals as occur in natural environments where plants grow will be considered. The effects of synthetic hormones or of fertilizers will, therefore, be neglected, but some attention must be given to certain gases which, as pollutants, must be considered as part of the atmosphere of any industrialized country. They are O/sub 3/, CO, and ethylene.

  14. High-pressure microbiology

    National Research Council Canada - National Science Library

    Michiels, Chris; Bartlett, Douglas Hoyt; Aertsen, Abram

    2008-01-01

    ... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1. High Hydrostatic Pressure Effects in the Biosphere: from Molecules to Microbiology * Filip Meersman and Karel Heremans . . . . . . . . . . . . 2. Effects...

  15. Base Oil-Extreme Pressure Additive Synergy in Lubricants

    Science.gov (United States)

    Extreme pressure (EP) additives are those containing reactive elements such as sulfur, phosphorus, and chlorine. In lubrication processes that occur under extremely severe conditions (e.g., high pressure and/or slow speed), these elements undergo chemical reactions generating new materials (tribofi...

  16. Pressure Effects on the Thermal De-NOx Process

    DEFF Research Database (Denmark)

    Kjærgaard, Karsten; Glarborg, Peter; Dam-Johansen, Kim

    1996-01-01

    effect of the pressure but also cause a slight decrease in the NO reduction potential. The results are consistent with recent atmospheric pressure experiments of thermal de-NOx covering a wide range of reactant partial pressures. Comparisons of the experimental data with the recent chemical kinetic model......The effect of pressure on the thermal de-NOx process has been investigated in flow reactor experiments. The experiments were performed at pressures from 1 to 10 bar and temperatures ranging from 925 to 1375 K. The inlet O-2 level was varied from 1000 ppm to 10%, while NH3 and NO were maintained...... at 1000 and 500 ppm, respectively At the highest pressure, CO was added to shift the regime for NO reduction to lower temperatures. The results show that the pressure affects the location and the width of the temperature window for NO reduction. As the pressure is increased, both the lower and the higher...

  17. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... cord injuries? play_arrow Why are pressure sores so serious? play_arrow What is "sepsis," and why ... pressure sores? play_arrow Why is pressure relief so important when sitting in a wheelchair? play_arrow ...

  18. Pressure dependence of conductivity

    International Nuclear Information System (INIS)

    Bracewell, B.L.; Hochheimer, H.D.

    1993-01-01

    The overall objectives of this work were to attempt the following: (1) Measure the pressure dependence of the electrical conductivity of several quasi-one-dimensional, charge-density-wave solids, including measurements along various crystal directions. (2) Measure photocurrents in selected MX solids at ambient and elevated pressures. (3) Measure the resonance Raman spectra for selected MX solids as a function of pressure

  19. Exchange market pressure

    NARCIS (Netherlands)

    Jager, H.; Klaassen, F.; Durlauf, S.N.; Blume, L.E.

    2010-01-01

    Currencies can be under severe pressure in the foreign exchange market, but in a fixed (or managed) exchange rate regime that is not fully visible via the change in the exchange rate. Exchange market pressure (EMP) is a concept developed to nevertheless measure the pressure in such cases. This

  20. High-pressure apparatus

    NARCIS (Netherlands)

    Schepdael, van L.J.M.; Bartels, P.V.; Berg, van den R.W.

    1999-01-01

    The invention relates to a high-pressure device (1) having a cylindrical high-pressure vessel (3) and prestressing means in order to exert an axial pressure on the vessel. The vessel (3) can have been formed from a number of layers of composite material, such as glass, carbon or aramide fibers which

  1. Chemical Function Predictions for Tox21 Chemicals

    Data.gov (United States)

    U.S. Environmental Protection Agency — Random forest chemical function predictions for Tox21 chemicals in personal care products uses and "other" uses. This dataset is associated with the following...

  2. Radioresistance increase in polymers at high pressures

    International Nuclear Information System (INIS)

    Milinchuk, V.; Kirjukhin, V.; Klinshpont, E.

    1977-01-01

    The effect was studied of very high pressures ranging within 100 and 2,700 MPa on the radioresistance of polytetrafluoroethylene, polypropylene and polyethylene in gamma irradiation. For experiments industrial polymers in the shape of blocks, films and fibres were used. It is shown that in easily breakable polymers, such as polytetrafluoroethylene and polypropylene 1.3 to 2 times less free radicals are formed as a result of gamma irradiation and a pressure of 150 MPa than at normal pressure. The considerably reduced radiation-chemical formation of radicals and the destruction suppression by cross-linking in polymers is the evidence of the polymer radioresistance in irradiation at high pressures. (J.B.)

  3. High-pressure oxidation of methane

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Christensen, Jakob Munkholt; Gersen, Sander

    2016-01-01

    Methane oxidation at high pressures and intermediate temperatures was investigated in a laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor experiments were conducted at 700–900 K and 100 bar for fuel-air equivalence ratios (Φ) ranging from 0.06 to 19.7, all highly...... diluted in nitrogen. It was found that under the investigated conditions, the onset temperature for methane oxidation ranged from 723 K under reducing conditions to 750 K under stoichiometric and oxidizing conditions. The RCM experiments were carried out at pressures of 15–80 bar and temperatures of 800......–1250 K under stoichiometric and fuel-lean (Φ=0.5) conditions. Ignition delays, in the range of 1–100 ms, decreased monotonically with increasing pressure and temperature. A chemical kinetic model for high-pressure methane oxidation was established, with particular emphasis on the peroxide chemistry...

  4. Chemical Weathering on Venus

    Science.gov (United States)

    Zolotov, Mikhail

    2018-01-01

    , volcanic, impact, and atmospheric settings. On highly deformed tessera terrains, more ancient rocks of unknown composition could reflect interactions with putative water-rich atmospheres and even aqueous solutions. Salt-, Fe oxide, or silica-rich formations would indicate past aqueous processes. The apparent diversity of affected solids, surface temperatures, pressures, and gas/fluid compositions throughout Venus's history implies multiple signs of chemical alteration, which remain to be investigated. The current understanding of chemical weathering is limited by the uncertain composition of the deep atmosphere, by the lack of direct data on the phase composition of surface materials, and by the uncertain data on thermodynamics of minerals and their solid solutions. In the preparation for further entry probe and lander missions, rock alteration needs to be investigated through chemical kinetic experiments and calculations of solid-gas(fluid) equilibria to constrain past and present processes.

  5. An electrokinetic pressure sensor

    International Nuclear Information System (INIS)

    Kim, Dong-Kwon; Kim, Sung Jin; Kim, Duckjong

    2008-01-01

    A new concept for a micro pressure sensor is demonstrated. The pressure difference between the inlet and the outlet of glass nanochannels is obtained by measuring the electrokinetically generated electric potential. To demonstrate the proposed concept, experimental investigations are performed for 100 nm wide nanochannels with sodium chloride solutions having various concentrations. The proposed pressure sensor is able to measure the pressure difference within a 10% deviation from linearity. The sensitivity of the electrokinetic pressure sensor with 10 −5 M sodium chloride solution is 18.5 µV Pa −1 , which is one order of magnitude higher than that of typical diaphragm-based pressure sensors. A numerical model is presented for investigating the effects of the concentration and the channel width on the sensitivity of the electrokinetic pressure sensor. Numerical results show that the sensitivity increases as the concentration decreases and the channel width increases

  6. Pressure tube type reactors

    International Nuclear Information System (INIS)

    Komada, Masaoki.

    1981-01-01

    Purpose: To increase the safety of pressure tube type reactors by providing an additional ECCS system to an ordinary ECCS system and injecting heavy water in the reactor core tank into pressure tubes upon fractures of the tubes. Constitution: Upon fractures of pressure tubes, reduction of the pressure in the fractured tubes to the atmospheric pressure in confirmed and the electromagnetic valve is operated to completely isolate the pressure tubes from the fractured portion. Then, the heavy water in the reactor core tank flows into and spontaneously recycles through the pressure tubes to cool the fuels in the tube to prevent their meltdown. By additionally providing the separate ECCS system to the ordinary ECCS system, fuels can be cooled upon loss of coolant accidents to improve the safety of the reactors. (Moriyama, K.)

  7. Pressure (Or No Royal Road)

    Science.gov (United States)

    Bradley, J.

    1973-01-01

    Discusses how difficult the various problems of pressure, partial pressure, gas laws, and vapor pressure are for students. Outlines the evolution of the concept of pressure, the gas equation for a perfect gas, partial pressures, saturated vapor pressure, Avogadro's hypothesis, Raoult's law, and the vapor pressure of ideal solutions. (JR)

  8. Pressure locking test results

    Energy Technology Data Exchange (ETDEWEB)

    DeWall, K.G.; Watkins, J.C.; McKellar, M.G.; Bramwell, D. [Idaho National Engineering Lab., Idaho Falls, ID (United States)] [and others

    1996-12-01

    The U.S. Nuclear Regulatory Commission (NRC), Office of Nuclear Regulatory Research, is funding the Idaho National Engineering Laboratory (INEL) in performing research to provide technical input for their use in evaluating responses to Generic Letter 95-07, {open_quotes}Pressure Locking and Thermal Binding of Safety-Related Power-Operated Gate Valves.{close_quotes} Pressure locking and thermal binding are phenomena that make a closed gate valve difficult to open. This paper discusses only the pressure locking phenomenon in a flexible-wedge gate valve; the authors will publish the results of their thermal binding research at a later date. Pressure locking can occur when operating sequences or temperature changes cause the pressure of the fluid in the bonnet (and, in most valves, between the discs) to be higher than the pressure on the upstream and downstream sides of the disc assembly. This high fluid pressure presses the discs against both seats, making the disc assembly harder to unseat than anticipated by the typical design calculations, which generally consider friction at only one of the two disc/seat interfaces. The high pressure of the bonnet fluid also changes the pressure distribution around the disc in a way that can further contribute to the unseating load. If the combined loads associated with pressure locking are very high, the actuator might not have the capacity to open the valve. The results of the NRC/INEL research discussed in this paper show that the relationship between bonnet pressure and pressure locking stem loads appears linear. The results also show that for this valve, seat leakage affects the bonnet pressurization rate when the valve is subjected to thermally induced pressure locking conditions.

  9. Pressure locking test results

    International Nuclear Information System (INIS)

    DeWall, K.G.; Watkins, J.C.; McKellar, M.G.; Bramwell, D.

    1996-01-01

    The U.S. Nuclear Regulatory Commission (NRC), Office of Nuclear Regulatory Research, is funding the Idaho National Engineering Laboratory (INEL) in performing research to provide technical input for their use in evaluating responses to Generic Letter 95-07, open-quotes Pressure Locking and Thermal Binding of Safety-Related Power-Operated Gate Valves.close quotes Pressure locking and thermal binding are phenomena that make a closed gate valve difficult to open. This paper discusses only the pressure locking phenomenon in a flexible-wedge gate valve; we will publish the results of our thermal binding research at a later date. Pressure locking can occur when operating sequences or temperature changes cause the pressure of the fluid in the bonnet (and, in most valves, between the discs) to be higher than the pressure on the upstream and downstream sides of the disc assembly. This high fluid pressure presses the discs against both seats, making the disc assembly harder to unseat than anticipated by the typical design calculations, which generally consider friction at only one of the two disc/seat interfaces. The high pressure of the bonnet fluid also changes the pressure distribution around the disc in a way that can further contribute to the unseating load. If the combined loads associated with pressure locking are very high, the actuator might not have the capacity to open the valve. The results of the NRC/INEL research discussed in this paper show that the relationship between bonnet pressure and pressure locking stem loads appears linear. The results also show that for this valve, seat leakage affects the bonnet pressurization rate when the valve is subjected to thermally induced pressure locking conditions

  10. Endocrine Disrupting Chemicals (EDCs)

    Science.gov (United States)

    ... Center Pacientes y Cuidadores Hormones and Health The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) Steroid and Hormone ... Hormones and Health › Endocrine Disrupting Chemicals (EDCs) The Endocrine System Hormones Endocrine Disrupting Chemicals (EDCs) EDCs Myth vs. ...

  11. Microfluidic chemical reaction circuits

    Science.gov (United States)

    Lee, Chung-cheng [Irvine, CA; Sui, Guodong [Los Angeles, CA; Elizarov, Arkadij [Valley Village, CA; Kolb, Hartmuth C [Playa del Rey, CA; Huang, Jiang [San Jose, CA; Heath, James R [South Pasadena, CA; Phelps, Michael E [Los Angeles, CA; Quake, Stephen R [Stanford, CA; Tseng, Hsian-rong [Los Angeles, CA; Wyatt, Paul [Tipperary, IE; Daridon, Antoine [Mont-Sur-Rolle, CH

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  12. Chemical Emergencies Overview

    Science.gov (United States)

    ... Address What's this? Submit What's this? Submit Button Chemical Emergencies Overview Recommend on Facebook Tweet Share Compartir ... themselves during and after such an event. What chemical emergencies are A chemical emergency occurs when a ...

  13. LCA of Chemicals and Chemical Products

    DEFF Research Database (Denmark)

    Fantke, Peter; Ernstoff, Alexi

    2018-01-01

    This chapter focuses on the application of Life Cycle Assessment (LCA) to evaluate the environmental performance of chemicals as well as of products and processes where chemicals play a key role. The life cycle stages of chemical products, such as pharmaceuticals drugs or plant protection products......, are discussed and differentiated into extraction of abiotic and biotic raw materials, chemical synthesis and processing, material processing, product manufacturing, professional or consumer product use, and finally end-of-life . LCA is discussed in relation to other chemicals management frameworks and concepts...... including risk assessment , green and sustainable chemistry , and chemical alternatives assessment. A large number of LCA studies focus on contrasting different feedstocks or chemical synthesis processes, thereby often conducting a cradle to (factory) gate assessment. While typically a large share...

  14. Pressure effect on iron based superconductors

    International Nuclear Information System (INIS)

    Arumugam, S.; Kanagaraj, M.

    2011-01-01

    A tuning of macroscopic thermo dynamical parameters such as temperature, pressure and volume play a crucial role in strongly correlated electron systems especially high T c superconductors, which leads to increasing conductivity as well as effective way of reducing intrinsic magnetic moments. Application of chemical and external pressure exhibits significant increases of critical temperature of recently discovered iron pnictides and chalcogenides superconductors. In this present report, we have investigated hydrostatic pressure effects on resistivity and magnetization of some 1111 type based oxypnictide superconductors such as Co doped CeFeAsO, La 0.8 Th 0.2 FeAsO, Ce 0.6 Y 0.4 FeAsO 0.8 F 0.2 and Yb doped CeFeAsO systems respectively. The initially applied pressure increases the T c and its down to lower value when beyond increasing pressure also has been observed and pressure effects on crystal structure were also discussed. From that all the obtained results reveal that controlling of magnetic instability and structure distortion at higher pressure is a dominant way to further developing of T c of these new ferropnictides compounds. (author)

  15. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  16. Ultrasonic sludge pretreatment under pressure.

    Science.gov (United States)

    Le, Ngoc Tuan; Julcour-Lebigue, Carine; Delmas, Henri

    2013-09-01

    The objective of this work was to optimize the ultrasound (US) pretreatment of sludge. Three types of sewage sludge were examined: mixed, secondary and secondary after partial methanisation ("digested" sludge). Thereby, several main process parameters were varied separately or simultaneously: stirrer speed, total solid content of sludge (TS), thermal operating conditions (adiabatic vs. isothermal), ultrasonic power input (PUS), specific energy input (ES), and for the first time external pressure. This parametric study was mainly performed for the mixed sludge. Five different TS concentrations of sludge (12-36 g/L) were tested for different values of ES (7000-75,000 kJ/kgTS) and 28 g/L was found as the optimum value according to the solubilized chemical oxygen demand in the liquid phase (SCOD). PUS of 75-150 W was investigated under controlled temperature and the "high power input - short duration" procedure was the most effective at a given ES. The temperature increase in adiabatic US application significantly improved SCOD compared to isothermal conditions. With PUS of 150 W, the effect of external pressure was investigated in the range of 1-16 bar under isothermal and adiabatic conditions for two types of sludge: an optimum pressure of about 2 bar was found regardless of temperature conditions and ES values. Under isothermal conditions, the resulting improvement of sludge disintegration efficacy as compared to atmospheric pressure was by 22-67% and 26-37% for mixed and secondary sludge, respectively. Besides, mean particle diameter (D[4,3]) of the three sludge types decreased respectively from 408, 117, and 110 μm to about 94-97, 37-42, and 36-40 μm regardless of sonication conditions, and the size reduction process was much faster than COD extraction. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Chemical separation of boron isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Palko, A.A.

    1978-06-01

    This is the final report of the research performed at ORNL on the chemical fractionation of boron isotopes between BF/sub 3/ gas and the liquid molecular addition compounds of BF/sub 3/. Thirty compounds were studied, ten of them in detail. Graphs and equations are given for variation of isotopic equilibrium constant, vapor pressure, and BF/sub 3/ solubility as a function of temperature. Rate of isotopic exchange and melting points were determined. Several of the compounds are likely candidates for use in a gas-liquid countercurrent exchange system for large-scale separation of boron isotopes. 23 figs, 53 tables, 39 references.

  18. Overview of chemical vapor infiltration

    Energy Technology Data Exchange (ETDEWEB)

    Besmann, T.M.; Stinton, D.P.; Lowden, R.A.

    1993-06-01

    Chemical vapor infiltration (CVI) is developing into a commercially important method for the fabrication of continuous filament ceramic composites. Current efforts are focused on the development of an improved understanding of the various processes in CVI and its modeling. New approaches to CVI are being explored, including pressure pulse infiltration and microwave heating. Material development is also proceeding with emphasis on improving the oxidation resistance of the interfacial layer between the fiber and matrix. This paper briefly reviews these subjects, indicating the current state of the science and technology.

  19. Chemical separation of boron isotopes

    International Nuclear Information System (INIS)

    Palko, A.A.

    1978-06-01

    This is the final report of the research performed at ORNL on the chemical fractionation of boron isotopes between BF 3 gas and the liquid molecular addition compounds of BF 3 . Thirty compounds were studied, ten of them in detail. Graphs and equations are given for variation of isotopic equilibrium constant, vapor pressure, and BF 3 solubility as a function of temperature. Rate of isotopic exchange and melting points were determined. Several of the compounds are likely candidates for use in a gas-liquid countercurrent exchange system for large-scale separation of boron isotopes. 23 figs, 53 tables, 39 references

  20. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  1. DEVICE FOR CONTROL OF OXYGEN PARTIAL PRESSURE

    Science.gov (United States)

    Bradner, H.; Gordon, H.S.

    1957-12-24

    A device is described that can sense changes in oxygen partial pressure and cause a corresponding mechanical displacement sufficient to actuate meters, valves and similar devices. A piston and cylinder arrangement contains a charge of crystalline metal chelate pellets which have the peculiar property of responding to variations in the oxygen content of the ambient atmosphere by undergoing a change in dimension. A lever system amplifies the relative displacement of the piston in the cylinder, and actuates the controlled valving device. This partial pressure oxygen sensing device is useful in controlled chemical reactions or in respiratory devices such as the oxygen demand meters for high altitude aircraft.

  2. Pressure vessel failure at high internal pressure

    International Nuclear Information System (INIS)

    Laemmer, H.; Ritter, B.

    1995-01-01

    A RPV failure due to plastic instability was investigated using the ABAQUS finite element code together with a material model of thermal plasticity for large deformations. Not only rotational symmetric temperature distributions were studied, but also 'hot spots'. Calculations show that merely by the depletion of strength of the material - even at internal wall temperatures well below the melting point of the fuel elements of about 2000/2400 C - the critical internal pressure can decrease to values smaller than the operational pressure of 16 Mpa. (orig.)

  3. Enhancing chemical reactions

    Science.gov (United States)

    Morrey, John R.

    1978-01-01

    Methods of enhancing selected chemical reactions. The population of a selected high vibrational energy state of a reactant molecule is increased substantially above its population at thermal equilibrium by directing onto the molecule a beam of radiant energy from a laser having a combination of frequency and intensity selected to pump the selected energy state, and the reaction is carried out with the temperature, pressure, and concentrations of reactants maintained at a combination of values selected to optimize the reaction in preference to thermal degradation by transforming the absorbed energy into translational motion. The reaction temperature is selected to optimize the reaction. Typically a laser and a frequency doubler emit radiant energy at frequencies of .nu. and 2.nu. into an optical dye within an optical cavity capable of being tuned to a wanted frequency .delta. or a parametric oscillator comprising a non-centrosymmetric crystal having two indices of refraction, to emit radiant energy at the frequencies of .nu., 2.nu., and .delta. (and, with a parametric oscillator, also at 2.nu.-.delta.). Each unwanted frequency is filtered out, and each desired frequency is focused to the desired radiation flux within a reaction chamber and is reflected repeatedly through the chamber while reactants are fed into the chamber and reaction products are removed therefrom.

  4. Measuring fluid pressure

    International Nuclear Information System (INIS)

    Lee, A.S.

    1978-01-01

    A method and apparatus are described for measuring the pressure of a fluid having characteristics that make it unsuitable for connection directly to a pressure gauge. The method is particularly suitable for the periodic measurement of the pressure of a supply of liquid Na to Na-lubricated bearings of pumps for pumping Na from a reservoir to the bearing via a filter, the reservoir being contained in a closed vessel containing an inert blanket gas, such as Ar, above the Na. (UK)

  5. Superconductivity at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, N B; Ginzburg, N I

    1969-07-01

    Work published during the last 3 or 4 yrs concerning the effect of pressure on superconductivity is reviewed. Superconducting modifications of Si, Ge, Sb, Te, Se, P and Ce. Change of Fermi surface under pressure for nontransition metals. First experiments on the influence of pressure on the tunneling effect in superconductors provide new information on the nature of the change in phonon and electron energy spectra of metals under hydrostatic compression. 78 references.

  6. Fuel vapor pressure (FVAPRS)

    International Nuclear Information System (INIS)

    Mason, R.E.

    1979-04-01

    A subcode (FVAPRS) is described which calculates fuel vapor pressure. This subcode was developed as part of the fuel rod behavior modeling task performed at EG and G Idaho, Inc. The fuel vapor pressure subcode (FVAPRS), is presented and a discussion of literature data, steady state and transient fuel vapor pressure equations and estimates of the standard error of estimate to be expected with the FVAPRS subcode are included

  7. Pressure cryocooling protein crystals

    Science.gov (United States)

    Kim, Chae Un [Ithaca, NY; Gruner, Sol M [Ithaca, NY

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  8. Pressurized water reactor with reactor pressure vessel

    International Nuclear Information System (INIS)

    Werres, L.

    1985-01-01

    The pressure vessel has a cylindrical jacket with a domed floor. A guide is arranged on the domed floor to even out the flow in the core. It consists of a cylindrical jacket, whose lower end has slots and fins. These fins are welded to the domed floor. (orig./PW)

  9. Pressurized water reactor with reactor pressure vessel

    International Nuclear Information System (INIS)

    Werres, L.

    1980-01-01

    The pressure vessel has a cylindrical jacket with a domed floor. A guide is arranged on the domed floor to even out the flow in the core. It consists of a cylindrical jacket, whose lower end has slots and fins. These fins are welded to the domed floor. (DG) [de

  10. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  11. Design of chemical plant

    International Nuclear Information System (INIS)

    Lee, Dong Il; Kim, Seung Jae; Yang, Jae Ho; Ryu, Hwa Won

    1993-01-01

    This book describes design of chemical plant, which includes chemical engineer and plan for chemical plant, development of chemical process, cost engineering pattern, design and process development, general plant construction plan, project engineering, foundation for economy on assets and depreciation, estimation for cost on capital investment and manufacturing cost, design with computers optimal design and method like fluid mechanics design chemical device and estimation for cost, such as dispatch of material and device writing on design report and appendixes.

  12. Radioresistance increase in polymers at high pressures. [. gamma. rays

    Energy Technology Data Exchange (ETDEWEB)

    Milinchuk, V; KIRJUKHIN, V; KLINSHPONT, E

    1977-06-01

    The effect was studied of very high pressures ranging within 100 and 2,700 MPa on the radioresistance of polytetrafluoroethylene, polypropylene and polyethylene in gamma irradiation. For experiments industrial polymers in the shape of blocks, films and fibers were used. It is shown that in easily breakable polymers, such as polytetrafluoroethylene and polypropylene, 1.3 to 2 times less free radicals are formed as a result of gamma irradiation and a pressure of 150 MPa than at normal pressure. The considerably reduced radiation-chemical formation of radicals and the destruction suppression by cross-linking in polymers is the evidence of the polymer radioresistance in irradiation at high pressures.

  13. The chemical vapor deposition of zirconium carbide onto ceramic substrates

    International Nuclear Information System (INIS)

    Glass A, John Jr.; Palmisiano, Nick Jr.; Welsh R, Edward

    1999-01-01

    Zirconium carbide is an attractive ceramic material due to its unique properties such as high melting point, good thermal conductivity, and chemical resistance. The controlled preparation of zirconium carbide films of superstoichiometric, stoichiometric, and substoichiometric compositions has been achieved utilizing zirconium tetrachloride and methane precursor gases in an atmospheric pressure high temperature chemical vapor deposition system

  14. Preventing Pressure Sores

    Medline Plus

    Full Text Available ... and how can it be increased? play_arrow What do family members and caregivers need to know about pressure sores? play_arrow What do family members and caregivers need to do to prevent pressure sores? play_ ...

  15. High Blood Pressure (Hypertension)

    Science.gov (United States)

    ... other risk factors, like diabetes, you may need treatment. How does high blood pressure affect pregnant women? A few women will get ... HIV, Birth Control Heart Health for Women Pregnancy Menopause More Women's Health ... High Blood Pressure--Medicines to Help You Women and Diabetes Heart ...

  16. High-pressure crystallography

    Science.gov (United States)

    Katrusiak, A.

    2008-01-01

    The history and development of high-pressure crystallography are briefly described and examples of structural transformations in compressed compounds are given. The review is focused on the diamond-anvil cell, celebrating its 50th anniversary this year, the principles of its operation and the impact it has had on high-pressure X-ray diffraction.

  17. Neonatal Pressure Ulcer Prevention.

    Science.gov (United States)

    Scheans, Patricia

    2015-01-01

    The incidence of pressure ulcers in acutely ill infants and children ranges up to 27 percent in intensive care units, with a range of 16-19 percent in NICUs. Anatomic, physiologic, and developmental factors place ill and preterm newborns at risk for skin breakdown. Two case studies illustrate these factors, and best practices for pressure ulcer prevention are described.

  18. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de [Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93040 Regensburg (Germany); Kibies, Patrick; Frach, Roland; Kast, Stefan M., E-mail: stefan.kast@tu-dortmund.de [Physikalische Chemie III, Technische Universität Dortmund, 44227 Dortmund (Germany); Imoto, Sho, E-mail: sho.imoto@theochem.rub.de; Marx, Dominik [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum (Germany); Suladze, Saba; Winter, Roland [Physikalische Chemie I, Technische Universität Dortmund, 44227 Dortmund (Germany)

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  19. Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.

    Science.gov (United States)

    Hölzl, Christoph; Kibies, Patrick; Imoto, Sho; Frach, Roland; Suladze, Saba; Winter, Roland; Marx, Dominik; Horinek, Dominik; Kast, Stefan M

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures--while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute's response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  20. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    International Nuclear Information System (INIS)

    Hölzl, Christoph; Horinek, Dominik; Kibies, Patrick; Frach, Roland; Kast, Stefan M.; Imoto, Sho; Marx, Dominik; Suladze, Saba; Winter, Roland

    2016-01-01

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.