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1. (3-Iminio-1-propenyl)oxy-borates: New Acyclic Betaines from Enaminocarbonyl Compounds and Boron Trifluoride or Triphenylboron – Synthesis, Crystal Structure Analysis, and Quantum Chemical Calculations

Author:
Joachim Nikolai; Gerhard Taubmann; Gerhard Maas
Source:
Zeitschrift für Naturforschung B 2014 v.58 no.2-3 pp. 217-225
ISSN:
1865-7117
Subject:
Lewis acids; boron; crystal structure; gases; infrared spectroscopy; moieties; nuclear magnetic resonance spectroscopy; oxygen; stable isotopes
Abstract:
... Adducts of various acyclic enaminoketones and enaminoaldehydes with the Lewis acids boron trifluoride and triphenylboron were prepared. The adducts were characterized by NMR (¹H, ¹³C, ¹¹B) and IR spectroscopy, FAB-MS, and X-ray crystal structure analysis of the adducts of (E)-3- diethylamino-3-phenyl-2-propenal with BF3 (4a) and BPh₃ (5a), respectively. The adduct formation occurs at the oxygen at ...
DOI:
10.1515/znb-2003-2-303

2. (Co-)combustion behaviors and products of spent potlining and textile dyeing sludge

Author:
Guang Sun; Gang Zhang; Jingyong Liu; Wuming Xie; Fatih Evrendilek; Musa Buyukada
Source:
Journal of cleaner production 2019 v.224 pp. 384-395
ISSN:
0959-6526
Subject:
aluminum; ammonia; calcium; calcium oxide; calcium sulfate; carbon disulfide; combustion; fabrics; ferric oxide; gases; hydrogen cyanide; nitric oxide; nitrogen dioxide; sludge; sodium; sodium fluoride; sodium sulfate; sulfur dioxide; temperature; thermodynamics; toxicity; volatilization
Abstract:
... Co-combustion performances, ashes, gases and thermodynamics were quantified for spent potlining (SPL) and textile dyeing sludge (TDS) (with)out CaO. During the four decomposition stages of the blends according to the (D)TG experiments, the interaction among Na, Ca, F, Al, and S led to CaAl2O4, CaF2, and Na2SO4 which converted inorganic compounds into ash. Increased comprehensive combustion index, ...
DOI:
10.1016/j.jclepro.2019.03.208

3. (Co-)combustion of additives, water hyacinth and sewage sludge: Thermogravimetric, kinetic, gas and thermodynamic modeling analyses

Author:
Jingyong Liu; Limao Huang; Guang Sun; Jiacong Chen; Shengwei Zhuang; Kenlin Chang; Wuming Xie; Jiahong Kuo; Yao He; Shuiyu Sun; Musa Buyukada; Fatih Evrendilek
Source:
Waste management 2018 v.81 pp. 211-219
ISSN:
0956-053X
Subject:
Eichhornia crassipes; activation energy; additives; aluminum oxide; ammonia; biomass; carbon dioxide; combustion; emissions; energy; gases; hydrogen cyanide; magnesium carbonate; magnesium oxide; mass spectrometry; nitrogen dioxide; potassium carbonate; sewage sludge; sodium carbonate; sulfur dioxide; thermodynamic models; thermogravimetry; waste management
Abstract:
... Additives and biomass were co-combusted with sewage sludge (SS) to promote SS incineration treatment and energy generation. (Co-)combustion characteristics of sewage sludge (SS), water hyacinth (WH), and 5% five additives (K2CO3, Na2CO3, Mg2CO3, MgO and Al2O3) were quantified and compared using thermogravimetric-mass spectrometric (TG-MS) and numerical analyses. The combustion performance of SS de ...
DOI:
10.1016/j.wasman.2018.09.030

4. (R)-Desmolactone, A Female-produced Sex Pheromone Component of the Cerambycid Beetle Desmocerus californicus californicus (subfamily Lepturinae)

Author:
Ann M. Ray; Ian P. Swift; J. Steven McElfresh; Ronald L. Alten; Jocelyn G. Millar
Source:
Journal of chemical ecology 2012 v.38 no.2 pp. 157-167
ISSN:
0098-0331
Subject:
Coleoptera; antennae; bioassays; enantiomers; females; gases; headspace analysis; males; sex pheromones
Abstract:
... We report the identification, synthesis, and field bioassays of a female-produced sex attractant pheromone for the cerambycid beetle Desmocerus californicus californicus Horn. Headspace volatiles from females contained a sex-specific compound, (R)-desmolactone [(4R,9Z)-hexadec-9-en-4-olide], which elicited strong responses from the antennae of adult males in coupled gas chromatography-electroanten ...
DOI:
10.1007/s10886-012-0070-5
PubMed:
22350519

5. 011 Computation tools in the service of cryomedicine

Author:
Yoed Rabin
Source:
Cryobiology 2013 v.67 no.3 pp. 401
ISSN:
0011-2240
Subject:
computer hardware; cryosurgery; disease course; gases; geometry; image analysis; medical treatment; models; monitoring; planning; system optimization; temperature
Abstract:
... Cryosurgery practices have evolved over the years in close relationship with concurrent technology developments. Well recognized milestones along the path of development are the beginning of commercial production of liquefied gases at the beginning of the 20th century—leading to the widespread of cryosurgery as a medical treatment, the development of the cryostat by Cooper and Lee in the early 196 ...
DOI:
10.1016/j.cryobiol.2013.09.017

6. 1,1′,1′′-(2,4,6-Trihydroxybenzene-1,3,5-triyl)triethanone tautomerism revisited

Author:
Poul Erik Hansen; Fadhil S. Kamounah; Diana Zhiryakova; Yana Manolova; Liudmil Antonov
Source:
Tetrahedron letters 2014 v.55 pp. 354-357
ISSN:
0040-4039
Subject:
acetonitrile; aggregation behavior; benzene; chemical reactions; chemical structure; cyclohexanes; deuterium; gases; hydrogen bonding; isotopes; methanol; nuclear magnetic resonance spectroscopy; phenolic compounds; solvents
Abstract:
... It has recently been suggested that 1,1′,1′′-(2,4,6-trihydroxybenzene-1,3,5-triyl)triethanone may be tautomeric. Using 13C NMR chemical shifts and deuterium isotope effects on 13C chemical shifts, it is demonstrated that this is not the case. This compound occurs as a strongly hydrogen bonded benzene structure with hydrogen bonds between OH groups and the acetyl groups in both non-polar and hydrog ...
DOI:
10.1016/j.tetlet.2013.11.026

7. 1,2,3-Triazoles: Gas Phase Properties

Author:
Wang Kai; Chen Mu; Wang Qiaoyi; Shi Xiaodong; Lee Jeehiun K.
Source:
Journal of organic chemistry 2013 v.78 no.14 pp. 7249-7258
ISSN:
1520-6904
Subject:
acidity; gases; imports; organic chemistry; tautomers; triazoles
Abstract:
... 1,2,3-Triazoles have come to the forefront as compounds of import in a vast number of applications. The fundamental properties of these species, however, remain largely unknown. Herein, the gas phase properties of 4-phenyl-1,2,3-triazole, benzotriazole, and a series of 1-phenylbenzotriazoles are described. Proton affinity and acidity values are computed and measured. Furthermore, ion–molecule reac ...
DOI:
10.1021/jo4012738

8. 1,2,3-Trimethoxypropane: A Glycerol-Derived Physical Solvent for CO2 Absorption

Author:
Flowers Brian S.; Mittenthal Max S.; Jenkins Alexander H.; Wallace David A.; Whitley John W.; Dennis Grayson P.; Wang Mei; Turner C. Heath; Emel’yanenko Vladimir N.; Verevkin Sergey P.; Bara Jason E.
Source:
ACS sustainable chemistry 2017 v.5 no.1 pp. 911-921
ISSN:
2168-0485
Subject:
absorption; animals; carbon dioxide; gases; glycerol; hydrogen; isomers; solubility; solvents; temperature; triacylglycerols; vapor pressure; viscosity
Abstract:
... 1,2,3-Trimethoxypropane (1,2,3-TMP) is the trimethyl ether of propane-1,2,3-triol, better known as glycerol, which can be derived from triglycerides originating from either plant or animal sources. Despite its simple structure and the ubiquity of its glycerol precursor, successful synthesis of 1,2,3-TMP was only recently reported in the literature, with studies suggesting it may be a “green” and n ...
DOI:
10.1021/acssuschemeng.6b02231

9. 1,2-Propanediol as a Surrogate Molecule of Glycerol for Mechanistic Studies of Selective Hydrodeoxygenation Reactions over Mo₂C and Cu/Mo₂C Surfaces

Author:
Zhexi Lin; Weiming Wan; Jingguang G. Chen
Source:
ACS sustainable chemistry & engineering 2019 v.7 no.9 pp. 8077-8082
ISSN:
2168-0485
Subject:
biodiesel; biomass; catalysts; copper; fuel production; gases; glycerol; models; molybdenum; vapor pressure
Abstract:
... The upgrading of glycerol, a byproduct from biodiesel production, is important for developing more sustainable biomass conversion technologies. Nonetheless, the low vapor pressure and structural complexity of glycerol limit mechanistic studies of gas-phase reactions on model surfaces and powder catalysts. In this work, we demonstrate the feasibility of using 1,2-propanediol (PDO) as a surrogate co ...
DOI:
10.1021/acssuschemeng.9b01051

10. 1,3-Dimethyl-3-silapiperidine: Synthesis, Molecular Structure, and Conformational Analysis by Gas-Phase Electron Diffraction, Low Temperature NMR, IR and Raman Spectroscopy, and Quantum Chemical Calculations

Author:
Shainyan Bagrat A.; Kirpichenko Svetlana V.; Kleinpeter Erich; Shlykov Sergey A.; Osadchiy Dmitriy Yu.; Chipanina Nina N.; Oznobikhina Larisa P.
Source:
Journal of organic chemistry 2013 v.78 no.8 pp. 3939-3947
ISSN:
1520-6904
Subject:
Raman spectroscopy; gases; geometry; molecular conformation; nuclear magnetic resonance spectroscopy; organic chemistry; temperature; thermodynamics
Abstract:
... The first Si–H-containing azasilaheterocycle, 1,3-dimethyl-3-silapiperidine 1, was synthesized, and its molecular structure and conformational properties were studied by gas-phase electron diffraction (GED), low temperature NMR, IR and Raman spectroscopy and quantum chemical calculations. The compound exists as a mixture of two conformers possessing the chair conformation with the equatorial NMe g ...
DOI:
10.1021/jo400289g

11. 1,3-Dioxolane-4-ol Hemiacetal Stores Formaldehyde and Glycolaldehyde in the Gas-Phase

Author:
André K. Eckhardt; Raffael C. Wende; Peter R. Schreiner
Source:
Journal of the American Chemical Society 2018 v.140 no.39 pp. 12333-12336
ISSN:
1520-5126
Subject:
calcium hydroxide; formaldehyde; gases; nuclear magnetic resonance spectroscopy; sugars
Abstract:
... We report the spontaneous gas-phase formation of 1,3-dioxolane-4-ol, a mixed hemiacetal resulting from the addition of glycolaldehyde to formaldehyde. It was spectroscopically characterized by matching matrix IR spectra with coupled cluster computations. The formation of the hemiacetal must be surface-catalyzed owing to the very high computed reaction barrier of 39.8 kcal mol–¹. The reaction barri ...
DOI:
10.1021/jacs.8b07480

12. 1,3-Dipolar cycloaddition of 1H-pyrazinium-3-olate and N1- and C-methyl substituted pyrazinium-3-olates with methyl acrylate: a density functional theory study

Author:
Lydia Rhyman; Hassan H. Abdallah; Sabina Jhaumeer-Laulloo; Luis R. Domingo; John A. Joule; Ponnadurai Ramasami
Source:
Tetrahedron 2011 v.67 no.43 pp. 8383-8391
ISSN:
0040-4020
Subject:
chemical reactions; chemical structure; gases; organic compounds; temperature; thermodynamics
Abstract:
... A DFT study of the 1,3-dipolar cycloaddition of methyl acrylate to 1H-pyrazinium-3-olate and N1- and C-methyl substituted pyrazinium-3-olates, in the gas phase and in THF, has been carried out at the B3LYP/6-31G(d) level. Two stereoisomeric pathways, endo and exo, and two regioisomeric channels, 2-oxo-3,8-diazabicyclo[3.2.1]octane-6-ester and 7-ester products, have been considered. Thermodynamic a ...
DOI:
10.1016/j.tet.2011.08.021

13. 1-Butanol synthesis from ethanol over strontium phosphate hydroxyapatite catalysts with various Sr/P ratios

Author:
Shuhei Ogo; Ayumu Onda; Yukina Iwasa; Kenji Hara; Atsushi Fukuoka; Kazumichi Yanagisawa
Source:
Journal of catalysis 2012 v.296 no. pp. 24-30
ISSN:
0021-9517
Subject:
gases; X-ray photoelectron spectroscopy; hydroxyapatite; catalysts; dimerization; strontium; catalytic activity; ethanol
Abstract:
... Strontium phosphate hydroxyapatites (Sr-HAP) with various Sr/P molar ratios were synthesized under hydrothermal conditions. X-ray photoelectron spectroscopy revealed a close correlation between the near-surface and bulk Sr/P molar ratios of catalyst samples. Sr-HAP catalysts show high 1-butanol selectivity in the gas-phase conversion of ethanol. Sr-HAP catalysts with higher Sr/P molar ratios showe ...
DOI:
10.1016/j.jcat.2012.08.019

14. 1-Dopyl-1,2-(4-hydroxyphenyl)ethene: A flame retardant hardner for epoxy resin

Author:
Bob A. Howell; Gavan W. Lienhart; Veronica J. Livingstone; Darpandeep Aulakh
Source:
Polymer degradation and stability 2020 v.175 pp. 109110
ISSN:
0141-3910
Subject:
bisphenol A; catalysts; epoxides; flame retardants; flammability; gases; heat; polymers; thermal stability
Abstract:
... Treatment of desoxyanisoin with 9,10-dihydro-9-oxaphosphaphenathrene-10-oxide (DOPO) in the presence of an acid catalyst generates an adduct, 1-dopyl-1,2-(4-methoxyphenyl)ethene which may be readily converted to the corresponding diphenolic compound, 1-dopyl-1,2-(4-hydroxyphenyl)ethene (BDE). This material behaves as an effective curing agent for the diglycidyl ether of bisphenol A (DGEBA) to prov ...
DOI:
10.1016/j.polymdegradstab.2020.109110

15. 1-MCP application to prolong avocado shelflife

Author:
I. A. M. Amin; R. Poerwanto; J. G. Kartika
Source:
Acta horticulturae 2016 no.1120 pp. 131-136
ISSN:
0567-7572
Subject:
1-methylcyclopropene; avocados; cell respiration; color; ethylene; fruits; gases; ripening; shelf life; weight loss
Abstract:
... 1-MCP inhibits the activity of ethylene by blocking ethylene perception. For climacteric fruits like avocado, 1-MCP application is expected to delay the climacteric process, so as to extend shelf-life. In this study, 1-MCP application was made in two forms, gases with concentrations of 0, 0.2 and 0.4 µL L-1, and a solution with a concentration of 0, 0.3, and 0.6 µL L-1. The results showed that 1-M ...
DOI:
10.17660/ActaHortic.2016.1120.19

16. 1-Methylthio-1-phenyl-1-silacyclohexane: Synthesis, conformational preferences in gas and solution by GED, NMR and theoretical calculations

Author:
Bagrat A. Shainyan; Elena N. Suslova; Tran Dinh Phien; Sergey A. Shlykov; Matthias Heydenreich; Erich Kleinpeter
Source:
Tetrahedron 2019 pp. -
ISSN:
0040-4020
Subject:
carbon; chemical reactions; chemical structure; gases; nuclear magnetic resonance spectroscopy; organic compounds; quantum mechanics; silicon; stable isotopes; sulfur; temperature
Abstract:
... 1-Methylthio-1-phenyl-1-silacyclohexane 1, the first silacyclohexane with the sulfur atom at silicon, was synthesized and its molecular structure and conformational preferences studied by gas-phase electron diffraction (GED) and low temperature 13C and 29Si NMR spectroscopy (LT NMR). Quantum-chemical calculations were carried out both for the isolated species and solvate complexes in gas and in po ...
DOI:
10.1016/j.tet.2019.130677

17. 10-Month characterization of the aerosol number size distribution and related air quality and meteorology at the Bondville, IL Midwestern background site

Author:
Robert L. Bullard; Ashish Singh; Sybil M. Anderson; Christopher M.B. Lehmann; Charles O. Stanier
Source:
Atmospheric environment 2017 v.154 pp. 348-361
ISSN:
1352-2310
Subject:
sulfur dioxide; air quality; ammonia; gases; winter; meteorology; atmospheric chemistry; aerosols; spring; particulates; burning; summer; optical properties; Illinois
Abstract:
... The aerosol size distribution was measured at a rural continental U.S. location (Bondville, Illinois 40.05∘N and 88.37∘W) for the period July 2013–June 2014. The dehumidified size distribution in the range 3 nm to 2.5 μm was continuously recorded by two scanning mobility particle sizers and an aerodynamic particle sizer. The Illinois measurement site is significant because it is home to one of the ...
DOI:
10.1016/j.atmosenv.2016.12.055

18. 104 Super Critical Nitrogen: Assessing the performance and thermal characteristics of a novel cryosurgical device

Author:
Anthony T. Robilotto; Kristi K. Snyder; Kimberly L. Santucci; John M. Baust; Robert G. Van Buskirk; Andrew A. Gage; John G. Baust
Source:
Cryobiology 2013 v.67 no.3 pp. 427
ISSN:
0011-2240
Subject:
argon (noble gases); cold; cooling; freezing; gases; gels; heat; industry; muscles; nitrogen; swine; temperature; thermal properties
Abstract:
... Today’s cryosurgical devices can be characterized by the type of cryogen employed. The most common, and current industry standard, utilizes a gas undergoing Joule-Thomson (JT) cooling. These gaseous cryogen devices can use small diameter probes that generate freezing temperatures near instantaneous, but due to the sub-optimal heat extraction of gases, often require large numbers of probes and/or e ...
DOI:
10.1016/j.cryobiol.2013.09.110

19. 110th Anniversary: Accurate Modeling of the Simultaneous Absorption of H₂S and CO₂ in Aqueous Amine Solvents

Author:
Ismail I. I. Alkhatib; Luis M. C. Pereira; Lourdes F. Vega
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.16 pp. 6870-6886
ISSN:
1520-5045
Subject:
absorption; amines; carbon dioxide; chemical reactions; equations; ethanolamine; gases; hydrogen sulfide; prediction; process design; screening; solvents; thermodynamic models
Abstract:
... We present results concerning the application of soft statistical associating fluid theory (soft-SAFT), a molecular-based equation, for modeling the absorption of carbon dioxide and hydrogen sulfide in several aqueous amines, including monoethanolamine, diethanolamine, and N-methyldiethanolamine, at conditions of relevance for acid gas separation. The chemisorption of CO₂ and H₂S in aqueous amines ...
DOI:
10.1021/acs.iecr.9b00862

20. 110th Anniversary: Comments on Heterogeneity of Practical Adsorbents

Author:
S. Sircar; T. C. Golden
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.25 pp. 10984-11002
ISSN:
1520-5045
Subject:
activated carbon; adsorbents; adsorption; ethylene; gases; kinetics; liquids; mass transfer; simulation models; sorption isotherms
Abstract:
... Most micro–mesoporous adsorbents used in practical adsorptive fluid (gas and liquid) separation processes are energetically heterogeneous. The adsorbent heterogeneity plays a significant role in establishing the shapes of the equilibrium adsorption isotherms (pure component or mixture), the corresponding heats of adsorption, and the adsorbate mass-transfer rates, which in turn determine the overal ...
DOI:
10.1021/acs.iecr.9b01025

21. 110th Anniversary: Fluidized-Bed Chemical Reactors for Heterogeneously Catalyzed Gas–Solid Reactions: Old and New Applications

Author:
Leslaw Mleczko
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.47 pp. 21173-21186
ISSN:
1520-5045
Subject:
biomass; carbon nanotubes; catalysts; catalytic activity; ethylene; fluidized beds; gases; polymerization; propylene; pyrolysis; rubber; silicon; value-added products; wastes
Abstract:
... In this review, the potential of fluidized-bed technology for heterogeneously catalyzed gas–solid reactions is discussed. This reaction class can be divided into three reaction categories: gas-to-solid (G2S), solid-to-gas (S2G), and solid-to-gas-to-gas (S2G2G). The established examples of G2S reactions are the gas-phase polymerizations of ethylene and propylene. However, other concepts, such as po ...
DOI:
10.1021/acs.iecr.9b03515

22. 110th Anniversary: New Volumetric Frequency Response System for Determining Mass Transfer Mechanisms in Microporous Adsorbents

Author:
Mohammad I. Hossain; Charles E. Holland; Armin D. Ebner; James A. Ritter
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.37 pp. 17462-17474
ISSN:
1520-5045
Subject:
adsorbents; atmospheric pressure; carbon dioxide; differential pressure; gases; heat; mass transfer; pellets; porous media; process design; temperature; zeolites
Abstract:
... A new volumetric frequency response (VFR) system was developed for studying the mass transfer characteristics of gases in microporous adsorbents. For this VFR system, the differential pressure response from a small perturbation in volume was measured in a closed system after equilibrium was established for a gas adsorbate–adsorbent pair at constant temperature and pressure. It operates over a wide ...
DOI:
10.1021/acs.iecr.9b02422

23. 110th Anniversary: Sustainable Synthesis of Zeolites: From Fundamental Research to Industrial Production

Author:
Qinming Wu; Ye Ma; Sai Wang; Xiangju Meng; Feng-Shou Xiao
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.27 pp. 11653-11658
ISSN:
1520-5045
Subject:
adsorption; carbon dioxide; catalytic activity; gases; industrial applications; ion exchange; micropores; nitrogen oxides; porous media; process design; solvents; toxicity; water pollution; zeolites
Abstract:
... Zeolites, as a class of porous materials with ordered networks of micropores, have been widely used for decades in industrial applications such as catalysis, ion exchange, and adsorption and separation. In general, their syntheses are not sustainable, because hydrothermal synthesis requires the presence of costly and toxic organic templates and a large amount of a solvent such as water; the remova ...
DOI:
10.1021/acs.iecr.9b02054

24. 15. Control of ice formation in biological samples

Author:
Ido Braslavsky
Source:
Cryobiology 2015 v.71 no.1 pp. 168
ISSN:
0011-2240
Subject:
binding proteins; cooling; cryopreservation; crystallization; crystals; energy; gases; ice; ice nucleation; liquids; melting; melting point; metabolism; osmotic stress; solidification; solutes; sonication; supercooling; temperature; tissues; viscosity; vitrification; water content
Abstract:
... Lowering the temperature of a biological sample reduces the pace of biochemical metabolism and ultimately stops it altogether. This process, in combination with rewarming the sample with minimal tissue damage, is the essence of cryopreservation. A key obstacle to successful cryopreservation is that, as the biological material is cooled, liquid water within the sample may reorganize into a more sta ...
DOI:
10.1016/j.cryobiol.2015.05.021

25. 185 nm Photoreduction of CO2 to Methane by Water. Influence of the Presence of a Basic Catalyst

Author:
Sastre Francesc; Corma Avelino; García Hermenegildo
Source:
Journal of the American Chemical Society 2012 v.134 no.34 pp. 14137-14141
ISSN:
1520-5126
Subject:
carbon dioxide; carbon monoxide; energy; gases; hydrogen; irradiation; mercury; methane; photocatalysts; photolysis; reducing agents; wavelengths; zeolites
Abstract:
... Photolysis of CO₂ at 185 nm using a Hg lamp in the presence of H₂ or H₂O leads to the formation of CH₄ (after an induction period) and a lesser amount of CO. Using H₂ gas as reducing agent, up to 40% conversion was achieved with almost complete selectivity to methane and energy consumption of 1.55 Gcal/mol. When CO₂ irradiation is carried out in the gas phase in the presence of H₂O, both reagents ...
DOI:
10.1021/ja304930t

26. 1T′-MoS₂, A Promising Candidate for Sensing NOₓ

Author:
Yaoyao Linghu; Chao Wu
Source:
Journal of physical chemistry 2019 v.123 no.16 pp. 10339-10345
ISSN:
1932-7455
Subject:
adsorption; ammonia; carbon dioxide; carbon monoxide; engineering; gases; molybdenum disulfide; nitric oxide; nitrogen dioxide; sulfur dioxide; tensile strength
Abstract:
... Recently, ultrathin MoS₂ sheets in the semiconducting 2H phase have been fabricated into high-performance gas sensors. Here, we investigated the gas-sensing behavior of MoS₂ in the metallic 1T′ phase via first-principles calculations. We found that monolayered and few-layered 1T′-MoS₂ exhibit high selectivity and sensitivity toward NO molecules. Moreover, the adsorption of NO and NO₂ molecules on ...
DOI:
10.1021/acs.jpcc.9b00051

27. 2-(Methylamino)ethanol for CO2 Absorption in a Bubble Reactor

Author:
Folgueira I.; Teijido I.; García-Abuín A.; Gómez-Díaz D.; Rumbo A.
Source:
Energy & Fuels 2014 v.28 no.7 pp. 4737-4745
ISSN:
1520-5029
Subject:
absorption; aqueous solutions; bicarbonates; bioreactors; carbon dioxide; gases; hydrodynamics; hydrolysis; mass transfer; nuclear magnetic resonance spectroscopy
Abstract:
... This paper deals with the study of carbon dioxide capture using 2-(methylamino)ethanol (MAE) aqueous solutions. The reaction was studied in a bubble column reactor (BCR), and the most important aspects of the process, such as the hydrodynamic behavior (bubble size distribution, gas holdup, and interfacial area) and absorption phenomena (load of carbon dioxide and mass-transfer coefficient on the l ...
DOI:
10.1021/ef500923b

28. 2-Propanol As a Co-Guest of Structure II Hydrates in the Presence of Help Gases

Author:
Lee Youngjun; Lee Seungmin; Park Sungwon; Kim Yunju; Lee Jong-Won; Seo Yongwon
Source:
Journal of physical chemistry 2013 v.117 no.8 pp. 2449-2455
ISSN:
1520-5207
Subject:
carbon dioxide; chemical elements; gases; isopropyl alcohol; methane; nuclear magnetic resonance spectroscopy; physical chemistry
Abstract:
... The enclathration of 2-propanol (2-PrOH) as a co-guest of structure II (sII) hydrates in the presence of CH₄ and CO₂ was experimentally verified with a focus on macroscopic phase behaviors and microscopic analytical methods such as powder X-ray diffraction (PXRD) and NMR spectroscopy. 2-PrOH functioned as a hydrate promoter in the CH₄ + 2-PrOH systems, whereas it functioned as an apparent hydrate ...
DOI:
10.1021/jp310487w

29. 2-Pyridone and Derivatives: Gas-Phase Acidity, Proton Affinity, Tautomer Preference, and Leaving Group Ability

Author:
Michelson Anna Zhachkina; Petronico Aaron; Lee Jeehiun K.
Source:
Journal of organic chemistry 2012 v.77 no.4 pp. 1623-1631
ISSN:
1520-6904
Subject:
acidity; chemical reactions; gases; mass spectrometry; moieties; organic chemistry; organic compounds; tautomers
Abstract:
... The fundamental properties of the parent and substituted 2-pyridones (2-pyridone, 3-chloro-2-pyridone, and 3-formyl-2-pyridone) have been examined in the gas phase using computational and experimental mass spectrometry methods. Newly measured acidities and proton affinities are reported and used to ascertain tautomer preference. These particular substrates (as well as additional 3-substituted pyri ...
DOI:
10.1021/jo201991y

30. 220Rn/222Rn Isotope Pair as a Natural Proxy for Soil Gas Transport

Author:
Huxol Stephan; Brennwald Matthias S.; Henneberger Ruth; Kipfer Rolf
Source:
Environmental Science & Technology 2013 v.47 no.24 pp. 14044-14050
ISSN:
1520-5851
Subject:
gases; half life; isotopes; laboratory experimentation; radionuclides; radon; soil air; soil transport processes; tracer techniques
Abstract:
... Radon (Rn) is a naturally occurring radioactive noble gas, which is ubiquitous in soil gas. Especially, its long-lived isotope ²²²Rn (half-life: 3.82 d) gained widespread acceptance as a tracer for gas transport in soils, while the short-lived ²²⁰Rn (half-life: 55.6 s) found less interest in environmental studies. However, in some cases, the application of ²²²Rn as a tracer in soil gas is complex ...
DOI:
10.1021/es4026529

31. 2D profiles of CO2, CH4, N2O and gas diffusivity in a well aerated soil: measurement and Finite Element Modeling

Author:
M. Maier; B. Longdoz; T. Laemmel; H. Schack-Kirchner; F. Lang
Source:
Agricultural and forest meteorology 2017 v.247 pp. 21-33
ISSN:
0168-1923
Subject:
Pinus sylvestris; autumn; carbon dioxide; carbon dioxide production; carbon tetrafluoride; diffusivity; finite element analysis; gases; methane; models; nitrous oxide; physical properties; rhizosphere; roots; soil air; soil profiles; soil sampling; sulfur hexafluoride; topsoil; Germany
Abstract:
... Soil gas fluxes depend on soil gas concentrations and physical properties of a soil. Taking soil samples for physical analysis into the laboratory strongly modifies soil gas concentrations and also cuts roots that sustain the activity in the rhizosphere. Since microbial processes interact with gas concentrations in soil, we need to study gas transport and production in situ.We developed a method t ...
DOI:
10.1016/j.agrformet.2017.07.008

32. 3-Aminopropyltriethoxysilane functionalized inorganic membranes for high temperature CO₂/N₂ separation

Author:
Mayur Ostwal; Rajinder Pal Singh; Steve F. Dec; Mark T. Lusk; J. Douglas Way
Source:
Journal of membrane science 2011 v.369 no.1-2 pp. 139-147
ISSN:
0376-7388
Subject:
activation energy; adsorption; artificial membranes; carbon dioxide; energy; gases; methane; nitrogen; nuclear magnetic resonance spectroscopy; porosity; silica; temperature
Abstract:
... High temperature inorganic membranes may play an important role in the development of economical processes for pre-combustion and/or post-combustion CO₂ capture. The CO₂/N₂ selectivity of mesoporous silica membranes is enhanced by surface modification using APTS (3-aminopropyl-triethoxy silane). Unmodified silica membranes exhibit Knudsen diffusion behavior for most gases but also have some contri ...
DOI:
10.1016/j.memsci.2010.11.053

33. 3-D agricultural air quality modeling: Impacts of NH3/H2S gas–phase reactions and bi-directional exchange of NH3

Author:
Kai Wang; Yang Zhang
Source:
Atmospheric environment 2014 v.98 pp. 554-570
ISSN:
1352-2310
Subject:
air quality; ammonia; ammonium nitrate; atmospheric chemistry; dry deposition; gases; hydrogen sulfide; models; nitrogen; nitrogen content; ozone; particulates; relative humidity; sulfates; sulfur dioxide; temperature; uncertainty; Eastern United States
Abstract:
... Accurately simulating the transport and fate of reduced nitrogen (NHx = ammonia (NH3) + ammonium (NH4+))- and sulfur-containing compounds emitted from agricultural activities represents a major challenge in agricultural air quality modeling. In this study, the Community Multiscale Air Quality (CMAQ) modeling system is further developed and improved by implementing 22 ammonia (NH3)/hydrogen sulfide ...
DOI:
10.1016/j.atmosenv.2014.09.010

34. 31. Computation tools at the forefront of cryosurgery development

Author:
Yoed Rabin
Source:
Cryobiology 2013 v.66 no.3 pp. 351
ISSN:
0011-2240
Subject:
computer hardware; cryosurgery; disease course; gases; geometry; image analysis; medical treatment; models; monitoring; planning; system optimization; temperature
Abstract:
... Cryosurgery practices have evolved over the years in close relationship with concurrent technology developments. Well recognized milestones along the path of development are the beginning of commercial production of liquefied gases at the beginning of the 20th century; leading to the widespread of cryosurgery as a medical treatment, the development of the cryostat by Cooper and Lee in the early 19 ...
DOI:
10.1016/j.cryobiol.2013.02.037

35. 3D Voronoi grid dedicated software for modeling gas migration in deep layered sedimentary formations with TOUGH2-TMGAS

Author:
Stefano Bonduà; Alfredo Battistelli; Paolo Berry; Villiam Bortolotti; Alberto Consonni; Carlo Cormio; Claudio Geloni; Ester Maria Vasini
Source:
Computers and Geosciences 2017 pp. -
ISSN:
0098-3004
Subject:
basins; case studies; computer software; gases; mathematical models; prisms
Abstract:
... As is known, a full three-dimensional (3D) unstructured grid permits a great degree of flexibility when performing accurate numerical reservoir simulations. However, when the Integral Finite Difference Method (IFDM) is used for spatial discretization, constraints (arising from the required orthogonality between the segment connecting the blocks nodes and the interface area between blocks) pose dif ...
DOI:
10.1016/j.cageo.2017.03.008

36. 3D characterisation of the thermohaline structure in the southwestern tropical Atlantic derived from functional data analysis of in situ profiles

Author:
Ramilla V. Assunção; Alex C. Silva; Amédée Roy; Bernard Bourlès; Carlos Henrique S. Silva; Jean-François Ternon; Moacyr Araujo; Arnaud Bertrand
Source:
Progress in oceanography 2020 v.187 pp. 102399
ISSN:
0079-6611
Subject:
autumn; climate; gases; heat transfer; models; nutrient availability; salinity; spring; statistical analysis; Fernando de Noronha
Abstract:
... The dynamic of the thermohaline structure of the upper ocean, which depends on ocean–atmosphere interactions, drives most near surface oceanic processes, including the control of gases and heat fluxes, and nutrient availability in the photic layer. The thermohaline structure of the southwestern tropical Atlantic (SWTA), a key region for diagnosing variation of the Atlantic Meridional Overturning C ...
DOI:
10.1016/j.pocean.2020.102399

37. 3D graphene aerogel-supported SnO₂ nanoparticles for efficient detection of NO₂

Author:
Xin Liu; Jiashan Cui; Jianbo Sun; Xitian Zhang
Source:
RSC advances 2014 v.4 no.43 pp. 22601-22605
ISSN:
2046-2069
Subject:
aerogels; ambient temperature; freeze drying; gases; graphene; graphene oxide; nanocomposites; nanoparticles; nitrogen dioxide; porous media; tin dioxide
Abstract:
... Three-dimensional (3D) graphene aerogel-supported SnO₂ (SGA) nanoparticles (NPs) are presented by a one-pot solvothermal treatment of graphene oxide in the presence of SnCl₄ followed by freeze drying. The size of SnO₂ nanoparticles on the graphene aerogel is as small as 5–10 nm with uniform distribution. The 3D SnO₂–graphene aerogel exhibits interconnected macroporous networks which will be benefi ...
DOI:
10.1039/c4ra02453b

38. 3D in situ observations of the compressibility and pore transport in Sheet Moulding Compounds during the early stages of compression moulding

Author:
D. Ferré Sentis; L. Orgéas; P.J.J. Dumont; S. Rolland du Roscoat; M. Sager; P. Latil
Source:
Composites 2017 v.92 pp. 51-61
ISSN:
1359-835X
Subject:
X-radiation; composite materials; compressibility; compression molding; fiber content; gases; manufacturing; permeability; porosity
Abstract:
... The properties of Sheet Moulding Compounds (SMCs) are altered by their porosity induced during the manufacturing or moulding of these prepregs. To characterise the pore scale mechanisms occurring during SMC flow, 3D synchrotron X-ray images were acquired during the compression of two uncured SMCs. For the high fibre content SMC (50wt%), with a high porosity, pores mainly decreased in size and disa ...
DOI:
10.1016/j.compositesa.2016.10.031

39. 5-Isopropylbarbituric and 2-thiobarbituric acids: An experimental and computational study

Author:
Piotr Szterner; Tiago L.P. Galvão; Luísa M.P.F. Amaral; Maria D.M.C. Ribeiro da Silva; Manuel A.V. Ribeiro da Silva
Source:
Thermochimica acta 2016 v.625 pp. 36-46
ISSN:
0040-6031
Subject:
calorimetry; combustion; enthalpy; equations; gases; sublimation; temperature; thiobarbituric acid
Abstract:
... The standard (pᵒ=0.1MPa) molar energies of combustion, ΔcUmo, for the crystalline 5-isopropylbarbituric and 2-thiobarbituric acids were determined, at the temperature of 298.15K, by static bomb or rotating bomb combustion calorimetry, respectively. For 5-isopropylbarbituric acid, the standard molar enthalpy of sublimation, ΔcrgHmo, at T=298.15K, was derived by Calvet microcalorimetry. The standard ...
DOI:
10.1016/j.tca.2015.12.007

40. 6,6′-Disulfide Cross-Links in Cotton Cellulose; Part II: Effects of Different Cross-Linking Conditions

Author:
Robert F. Schwenker; Leonard Lifland
Source:
Textile research journal v.33 no.2 pp. 107-117
ISSN:
1746-7748
Subject:
cellulose; cotton; cotton fabric; crosslinking; gases; oxidation; textile fibers
Abstract:
... The effects of covalent, intermolecular cross-linking resulting from the introduction into cellulose of thio (SH) groups which are subsequently oxidized to form disulfide (S—S) linkages between the cellulose chains are discussed. When the reactions described herein are carried out on cotton fabrics, there is enhanced wet and/or dry wrinkle recovery, depending upon the mode of thio group oxidation. ...
DOI:
10.1177/004051756303300203

41. 6. Overview of GI indications and cryo technology via flexible endoscopy

Author:
Anthony N. Kalloo
Source:
Cryobiology 2013 v.66 no.3 pp. 344
ISSN:
0011-2240
Subject:
abnormal development; animal models; carbon dioxide; case studies; catheters; clinical trials; cryosurgery; duodenal ulcers; endoscopy; esophagus; freezing; gases; gastritis; gastrointestinal neoplasms; gastrointestinal system; hemorrhage; mucosa; nitrogen; nitrous oxide; temperature
Abstract:
... Since the mid-1960s, Cryotherapy was a technique in search of an indication for gastrointestinal diseases. In those early days, Cryotherapy although hampered by technical challenges was advocated for treating duodenal ulcers, gastric erosions, and hemorrhagic gastritis. By this time, Cryotherapy was showing great promise in other clinical areas such as dermatologic and prostatic conditions. Despit ...
DOI:
10.1016/j.cryobiol.2013.02.012

42. 99Tc immobilization from off-gas waste streams using nickel-doped iron spinel

Author:
Guohui Wang; Wooyong Um; Dong-Sang Kim; Albert A. Kruger
Source:
Journal of hazardous materials 2019 v.364 pp. 69-77
ISSN:
0304-3894
Subject:
X-ray absorption spectroscopy; X-ray diffraction; chromium; digestion; gases; iron; minerals; nickel; waste treatment
Abstract:
... Technetium-99 (⁹⁹Tc) incorporation within stable spinel phases is a novel method for ⁹⁹Tc removal and immobilization from waste streams. In this study, transformation of Ni-doped Fe(OH)₂(s) to spinel minerals, e.g. trevorite (NiFe₂O₄), is explored as a method for removing ⁹⁹Tc from Hanford Waste Treatment and Immobilization Plant (WTP) primary off-gas waste stream simulant. The Fe(OH)₂(s) transfor ...
DOI:
10.1016/j.jhazmat.2018.09.064

43. A 1-D coordination polymer route to catalytically active Co@C nanoparticles

Author:
Anand Pariyar; Siddharth Gopalakrishnan; Joseph Stansbery; Rajankumar L. Patel; Xinhua Liang; Nikolay Gerasimchuk; Amitava Choudhury
Source:
RSC advances 2016 v.6 no.45 pp. 38533-38540
ISSN:
2046-2069
Subject:
carbon; carboxylic acids; catalytic activity; cobalt; coordination polymers; gases; models; nanoparticles; nitrophenols; pyrolysis
Abstract:
... Pyrolysis of a 1-D polymeric cobalt(ii) coordination complex ([Co(BDC)(Mim)₂]ₙ, H₂BDC = benzenedicarboxylic acid; Mim = N-methylimidazole) results in the formation of carbon embedded fcc cobalt nanoparticle composites, Co@C. The as-prepared Co@C shows an agglomerated secondary structure with a highly embedded carbon shell comprising of cobalt nanoparticles of 20–100 nm. These Co@C particles show e ...
DOI:
10.1039/c6ra04650a

44. A 3D CFD model for predicting the temperature distribution in a full scale APU SOFC short stack under transient operating conditions

Author:
A. Al-Masri; M. Peksen; L. Blum; D. Stolten
Source:
Applied energy 2014 v.135 pp. 539-547
ISSN:
0306-2619
Subject:
fuel cells; gases; mass flow; mathematical models; prediction; temperature profiles
Abstract:
... During the development process of solid oxide fuel cells (SOFCs) for Auxiliary Power Unit (APU) applications heat-up experiments are performed with hot gases. The inlet temperatures and the mass flow rates of the hot gases are adjusted experimentally to avoid high local thermal gradients and prevent high stresses in the stack components. In order to reduce the experimental effort needed to achieve ...
DOI:
10.1016/j.apenergy.2014.08.052

45. A CFD approach on the effect of particle size on char entrainment in bubbling fluidised bed reactors

Author:
Papadikis, K.; Gu, S.; Bridgwater, A.V.
Source:
Biomass and bioenergy 2010 v.34 no.1 pp. 21-29
ISSN:
0961-9534
Subject:
gases; simulation models; momentum; fluid mechanics; particle size; sand; computer software; fluidized beds
Abstract:
... The fluid - particle interaction inside a 41.7 mg s-1 fluidised bed reactor is modelled. Three char particles of sizes 500 μm, 250 μm, and 100 μm are injected into the fluidised bed and the momentum transport from the fluidising gas and fluidised sand is modelled. Due to the fluidising conditions and reactor design the char particles will either be entrained from the reactor or remain inside the b ...
DOI:
10.1016/j.biombioe.2009.09.007

46. A CO₂-switchable polymer brush for reversible capture and release of proteins

Author:
Surjith Kumar; Xia Tong; Yves L. Dory; Martin Lepage; Yue Zhao
Source:
Chemical communications 2012 v.49 no.1 pp. 90-92
ISSN:
1364-548X
Subject:
acids; adsorption; carbon dioxide; chemical bases; chemical communication; chemical reactions; gases; nitrogen; pH; polymers; proteins
Abstract:
... We report on a polymer brush that can be switched between extended (hydrated) and collapsed (dehydrated) chain conformational states just by passing CO₂ and an inert gas like N₂ in solution alternately. This conformational change allows for reversible adsorption and release of a protein. In contrast to adding acids and bases for pH change, using gases as the trigger makes it possible to repeat the ...
DOI:
10.1039/c2cc36284h

47. A Capacitance Sensor for Water: Trace Moisture Measurement in Gases and Organic Solvents

Author:
Ohira Shin-Ichi; Goto Kayoko; Toda Kei; Dasgupta Purnendu K.
Source:
Analytical chemistry 2012 v.84 no.20 pp. 8891-8897
ISSN:
1520-6882
Subject:
capacitance; detection limit; dewpoint; dialysis; drying; ethanol; flow injection analysis; gas chromatography; gases; phosphoric acid; relative humidity; solvents; temperature
Abstract:
... The determination of water in various matrices is one of the most important analytical measurements. We report on a high-resolution capacitance-based moisture sensor utilizing a thin film of a perfluorosulfonate ionomer (PFSI)–H₃PO₄ composite in a flow-through configuration, for both gas and liquid samples. Incorporation of H₃PO₄ into a PFSI sensing film improved the limit of detection (LOD) (sign ...
DOI:
10.1021/ac3024069

48. A Closed, Well-oxygenated System for the Determination of the Emission of Carbon Dioxide, Nitrous Oxide, and Ammonia

Author:
P. Fine; A. Feigin; Y. Waisel
Source:
Soil Science Society of America journal 1986 v.50 no.6 pp. 1489-1493
ISSN:
0361-5995
Subject:
ammonia; barium carbonate; carbon dioxide; gases; mineralization; nitrogen; nitrous oxide; oxygen; quantitative analysis; soil; soil sampling
Abstract:
... A simple closed system was set up for the measurement of CO₂, N₂O, and NH₃ emission from soil samples kept under well-oxygenated atmosphere. The system is an adaptation of a method suggested by Cornfield (1961a). Carbon dioxide is precipitated from the atmosphere as BaCO₃, while O₂ is generated from a BaO₂ solution in equivalent amounts. With the aid of the proposed method, the simultaneous and qu ...
DOI:
10.2136/sssaj1986.03615995005000060022x

49. A Compact Kinetic Model for Biomass Pyrolysis at Gasification Conditions

Author:
Goyal Himanshu; Pepiot Perrine
Source:
Energy & Fuels 2017 v.31 no.11 pp. 12120-12132
ISSN:
1520-5029
Subject:
biomass; carbon dioxide; carbon monoxide; fluid mechanics; fluidized beds; fuels; gases; gasification; geometry; hydrogen; kinetics; models; oxygen; polycyclic aromatic hydrocarbons; prediction; pyrolysis
Abstract:
... Computational fluid dynamics (CFD) tools are increasingly gaining importance to obtain detailed insight into biomass gasification. A major shortcoming of the current CFD tools to study biomass gasification is the lack of computationally affordable chemical kinetic models, which allows detailed predictions of the yield and composition of various gas and tar species in complex reactor configurations ...
DOI:
10.1021/acs.energyfuels.7b01634

50. A Comparative Study of Immobilized Nitrifying and Co-Immobilized Nitrifying and Denitrifying Bacteria for Ammonia Removal from Sludge Digester Supernatant

Author:
Hill, Christopher B.; Khan, Eakalak
Source:
Water, air, and soil pollution 2008 v.195 no.1-4 pp. 23-33
ISSN:
0049-6979
Subject:
ammonia; anaerobic digesters; calcium alginate; denitrification; denitrifying bacteria; electrons; gases; hydrogen production; methanol; nitrification; nitrites; nitrogen; sludge
Abstract:
... Bench scale kinetic experiments were conducted to examine the use of cell immobilization in calcium alginate to remove ammonia in anaerobic sludge digester supernatant. Two systems, immobilized nitrifiers and co-immobilized nitrifiers and denitrifiers, were studied with and without the addition of methanol. Results indicated that partial nitrification (to nitrite) was achieved in both systems. The ...
DOI:
10.1007/s11270-008-9724-x