Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

An efficient synthesis of (-)-wodeshiol 1 is described. The key reactions include highly stereoselective aldol condensation of piperonal with the dianion of chiral oxazolidinone, subsequent intramolecular ring cyclization of the aldol product 8 and a diastereocontrolled oxygenation of dilactone 7 in good yield.

Modified calcium oxide as stable solid base catalyst for Aldol ...

Indian Academy of Sciences (India)

A highly efficient and stable solid-base catalyst for Aldol condensation was ... was bonded on surface of CaO chemically and almost no Ca(OH)2 formed during the modification process. ... cation, corrosion and waste generation attract great.

Metal-catalyzed asymmetric aldol reactions

Energy Technology Data Exchange (ETDEWEB)

Dias, Luiz C.; Lucca Junior, Emilio C. de; Ferreira, Marco A. B.; Polo, Ellen C., E-mail: ldias@iqm.unicamp.br [Universidade de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

2012-12-15

The aldol reaction is one of the most powerful and versatile methods for the construction of C-C bonds. Traditionally, this reaction was developed in a stoichiometric version; however, great efforts in the development of chiral catalysts for aldol reactions were performed in recent years. Thus, in this review article, the development of metal-mediated chiral catalysts in Mukaiyama-type aldol reaction, reductive aldol reaction and direct aldol reaction are discussed. Moreover, the application of these catalysts in the total synthesis of complex molecules is discussed. (author)

Peculiar behavior of MWW materials in aldol condensation of furfural and acetone.

Science.gov (United States)

Kikhtyanin, Oleg; Chlubná, Pavla; Jindrová, Tereza; Kubička, David

2014-07-21

MWW family of different structural types (MCM-22, MCM-49, MCM-56 and MCM-36) was used as catalysts for aldol condensation of furfural and acetone studied in a batch reactor at 100 °C, autogenous pressure and a reaction time of 0-4 h. To establish a relation between physico-chemical and catalytic properties of microporous materials, the samples were characterized by XRD, SEM, N2 adsorption, FTIR and TGA. It was found that the acidic solids possessed appreciable activity in the reaction and resulted in the formation of products of aldehyde-ketone interaction. Surprisingly, MCM-22 and MCM-49, i.e. three-dimensional materials containing internal supercages, exhibited higher activity than two MCM-36 catalysts with two-dimensional character having larger accessible external surface area due to expansion of the interlayer space by swelling and pillaring treatments. Moreover, all MWW family catalysts gave higher conversion than the large-pore zeolite BEA. Nevertheless, furfural conversion decreased rapidly for all the studied materials due to coke formation. Unexpectedly, the deactivation was found to be more severe for MCM-36 catalysts than for MCM-22 and MCM-49, which was attributed to the reaction taking place also in supercages that are protected by 10-ring channels from severe coking. In contrast the cups located on the external surface were coked rapidly.

Mechanochemically synthesized LiAlOx catalyst for aqueous aldol condensation of furfural with acetone

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Stepanova L. N.

2017-10-01

Full Text Available In the present study, the mechanochemical method is proposed for synthesis of LiAl-layered double hydroxides (LDHs. This method is eco-friendly and allows obtaining LiAl-LDH under relatively mild conditions (centripetal acceleration of milling bodies 300 m s-2 and in a short period of time (15 minutes. The structures of as-prepared LiAl-LDH, LiAl-mixed oxide (calcined LDH and “activated” LiAl-LDH obtained after rehydration of the corresponding mixed oxide were confirmed by X-ray diffraction. The basicity of LiAlOx was measured by temperature-programmed desorption of CO2 and double isotherm technique. According to data obtained, LiAl-mixed oxide has a significant higher carbon dioxide adsorption capacity compared to MgAlmixed oxides prepared by conventional co-precipitation method. This indicates a large amount of basic surface sites with different strength (strong, medium and weak for Li-containing systems. The formation of “activated” LiAl-LDH having Bronsted basic sites (OH groups in the interlayer space provides an increased catalytic activity of LiAlOx in the reaction of aqueous-phase aldol condensation between furfural and acetone.

Direct catalytic asymmetric aldol-Tishchenko reaction.

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Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu

2004-06-30

A direct catalytic asymmetric aldol reaction of propionate equivalent was achieved via the aldol-Tishchenko reaction. Coupling an irreversible Tishchenko reaction to a reversible aldol reaction overcame the retro-aldol reaction problem and thereby afforded the products in high enantio and diastereoselectivity using 10 mol % of the asymmetric catalyst. A variety of ketones and aldehydes, including propyl and butyl ketones, were coupled efficiently, yielding the corresponding aldol-Tishchenko products in up to 96% yield and 95% ee. Diastereoselectivity was generally below the detection limit of 1H NMR (>98:2). Preliminary studies performed to clarify the mechanism revealed that the aldol products were racemic with no diastereoselectivity. On the other hand, the Tishchenko products were obtained in a highly enantiocontrolled manner.

[Development of boomerang-type intramolecular cascade reactions and application to natural product synthesis].

Science.gov (United States)

Takasu, K

2001-12-01

Intramolecular cascade reaction has received much attention as a powerful methodology to construct a polycyclic framework in organic synthesis. We have been developing "boomerang-type cascade reaction" to construct a variety of polycyclic skeletons efficiently. In the above reactions, a nucleophilic function of substrates changes the character into an electrophile after the initial reaction, and the electrophilic group acts as a nucleophile in the second reaction. That is, the reaction center stepwise moves from one functional group back to the same one via other functional groups. The stream of the electron concerning the cascade reaction is like a locus of boomerang. We show here three different boomerang-type reactions via ionic species or free radicals. 1) Diastereoselective Michael-aldol reaction based on the chiral auxiliary method and enantioselective Michael-aldol reaction by the use of external chiral sources. 2) Short and efficient total syntheses of longifolane sesquiterpenes utilizing intramolecular double Michael addition as a key step. 3) Development of boomerang-type radical cascade reaction of halopolyenes to construct terpenoid skeletons and its regioselectivity.

Catalytic Routes for the Conversion of Biomass Derivatives to Hydrocarbons and/or Platform Chemicals

Energy Technology Data Exchange (ETDEWEB)

Silks, III, Louis A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-10-07

Unprotected carbohydrates were reacted in amine-catalyzed cascade reactions with various methyl ketones to give a direct access to C-glycosides by an operationally simple protocol. As the reaction mechanism,an aldol condensation followed by an intramolecular conjugate addition is assumed.

The effect of the distance between acidic site and basic site immobilized on mesoporous solid on the activity in catalyzing aldol condensation

Science.gov (United States)

Yu, Xiaofang; Yu, Xiaobo; Wu, Shujie; Liu, Bo; Liu, Heng; Guan, Jingqi; Kan, Qiubin

2011-02-01

Acid-base bifunctional heterogeneous catalysts containing carboxylic and amine groups, which were immobilized at defined distance from one another on the mesoporous solid were synthesized by immobilizing lysine onto carboxyl-SBA-15. The obtained materials were characterized by X-ray diffraction (XRD), N 2 adsorption, Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), scanning electron micrographs (SEM), transmission electron micrographs (TEM), elemental analysis, and back titration. Proximal-C-A-SBA-15 with a proximal acid-base distance was more active than maximum-C-A-SBA-15 with a maximum acid-base distance in aldol condensation reaction between acetone and various aldehydes. It appears that the distance between acidic site and basic site immobilized on mesoporous solid should be an essential factor for catalysis optimization.

Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.

Science.gov (United States)

Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide

2018-04-24

We report a bioinspired synthesis of 2,5-dihydropentalene-based chromophores from an aliphatic oligoketone bearing 1,3- and 1,4-diketone subunits. Unlike the natural polyketone sequence, fused five-membered rings were formed via an intramolecular aldol condensation. A subsequent Knoevenagel condensation reaction with malononitrile furnished a multiply cross-conjugated π-system with low-lying LUMO levels. Furthermore, pentalenes obtained from a non-conjugated aliphatic chain exhibited visible absorption and solid-state fluorescence.

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone

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Oleg Kikhtyanin

2018-05-01

Full Text Available MgGa layered double hydroxides (Mg/Ga = 2–4 were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH3-TPD, CO2-TPD, SEM, and DRIFT and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO2-TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO2-TPD curve was attributed to the decomposition of carbonates newly formed by CO2 interaction with interlayer carbonates rather than to CO2 desorption from basic sites. Accordingly, CO2-TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had

Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone.

Science.gov (United States)

Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

2018-01-01

MgGa layered double hydroxides (Mg/Ga = 2-4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH 3 -TPD, CO 2 -TPD, SEM, and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO 2 -TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO 2 -TPD curve was attributed to the decomposition of carbonates newly formed by CO 2 interaction with interlayer carbonates rather than to CO 2 desorption from basic sites. Accordingly, CO 2 -TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically

Synthesis of jet fuel range branched cycloalkanes with mesityl oxide and 2-methylfuran from lignocellulose

Science.gov (United States)

Li, Shanshan; Li, Ning; Wang, Wentao; Li, Lin; Wang, Aiqin; Wang, Xiaodong; Zhang, Tao

2016-09-01

Jet fuel range branched cycloalkanes with high density (0.82 g mL-1) and low freezing point (217-219 K) was first prepared by the solvent-free intramolecular aldol condensation of the trione from the hydrolysis of the alkylation product of mesityl oxide and 2-methylfuran (or the one-pot reaction of mesityl oxide, 2-methylfuran and water), followed by hydrodeoxygenation (HDO).

Preparation and characterization of Mg-Zr mixed oxide aerogels and their application as aldol condensation catalysts.

Science.gov (United States)

Sádaba, Irantzu; Ojeda, Manuel; Mariscal, Rafael; Richards, Ryan; López Granados, Manuel

2012-10-08

A series of Mg-Zr mixed oxides with different nominal Mg/(Mg+Zr) atomic ratios, namely 0, 0.1, 0.2, 0.4, 0.85, and 1, is prepared by alcogel methodology and fundamental insights into the phases obtained and resulting active sites are studied. Characterization is performed by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, N(2) adsorption-desorption isotherms, and thermal and chemical analysis. Cubic Mg(x)Zr(1-x)O(2-x) solid solution, which results from the dissolution of Mg(2+) cations within the cubic ZrO(2) structure, is the main phase detected for the solids with theoretical Mg/(Mg+Zr) atomic ratio ≤0.4. In contrast, the cubic periclase (c-MgO) phase derived from hydroxynitrates or hydroxy precursors predominates in the solid with Mg/(Mg+Zr)=0.85. c-MgO is also incipiently detected in samples with Mg/(Mg+Zr)=0.2 and 0.4, but in these solids the c-MgO phase mostly arises from the segregation of Mg atoms out of the alcogel-derived c-Mg(x)Zr(1-x)O(2-x) phase during the calcination process, and therefore the species c-MgO and c-Mg(x)Zr(1-x)O(2-x) are in close contact. Regarding the intrinsic activity in furfural-acetone aldol condensation in the aqueous phase, these Mg-O-Zr sites located at the interface between c-Mg(x)Zr(1-x)O(2-x) and segregated c-MgO display a much larger intrinsic activity than the other noninterface sites that are present in these catalysts: Mg-O-Mg sites on c-MgO and Mg-O-Zr sites on c-Mg(x)Zr(1-x)O(2-x). The very active Mg-O-Zr sites rapidly deactivate in the furfural-acetone condensation due to the leaching of active phases, deposition of heavy hydrocarbonaceous compounds, and hydration of the c-MgO phase. Nonetheless, these Mg-Zr materials with very high specific surface areas would be suitable solid catalysts for other relevant reactions catalyzed by strong basic sites in nonaqueous environments. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

EncM, a versatile enterocin biosynthetic enzyme involved in Favorskii oxidative rearrangement, aldol condensation, and heterocycle-forming reactions

Science.gov (United States)

Xiang, Longkuan; Kalaitzis, John A.; Moore, Bradley S.

2004-01-01

The bacteriostatic natural product enterocin from the marine microbe “Streptomyces maritimus” has an unprecedented carbon skeleton that is derived from an aromatic polyketide biosynthetic pathway. Its caged tricyclic, nonaromatic core is derived from a linear poly-β-ketide precursor that formally undergoes a Favorskii-like oxidative rearrangement. In vivo characterization of the gene encM through mutagenesis and heterologous biosynthesis demonstrated that its protein product not only is solely responsible for the oxidative C—C rearrangement, but also facilitates two aldol condensations plus two heterocycle forming reactions. In total, at least five chiral centers and four rings are generated by this multifaceted flavoprotein. Heterologous expression of the enterocin biosynthesis genes encABCDLMN in Streptomyces lividans resulted in the formation of the rearranged metabolite desmethyl-5-deoxyenterocin and the shunt products wailupemycins D-G. Addition of the methyltransferase gene encK, which was previously proposed through mutagenesis to additionally assist EncM in the Favorskii rearrangement, shifted the production to the O-methyl derivative 5-deoxyenterocin. The O-methyltransferase EncK seems to be specific for the pyrone ring of enterocin, because bicyclic polyketides bearing pyrone rings are not methylated in vivo. Expression of encM with different combinations of homologous actinorhodin biosynthesis genes did not result in the production of oxidatively rearranged enterocin-actinorhodin hybrid compounds as anticipated, suggesting that wild-type EncM may be specific for its endogenous type II polyketide synthase or for benzoyl-primed polyketide precursors. PMID:15505225

alpha-Methoxymethyl ketones via aldol reaction

Czech Academy of Sciences Publication Activity Database

Kasal, Alexander; Buděšínský, Miloš

2013-01-01

Roč. 69, č. 46 (2013), s. 9663-9674 ISSN 0040-4020 R&D Projects: GA TA ČR(CZ) TE01020028 Institutional support: RVO:61388963 Keywords : NMR * steroids * synthesis * aldol reaction Subject RIV: CC - Organic Chemistry Impact factor: 2.817, year: 2013

Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

Indian Academy of Sciences (India)

Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

Electrochemical Coupling of Biomass-Derived Acids: New C8 Platforms for Renewable Polymers and Fuels.

Science.gov (United States)

Wu, Linglin; Mascal, Mark; Farmer, Thomas J; Arnaud, Sacha Pérocheau; Wong Chang, Maria-Angelica

2017-01-10

Electrolysis of biomass-derived carbonyl compounds is an alternative to condensation chemistry for supplying products with chain length >C 6 for biofuels and renewable materials production. Kolbe coupling of biomass-derived levulinic acid is used to obtain 2,7-octanedione, a new platform molecule only two low process-intensity steps removed from raw biomass. Hydrogenation to 2,7-octanediol provides a chiral secondary diol largely unknown to polymer chemistry, whereas intramolecular aldol condensation followed by hydrogenation yields branched cycloalkanes suitable for use as high-octane, cellulosic gasoline. Analogous electrolysis of an itaconic acid-derived methylsuccinic monoester yields a chiral 2,5-dimethyladipic acid diester, another underutilized monomer owing to lack of availability. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigating Ionic Effects Applied to Water Based Organocatalysed Aldol Reactions

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Joshua P. Delaney

2011-12-01

Full Text Available Saturated aqueous solutions of various common salts were examined for their effect on aqueous aldol reactions catalysted by a highly active C2-symmetric diprolinamide organocatalyst developed in our laboratory. With respect to the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde, deionised water was always a superior medium to salt solutions though some correlation to increasing anion size and depression in enantiomeric excess could be observed. Additionally, the complete inhibition of catalyst activity observed when employing tap water could be alleviated by the inclusion of ethylenediaminetetraacetate (EDTA into the aqueous media prior to reaction initiation. Extension of these reaction conditions demonstrated that these ionic effects vary on a case-to-case basis depending on the ketone/aldehyde combination.

Facile Condensation of Aromatic Aldehydes with Chroman-4-ones and 1-Thiochroman-4-ones Catalysed by Amberlyst-15 under Microwave Irradiation Condition

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Tapas K. Mandal

2011-01-01

Full Text Available Different aromatic aldehydes and cinnamaldehyde undergo cross-aldol condensation with chroman-4-ones and1-thiochroman-4-ones in the presence of amberlyst-15 under microwave irradiation in solvent free condition to afford rapidly the corresponding E-3-arylidene and E-3-cinnamylidene derivatives, respectively, in high yield. This process is simple, efficient and environmentally benign.

Catalyst-free aldol reaction of N-substituted rhodanines on aqueous ...

Indian Academy of Sciences (India)

N S DEVI

2018-02-07

Feb 7, 2018 ... catalytic aldol reaction is very common in organic sol- vents and ... −1. ). 1H NMR and 13C NMR spectra were recorded at 400 and 100 MHz in CDCl3. Chemical shifts ... 2.2 General procedure for the synthesis of rhodanine.

Asymmetric Aldol Additions: A Guided-Inquiry Laboratory Activity on Catalysis

Science.gov (United States)

King, Jorge H. Torres; Wang, Hong; Yezierski, Ellen J.

2018-01-01

Despite the importance of asymmetric catalysis in both the pharmaceutical and commodity chemicals industries, asymmetric catalysis is under-represented in undergraduate chemistry laboratory curricula. A novel guided-inquiry experiment based on the asymmetric aldol addition was developed. Students conduct lab work to compare the effectiveness of…

Asymmetric Alkylation and Aldol Reactions of D-Mannitol-Derived Chiral Oxazolidin-2-one Derivatives

International Nuclear Information System (INIS)

Maeng, Yun Hee; Jun, Jong Gab

2004-01-01

In the preceding article, we have introduced a new chiral oxazolidin-2-one auxiliary (1) derived from a cheap Dmannitol, and demonstrated the chiral selectivity in alkylation, aldol reaction and β-lactam synthesis.1 The present work began with a search for useful chiral directing groups with which to control the chiral selectivity. Because the rigidity of cyclic structures contributes significantly to control of chirality,2 the 1,2:5,6-di-O-cyclohexylidene-Dmannitol (2) was used for the synthesis of oxazolidin-2-one chiral auxiliary (3) comparing the selectivity with the auxiliary (1) in alkylation and aldol reactions.

An Investigation of the Enolization and Isomeric Products Distribution in the Water Promoted Aldol Reaction of Tropinone and Granatanone

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Ryszard Lazny

2016-01-01

Full Text Available The exo,anti/exo,syn-diastereoselectivity of water promoted direct aldol reactions of tropinone and granatanone (pseudopelletierine is strongly dependent on the amount of water added and aromatic aldehyde used. DFT methods were applied to calculate the free energies of tropinone and granatanone enols, transition states, and isomeric aldol products. A theoretical model was verified by comparison of results from several DFT methods and functionals with experiments. The 6-31g(d/CPCM method proved most suited to the problem, although all methods tested predicted similar trends. Explicit inclusion of a water molecule bonded to the amino ketones resulted in increased stability of the enol forms. The dependence of the anti/syn-diastereoselectivity on the amount of water used may be rationalized on the basis of change in the polarity of the reaction medium. The predicted stabilities of competing products agreed with experimental results supporting the notion of thermodynamic control. The isomeric products distributions for the aldol reaction of several aromatic aldehydes in solventless (neat conditions were accurately calculated from free energies of the aldol addition step in the gas phase using B3LYP/6-31g(d method and in aqueous conditions using the CPCM-B3LYP/6-31g(d model. Our methodology can be useful for predicting the outcome of this type of aldol reactions.

Aggregation and Cooperative Effects in the Aldol Reactions of Lithium Enolates

NARCIS (Netherlands)

Larrañaga, O.; de Cózar, A.; Bickelhaupt, F.M.; Zangi, R.; Cossío, F.P.

2013-01-01

Density functional theory and Car-Parrinello molecular dynamics simulations have been carried out for model aldol reactions involving aggregates of lithium enolates derived from acetaldehyde and acetone. Formaldehyde and acetone have been used as electrophiles. It is found that the geometries of the

Aldol Reactions of Axially Chiral 5-Methyl-2-(o-arylimino-3-(o-aryl-thiazolidine-4-ones

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Sule Erol Gunal

2016-06-01

Full Text Available Axially chiral 5-methyl-2-(o-arylimino-3-(o-aryl-thiazolidine-4-ones have been subjected to aldol reactions with benzaldehyde to produce secondary carbinols which have been found to be separable by HPLC on a chiral stationary phase. Based on the reaction done on a single enantiomer resolved via a chromatographic separation from a racemic mixture of 5-methyl-2-(α-naphthylimino-3-(α-naphthyl-thiazolidine-4-one by HPLC on a chiral stationary phase, the aldol reaction was shown to proceed via an enolate intermediate. The axially chiral enolate of the thiazolidine-4-one was found to shield one face of the heterocyclic ring rendering face selectivity with respect to the enolate. The selectivities observed at C-5 of the ring varied from none to 11.5:1 depending on the size of the ortho substituent. Although the aldol reaction proceeded with a lack of face selectivity with respect to benzaldehyde, recrystallization returned highly diastereomerically enriched products.

Cooperative Effects Between Arginine and Glutamic Acid in the Amino Acid-Catalyzed Aldol Reaction.

Science.gov (United States)

Valero, Guillem; Moyano, Albert

2016-08-01

Catalysis of the aldol reaction between cyclohexanone and 4-nitrobenzaldehyde by mixtures of L-Arg and of L-Glu in wet dimethyl sulfoxide (DMSO) takes place with higher enantioselectivity (up to a 7-fold enhancement in the anti-aldol for the 1:1 mixture) than that observed when either L-Glu or L-Arg alone are used as the catalysts. These results can be explained by the formation of a catalytically active hydrogen-bonded complex between both amino acids, and demonstrate the possibility of positive cooperative effects in catalysis by two different α-amino acids. Chirality 28:599-605, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Synthesis of D-manno-heptulose via a cascade aldol/hemiketalization reaction

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Yan Chen

2017-04-01

Full Text Available A [4 + 3] synthesis of D-manno-heptulose is described. The cascade aldol/hemiketalization reaction of a C4 aldehyde with a C3 ketone provides the differentially protected ketoheptose building block, which can be further reacted to furnish target D-manno-heptulose.

Enantioselective H-atom transfer reaction: a strategy to synthesize formaldehyde aldol products.

Science.gov (United States)

Sibi, Mukund P; Patil, Kalyani

2005-04-14

[reaction: see text] Enantioselective radical alkylation of Baylis-Hillman adducts furnished aldol products in good yield and selectivity. The results illustrate that the selectivity in the hydrogen atom transfer is dependent on the size of the ester substituent, with smaller substituents providing better enantioselectivity.

Aldol condensation of furfural with acetone over ion-exchanged and impregnated potassium BEA zeolites

Czech Academy of Sciences Publication Activity Database

Kikhtyanin, O.; Bulánek, R.; Frolich, K.; Čejka, Jiří; Kubička, D.

2016-01-01

Roč. 424, DEC 2016 (2016), s. 358-368 ISSN 1381-1169 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : activated hydrotalcites * carbon-monoxide * cyclic-ketones * Acetone * Furfural * Condensation * Potassium-BEA * Zeolite Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.211, year: 2016

1,5-Asymmetric induction in the boron-mediated aldol reaction of β-oxygenated methyl ketones

International Nuclear Information System (INIS)

Dias, Luiz C.

2007-01-01

High levels of substrate-based 1,5-stereo induction are obtained in the boron-mediated aldol reactions of β-oxygenated methyl ketones with achiral and chiral aldehydes. Remote induction from the boron enolates gives the 1,5-anti adducts, with the enolate pi-facial selectivity critically dependent upon the nature of the beta-alkoxy protecting group. This 1,5-anti aldol methodology has been strategically employed in the total synthesis of several natural products. At present, the origin of the high level of 1,5-anti induction obtained with the boron enolates is unclear, although a model based on a hydrogen bonding between the alkoxy oxygen and the formyl hydrogen has been recently proposed. (author)

Cyclopentanone: A raw material for production of C15 and C17 fuel precursors

International Nuclear Information System (INIS)

Hronec, Milan; Fulajtárova, Katarína; Liptaj, Tibor; Štolcová, Magdaléna; Prónayová, Naďa; Soták, Tomáš

2014-01-01

The synthesis of diesel or jet fuels intermediates from furfural or 5-hydroxymethylfurfural (HMF) via aqueous aldol-condensation with cyclopentanone was studied. Cyclopentanone is the product of furfural rearrangement in an aqueous system. Since the aldol-condensation reaction is conducted in an aqueous solution all these biomass-derived reactants can be applied as water solutions formed in the processes of their preparation. The aldol condensation of furfural with cyclopentanone is at low concentration of base and molar ratio of reactants 2:1 highly selective and after 40–80 min of reaction at a temperature of 40–100 °C more than 95 mol% yield of 2,5-bis (2-furylmethylidene) cyclopentan-1-one (F 2 C) was obtained. When instead of furfural as a reactant HMF was used higher than 98 mol% yield of 2,5-bis (5-hydroxymethyl-2-furylmethylidene) cyclopentan-1-one was achieved. The final products of aldol condensation of furfural and HMF are exclusively corresponding dimers, what enables to obtain after subsequent hydrogenation/hydrodeoxygenation step dialkylcyclopentane type of diesel or jet fuels having C 15 or C 17 molecules. - Highlights: • The aldol condensation of biomass derived cyclopentanone with furfural and HMF. • More than 95 mol % yields of products are achieved. • The products are compounds having exclusively 15 or 17 carbon atoms in molecule. • Reactants can be used as diluted aqueous solutions. • The products are separated as solids insoluble in water

Engineering the donor selectivity of D-fructose-6-phosphate aldolase for biocatalytic asymmetric cross-aldol additions of glycolaldehyde.

Science.gov (United States)

Szekrenyi, Anna; Soler, Anna; Garrabou, Xavier; Guérard-Hélaine, Christine; Parella, Teodor; Joglar, Jesús; Lemaire, Marielle; Bujons, Jordi; Clapés, Pere

2014-09-22

D-Fructose-6-phosphate aldolase (FSA) is a unique catalyst for asymmetric cross-aldol additions of glycolaldehyde. A combination of a structure-guided approach of saturation mutagenesis, site-directed mutagenesis, and computational modeling was applied to construct a set of FSA variants that improved the catalytic efficiency towards glycolaldehyde dimerization up to 1800-fold. A combination of mutations in positions L107, A129, and A165 provided a toolbox of FSA variants that expand the synthetic possibilities towards the preparation of aldose-like carbohydrate compounds. The new FSA variants were applied as highly efficient catalysts for cross-aldol additions of glycolaldehyde to N-carbobenzyloxyaminoaldehydes to furnish between 80-98 % aldol adduct under optimized reaction conditions. Donor competition experiments showed high selectivity for glycolaldehyde relative to dihydroxyacetone or hydroxyacetone. These results demonstrate the exceptional malleability of the active site in FSA, which can be remodeled to accept a wide spectrum of donor and acceptor substrates with high efficiency and selectivity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic structural change of the self-assembled lanthanum complex induced by lithium triflate for direct catalytic asymmetric aldol-Tishchenko reaction.

Science.gov (United States)

Horiuchi, Yoshihiro; Gnanadesikan, Vijay; Ohshima, Takashi; Masu, Hyuma; Katagiri, Kosuke; Sei, Yoshihisa; Yamaguchi, Kentaro; Shibasaki, Masakatsu

2005-09-05

The development of a direct catalytic asymmetric aldol-Tishchenko reaction and the nature of its catalyst are described. An aldol-Tishchenko reaction of various propiophenone derivatives with aromatic aldehydes was promoted by [LaLi3(binol)3] (LLB), and reactivity and enantioselectivity were dramatically enhanced by the addition of lithium trifluoromethanesulfonate (LiOTf). First, we observed a dynamic structural change of LLB by the addition of LiOTf using 13C NMR spectroscopy, electronspray ionization mass spectrometry (ESI-MS), and cold-spray ionization mass spectrometry (CSI-MS). X-ray crystallography revealed that the structure of the newly generated self-assembled complex was a binuclear [La2Li4(binaphthoxide)5] complex 6. A reverse structural change of complex 6 to LLB by the addition of one equivalent of Li2(binol) was also confirmed by ESI-MS and experimental results. The drastic concentration effects on the direct catalytic asymmetric aldol-Tishchenko reaction suggested that the addition of LiOTf to LLB generated an active oligomeric catalyst species.

Solid‐Phase Synthesis of Structurally Diverse Heterocycles by an Amide–Ketone Condensation/N‐Acyliminium Pictet–Spengler Sequence

DEFF Research Database (Denmark)

Komnatnyy, Vitaly V.; Givskov, Michael Christian; Nielsen, Thomas Eiland

2012-01-01

An efficient approach for the solid‐phase synthesis of structurally diverse heterocyclic compounds is presented. Under acidic reaction conditions, peptidic levulinamides undergo intramolecular ketone–amide condensation reactions to form cyclic N‐acyliminium intermediates. In the presence...

ALDOL- AND MANNICH-TYPE REACTIONS VIA IN SITU OLEFIN MIGRATION IN IONIC LIQUID

Science.gov (United States)

An aldol-type and a Mannich-type reaction via the cross-coupling of aldehydes and imines with allylic alcohols catalyzed by RuCl2(PPh3)3 was developed with ionic liquid as the solvent. The solvent/catalyst system could be reused for at least five times with no loss of reactiv...

RUTHENIUM-CATALYZED TANDEM OLEFIN MIGRATION-ALDOL AND MANNICH-TYPE REACTIONS IN IONIC LIQUID.

Science.gov (United States)

In the presence of a catalytic amount of RuCl2(PPh3)3, a cross-coupling of 3-buten-2-ol with aldehydes and imines was developed via a tandem olefin migration--aldol--Mannich reaction in bmim[PF6]. With In(OAc)3 as a co-catalyst, a-vinylbenzyl alcohol and aldehydes underwent sim...

Intramolecular Association within the SAFT Framework

DEFF Research Database (Denmark)

Avlund, Ane Søgaard; Kontogeorgis, Georgios; Chapman, Walter G.

2011-01-01

A general theory for modelling intramolecular association within the SAFT framework is proposed. Sear and Jackson [Phys. Rev. E. 50 (1), 386 (1994)] and Ghonasgi and Chapman [J. Chem. Phys. 102 (6), 2585 (1995)] have previously extended SAFT to include intramolecular association for chains with two...... the contribution to the Helmholtz free energy from association (inter- as well as intramolecularly) at equilibrium. Sear and Jackson rederived the contribution to the Helmholtz free energy from association from the theory by Wertheim [J. Stat. Phys. 42 (3–4), 459 (1986)] with inclusion of intramolecular...

Application of Carbohydrate-Templated Asymmetric Diels-Alder Reaction to the Syntheses of ent-Penicillones A and B.

Science.gov (United States)

Weng, Chia-Hao; Hsu, Day-Shin; Liao, Chun-Chen

2016-11-18

Total syntheses of ent-penicillones A (ent-1) and B (ent-2) from 3,5-dimethylcatechol (3) were accomplished in 10 and 9 synthetic steps, respectively. A carbohydrate-templated asymmetric intramolecular Diels-Alder reaction of a masked o-benzoquinone (MOB) 9 and an aqueous acid-catalyzed intramolecular aldol reaction are the key synthetic steps. In addition, the absolute configurations of the bicyclo[2.2.2]oct-5-en-2-one core obtained from the per-O-benzylated α-d-glucopyranosyl as a carbohydrate template in the intramolecular Diels-Alder reaction of MOBs were revised.

Cooperative organocatalysis of Mukaiyama-type aldol reactions by thioureas and nitro compounds

KAUST Repository

Bukhriakov, Konstantin; Desyatkin, Victor G.; Rodionov, Valentin

2016-01-01

A unique organocatalytic system for Mukaiyama-type aldol reactions based on the cooperative action of nitro compounds and thioureas has been identified. This system is compatible with a wide range of substrates and does not require low temperatures, inert atmospheres, or an aqueous workup. A catalytic mechanism based on nitro group-mediated silyl cation transfer has been proposed. © The Royal Society of Chemistry 2016.

Cooperative organocatalysis of Mukaiyama-type aldol reactions by thioureas and nitro compounds

KAUST Repository

Bukhriakov, Konstantin

2016-05-16

A unique organocatalytic system for Mukaiyama-type aldol reactions based on the cooperative action of nitro compounds and thioureas has been identified. This system is compatible with a wide range of substrates and does not require low temperatures, inert atmospheres, or an aqueous workup. A catalytic mechanism based on nitro group-mediated silyl cation transfer has been proposed. © The Royal Society of Chemistry 2016.

Polymorphism of Lysozyme Condensates.

Science.gov (United States)

Safari, Mohammad S; Byington, Michael C; Conrad, Jacinta C; Vekilov, Peter G

2017-10-05

Protein condensates play essential roles in physiological processes and pathological conditions. Recently discovered mesoscopic protein-rich clusters may act as crucial precursors for the nucleation of ordered protein solids, such as crystals, sickle hemoglobin polymers, and amyloid fibrils. These clusters challenge settled paradigms of protein condensation as the constituent protein molecules present features characteristic of both partially misfolded and native proteins. Here we employ the antimicrobial enzyme lysozyme and examine the similarities between mesoscopic clusters, amyloid structures, and disordered aggregates consisting of chemically modified protein. We show that the mesoscopic clusters are distinct from the other two classes of aggregates. Whereas cluster formation and amyloid oligomerization are both reversible, aggregation triggered by reduction of the intramolecular S-S bonds is permanent. In contrast to the amyloid structures, protein molecules in the clusters retain their enzymatic activity. Furthermore, an essential feature of the mesoscopic clusters is their constant radius of less than 50 nm. The amyloid and disordered aggregates are significantly larger and rapidly grow. These findings demonstrate that the clusters are a product of limited protein structural flexibility. In view of the role of the clusters in the nucleation of ordered protein solids, our results suggest that fine-tuning the degree of protein conformational stability is a powerful tool to control and direct the pathways of protein condensation.

Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium

DEFF Research Database (Denmark)

Musko, Nikolai; Grunwaldt, Jan-Dierk

2011-01-01

Aldol reactions of several aldehydes have been investigated over acidic and basic catalysts in supercritical carbon dioxide at 180 bar and 100 °C. Both acidic (Amberlyst-15, tungstosilicic acid (TSA) on SiO2 and MCM-41) and basic (hydrotalcite) materials showed interesting performance in this pre...

Divergent Total Syntheses of (-)-Huperzine Q, (+)-Lycopladine B, (+)-Lycopladine C, and (-)-4-epi-Lycopladine D.

Science.gov (United States)

Hong, Benke; Hu, Dachao; Wu, Jinbao; Zhang, Jing; Li, Houhua; Pan, Yingming; Lei, Xiaoguang

2017-07-04

We report herein our synthetic efforts towards the divergent syntheses of (-)-huperzine Q (1), (+)-lycopladine B (2), (+)-lycopladine C (3), and (-)-lycopladine D (4). The 10-step total synthesis of (-)-huperzine Q (1) and the first total syntheses of (+)-lycopladines B (2) and C (3) were accomplished through a series of cascade reactions. Our approach involved a Michael addition/aldol/intramolecular C-alkylation sequence to forge the 6/9 spirocycle ring, and this was followed by an ethylene-accelerated carbonyl-olefin metathesis to construct the common 6/5/9 ring system. Finally, late-stage enamine bromofunctionalization enabled us to access (-)-huperzine Q (1), (+)-lycopladine B (2), and (+)-lycopladine C (3), and a tandem C4-epimerization/retro-Claisen condensation furnished (-)-4-epi-lycopladine D (63). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enantioselective radical addition/trapping reactions with alpha,beta-disubstituted unsaturated imides. Synthesis of anti-propionate aldols.

Science.gov (United States)

Sibi, Mukund P; Petrovic, Goran; Zimmerman, Jake

2005-03-02

This manuscript describes a highly diastereo- and enantioselective intermolecular radical addition/hydrogen atom transfer to alpha,beta-disubstituted enoates. Additionally, we show that anti-propionate aldol-like products can be easily prepared from alpha-methyl-beta-acyloxyenoates in good yields and high diastereo- and enantioselectivities.

Annual Letter Report on ONR (Office of Naval Research) Contract Number N00014-85-K-0228.

Science.gov (United States)

1985-12-02

olefination, ".. and thioketalization, are currently under way. Stabilization of these polyketones _ with respect to aldolization is particularly important for...11 NaH High Dilution 67 ..- expected that a knotted polyketone will be especially prone to intramolecular trans-annular reactions. The four-rung THYME

Enantioselective organocatalyzed Oxa-Michael-Aldol cascade reactions: Construction of chiral 4H-chromenes with a trifluoromethylated tetrasubstituted carbon stereocenter

KAUST Repository

Zhang, Jing; Ajitha, Manjaly John; He, Lin; Liu, Kai; Dai, Bin; Huang, Kuo-Wei

2015-01-01

The first organocatalytic asymmetric synthesis of 4H-chromenes bearing a trifluoromethylated tetrasubstituted carbon center is presented. Chiral secondary amines promote the oxa-Michael-aldol cascade reaction between alkynals and 2

Direct asymmetric vinylogous aldol reaction of allyl ketones with isatins: Divergent synthesis of 3-hydroxy-2-oxindole derivatives

KAUST Repository

Zhu, Bo; Zhang, Wen; Lee, Richmond; Han, Zhiqiang; Yang, Wenguo; Tan, Davin; Huang, Kuo-Wei; Jiang, Zhiyong

2013-01-01

6 in 1: The highly enantioselective title reaction is mediated by a bifunctional catalyst and leads to E-configured vinylogous aldol products (see scheme). These products are used as common intermediates in the synthesis of six biologically active 3

Effect of Microwave Irradiation on the Condensation of 6-Substituted 3-Formylchromones with Some Five-membered Heterocyclic Compounds

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Nada Pronayova

2000-02-01

Full Text Available Different types of 3-substituted 4H-4-oxobenzopyrans were prepared by microwave irradiation as well as by a classical method. The beneficial effect of microwave irradiation on the aldol condensation of 3-formylchromones with 2-imino-1-methylimidazolidine-4-one (creatinine, 2-thioxoimidazolidine-4-one (thiohydantoin and 2-ethyl-2-thioxothiazolidin-4-one (3-ethylrhodanine in different reaction media is described. Our results show that the effect of microwave irradiation on the reactions studied was a shortening of the reaction times and a smooth increase in the yields. The subsequent reactions of the product with some nucleophiles are discussed. The structure of the products was proven by elemental analysis, IR and NMR spectra.

Halogeno Aldol Reaction of Ethyl Vinyl Ketone and Aldehydes Mediated by Titanium Tetrachloride

Directory of Open Access Journals (Sweden)

Guigen Li

2000-12-01

Full Text Available A three-component halogeno aldol reaction has been developed by using titanium tetrachloride as the halogen source as well as the Lewis acid mediator. The dehydration and elimination of hydrogen chloride were inhibited by conducting the reaction at 0 °C in dichloromethane or at room temperature with a shortened reaction time. Seven examples were examined, giving good to high yields (61 - 92% and modest stereoselectivity (syn/anti: 2.2/1.0 - 8.4/1.0.

Excited state Intramolecular Proton Transfer in Anthralin

DEFF Research Database (Denmark)

Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

1998-01-01

Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unus......Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results......, associated with an excited-state intramolecular proton transfer process....

N-Heterocyclic Carbene-Catalyzed Vinylogous Mukaiyama Aldol Reaction of α-Keto Esters and α-Trifluoromethyl Ketones

KAUST Repository

Du, Guang-Fen; Wang, Ying; Xing, Fen; Xue, Mei; Guo, Xu-Hong; Huang, Kuo-Wei; Dai, Bin

2015-01-01

© Georg Thieme Verlag Stuttgart · New York · Synthesis 2016. N-Heterocyclic carbene (NHC)-catalyzed vinylogous Mukaiyama aldol reaction of ketones was developed. Under the catalysis of 5 mol% NHC, α-keto esters and α-trifluoromethyl ketones reacted with 2-(trimethysilyloxy)furan efficiently to produce γ-substituted butenolides containing adjacent quaternary and tertiary carbon centers in high yields with good diastereoselectivities.

Forging Fluorine‐Containing Quaternary Stereocenters by a Light‐Driven Organocatalytic Aldol Desymmetrization Process

Science.gov (United States)

Cuadros, Sara; Dell'Amico, Luca

2017-01-01

Abstract Reported herein is a light‐triggered organocatalytic strategy for the desymmetrization of achiral 2‐fluoro‐substituted cyclopentane‐1,3‐diketones. The chemistry is based on an intermolecular aldol reaction of photochemically generated hydroxy‐o‐quinodimethanes and simultaneously forges two adjacent fully substituted carbon stereocenters, with one bearing a stereogenic carbon–fluorine unit. The method uses readily available substrates, a simple chiral organocatalyst, and mild reaction conditions to afford an array of highly functionalized chiral 2‐fluoro‐3‐hydroxycyclopentanones. PMID:28746742

Sn-Beta catalysed conversion of hemicellulosic sugars

DEFF Research Database (Denmark)

Holm, Martin; Pagán-Torres, Yomaira J.; Shunmugavel, Saravanamurugan

2012-01-01

are observed for the pentoses. This finding is in accordance to a reaction pathway that involves the retro aldol condensation of the sugars to form a triose and glycolaldehyde for the pentoses, and two trioses for hexoses. When reacting glycolaldehyde (formally a C2-sugar) in the presence of Sn-Beta, aldol...... condensation occurs, leading to the formation of methyl lactate, methyl vinylglycolate and methyl 2-hydroxy-4-methoxybutanoate. In contrast, when converting the sugars in water at low temperatures (100 °C), Sn-Beta catalyses the isomerisation of sugars (ketose–aldose epimers), rather than the formation...

Computer-Assisted Design and Synthetic Applications of Chiral Enol Borinates: Novel, Highly Enantioselective Aldol Reagents

Directory of Open Access Journals (Sweden)

Gennari Cesare

1998-01-01

Full Text Available We have recently described the development of a quantitative transition state model for the prediction of stereoselectivity in the boron-mediated aldol reaction. This model provides qualitative insights into the factors contributing to the stereochemical outcome of a variety of reactions of synthetic importance. The force field model was used to assist the design and preparation of new chiral boron ligands derived from menthone. The chiral boron enolates were employed in various stereoselective processes, including the addition to chiral aldehydes and the reagent-controlled total synthesis of (3S,4S-statine. The chiral enolates derived from alpha-halo and alpha-oxysubstituted thioacetates were added to aldehydes and imines. Addition to imines leads to the enantioselective synthesis of chiral aziridines, a formal total synthesis of (+-thiamphenicol, and a new highly efficient synthesis of the paclitaxel (taxol® C-13 side-chain and taxol semisynthesis from baccatin III. The stereochemical outcome of the addition to imines was rationalised with the aid of computational studies. Enantioselective addition reactions of the chiral boron enolate derived from thioacetate have successfully been applied to solid phase bound aldehydes to give aldol products in comparable yields and enantioselectivities to the usual solution conditions.

Forging Fluorine-Containing Quaternary Stereocenters by a Light-Driven Organocatalytic Aldol Desymmetrization Process.

Science.gov (United States)

Cuadros, Sara; Dell'Amico, Luca; Melchiorre, Paolo

2017-09-18

Reported herein is a light-triggered organocatalytic strategy for the desymmetrization of achiral 2-fluoro-substituted cyclopentane-1,3-diketones. The chemistry is based on an intermolecular aldol reaction of photochemically generated hydroxy-o-quinodimethanes and simultaneously forges two adjacent fully substituted carbon stereocenters, with one bearing a stereogenic carbon-fluorine unit. The method uses readily available substrates, a simple chiral organocatalyst, and mild reaction conditions to afford an array of highly functionalized chiral 2-fluoro-3-hydroxycyclopentanones. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Environmentally friendly paint and varnish additives based on isobutyrate aldehyde condensation products

Science.gov (United States)

Guziałowska-Tic, Joanna; Jan Tic, Wilhelm

2017-10-01

The demand for exploitation of new plasticizers and coalescents to be used for production of water dispersion adhesives based on poli(vinyl acetate), turned to be recently of particular significance because the use of all kind of toxic phthalates was banned and certain restrictions were made to use glycol derivatives classified as volatile organic compounds. An alternative for toxic plasticizers used for production of adhesives is hydroxyester (HE-1) obtained from isobutanal during the process of aldol condensation under subsequent Cannizaro and Tischenko reactions. The paper presents selected results of ecotoxicological tests on the environmental impact of hydroxyester HE-1. It was found that the substance is biodegradable and has no negative impact on algae growth rate, however it may inhibit algae biomass growth. The results of Daphnia immobilization test shows that the substance is safe for the aquatic environment. Whereas, at higher concentrations, hydroxyester HE-1 may exhibit acute toxicity to rainbow trout.

Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization.

Science.gov (United States)

Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming

2017-04-10

Diversity-oriented synthesis of coumarin-linked benzimidazoles from N-(2-aminophenyl)-2-cyanoacetamide was achieved via a one-pot, three-step sequential reaction in excellent yields. In situ intramolecular cyclization of the cyanoacetamide afforded benzimidazoles which subsequently underwent a Knoevenagel condensation of the 2-cyanomethylbenzimidazoles with salicylaldehydes promoted by triethylamine to reach the target compounds. An important intermediate, 2-(2-imino-2H-chromen-3-yl)-1H-benzimidazole was characterized by X-ray analysis and further hydrolyzed to 2-(coumarin-3-yl)benzimidazole in acidic condition. Among the synthesized compounds, some were found to be promising inhibitors of porcine kidney d-amino acid oxidase (pkDAO).

Application of a new tandem isomerization-aldolization reaction of allylic alcohols to the synthesis of three diastereoisomers of (2R)-1,2-O-isopropylidene-4-methylpentane-1,2,3,5-tetraol.

Science.gov (United States)

Cuperly, David; Crévisy, Christophe; Grée, René

2003-08-08

The tandem isomerization-aldolization reaction of (2R)-1,2-O-isopropylidene-4-penten-1,2,3-triol 3 and formaldehyde gives a mixture of two aldol products 2a and 2b. The stereoselective reduction of each compound by l-Selectride affords two diastereoisomers of (2R)-1,2-O-Isopropylidene-4-methylpentane-1,2,3,5-tetraol while a third diastereoisomer is obtained by stereoselective reduction with Me(4)NHB(OAc)(3).

Intramolecular hydrogen bonding in malonaldehyde and its radical analogues.

Science.gov (United States)

Lin, Chen; Kumar, Manoj; Finney, Brian A; Francisco, Joseph S

2017-09-28

High level Brueckner doubles with triples correction method-based ab initio calculations have been used to investigate the nature of intramolecular hydrogen bonding and intramolecular hydrogen atom transfer in cis-malonaldehyde (MA) and its radical analogues. The radicals considered here are the ones that correspond to the homolytic cleavage of C-H bonds in cis-MA. The results suggest that cis-MA and its radical analogues, cis-MA RS , and cis-MA RA , both exist in planar geometry. The calculated intramolecular O-H⋯O=C bond in cis-MA is shorter than that in the radical analogues. The intramolecular hydrogen bond in cis-MA is stronger than in its radicals by at least 3.0 kcal/mol. The stability of a cis-malonaldehyde radical correlates with the extent of electron spin delocalization; cis-MA RA , in which the radical spin is more delocalized, is the most stable MA radical, whereas cis-MA RS , in which the radical spin is strongly localized, is the least stable radical. The natural bond orbital analysis indicates that the intramolecular hydrogen bonding (O⋯H⋯O) in cis-malonaldehyde radicals is stabilized by the interaction between the lone pair orbitals of donor oxygen and the σ * orbital of acceptor O-H bond (n → σ * OH ). The calculated barriers indicate that the intramolecular proton transfer in cis-MA involves 2.2 kcal/mol lower barrier than that in cis-MA RS .

Synthesis of acid-base bifunctional mesoporous materials by oxidation and thermolysis

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaofang [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023 (China); Zou, Yongcun [State Key Laboratory of Inoranic Synthesis and Preparative Chemistryg, College of Chemistry, Jilin University, Changchun 130012 (China); Wu, Shujie; Liu, Heng [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023 (China); Guan, Jingqi, E-mail: guanjq@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023 (China); Kan, Qiubin, E-mail: qkan@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023 (China)

2011-06-15

Graphical abstract: A novel and efficient method has been developed for the synthesis of acid-base bifunctional catalyst. The obtained sample of SO{sub 3}H-MCM-41-NH{sub 2} containing amine and sulfonic acids exhibits excellent catalytic activity in aldol condensation reaction. Research highlights: {yields} Synthesize acid-base bifunctional mesoporous materials SO{sub 3}H-MCM-41-NH{sub 2}. {yields} Oxidation and then thermolysis to generate acidic site and basic site. {yields} Exhibit good catalytic performance in aldol condensation reaction between acetone and various aldehydes. -- Abstract: A novel and efficient method has been developed for the synthesis of acid-base bifunctional catalyst SO{sub 3}H-MCM-41-NH{sub 2}. This method was achieved by co-condensation of tetraethylorthosilicate (TEOS), 3-mercaptopropyltrimethoxysilane (MPTMS) and (3-triethoxysilylpropyl) carbamicacid-1-methylcyclohexylester (3TAME) in the presence of cetyltrimethylammonium bromide (CTAB), followed by oxidation and then thermolysis to generate acidic site and basic site. X-ray diffraction (XRD) and transmission electron micrographs (TEM) show that the resultant materials keep mesoporous structure. Thermogravimetric analysis (TGA), X-ray photoelectron spectra (XPS), back titration, solid-state {sup 13}C CP/MAS NMR and solid-state {sup 29}Si MAS NMR confirm that the organosiloxanes were condensed as a part of the silica framework. The bifunctional sample (SO{sub 3}H-MCM-41-NH{sub 2}) containing amine and sulfonic acids exhibits excellent acid-basic properties, which make it possess high activity in aldol condensation reaction between acetone and various aldehydes.

new spiro (thio) barbiturates based on cyclohexanone and bicyclo

African Journals Online (AJOL)

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condensation can be operated with the aid of strong acids or bases [2, 13]. Several catalytic methods have been achieved for crossed-aldol condensation [4, 14-31]. Several spiro-(thio)barbituric acid derivatives in which the active methylene carbon of. (thio)barbituric acid is substituted by an unsubstituted cyclobutane or ...

Tandem Aldol-Michael Reactions in Aqueous Diethylamine Medium: A Greener and Efficient Approach to Bis-Pyrimidine Derivatives

Directory of Open Access Journals (Sweden)

Abdullah M. Al-Majid

2013-12-01

Full Text Available A simple protocol, involving the green synthesis for the construction of novel bis-pyrimidine derivatives, 3a–i and 4a–e are accomplished by the aqueous diethylamine media promoted tandem Aldol-Michael reaction between two molecules of barbituric acid derivatives 1a,b with various aldehydes. This efficient synthetic protocol using an economic and environmentally friendly reaction media with versatility and shorter reaction time provides bis-pyrimidine derivatives with high yields (88%–99%.

New stereoselective intramolecular

Science.gov (United States)

Alajarin; Vidal; Tovar; Ramirez De Arellano MC; Cossio; Arrieta; Lecea

2000-11-03

Efficient 1,4-asymmetric induction has been achieved in the highly stereocontrolled intramolecular [2 + 2] cycloadditions between ketenimines and imines, leading to 1,2-dihydroazeto[2, 1-b]quinazolines. The chiral methine carbon adjacent to the iminic nitrogen controls the exclusive formation of the cycloadducts with relative trans configuration at C2 and C8. The stepwise mechanistic model, based on theoretical calculations, fully supports the stereochemical outcome of these cycloadditions.

Enantioselective organocatalyzed Oxa-Michael-Aldol cascade reactions: Construction of chiral 4H-chromenes with a trifluoromethylated tetrasubstituted carbon stereocenter

KAUST Repository

Zhang, Jing

2015-03-13

The first organocatalytic asymmetric synthesis of 4H-chromenes bearing a trifluoromethylated tetrasubstituted carbon center is presented. Chiral secondary amines promote the oxa-Michael-aldol cascade reaction between alkynals and 2-trifluoroacetylphenols via iminium-allenamine activation to produce pharmaceutically important heterocycles with excellent enantioselectivities. The proposed reaction can be scaled-up easily with maintenance of the excellent enantioselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides.

Science.gov (United States)

Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin

2017-07-21

A practical and flexible strategy toward α-hydroxy-β-amino esters and amides, which are important biological motifs, based on an organocatalytic cross-aldol reaction of in situ-generated nitrosocarbonyl intermediates followed by hydrogenation is presented. The protocol features operational simplicity, high yields, a wide substrate scope, and high regio- and diastereoselectivity profiles. The utility of this method was showcased through the synthesis of bestatin analogues and indole formation.

A CATALYTIC METHOD FOR THE SYNTHESIS OF 4-ALKYL(ARYL ...

African Journals Online (AJOL)

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)-pyridinones and their 2-imino ... synthesis of milrinone analogues as a series of nonglycosidic, non-sympathomimetic, cardiotonic .... from dimethoxyacetophenone and ammonia adds to the aldol condensation product of the aldehyde and ...

Synthesis, characterization and catalytic activity of acid-base bifunctional materials through protection of amino groups

Energy Technology Data Exchange (ETDEWEB)

Shao, Yanqiu [College of Chemistry, Jilin University, Changchun 130023 (China); College of Chemistry, Mudanjiang Normal University, Mudanjiang 157012 (China); Liu, Heng; Yu, Xiaofang [College of Chemistry, Jilin University, Changchun 130023 (China); Guan, Jingqi, E-mail: guanjq@jlu.edu.cn [College of Chemistry, Jilin University, Changchun 130023 (China); Kan, Qiubin, E-mail: qkan@mail.jlu.edu.cn [College of Chemistry, Jilin University, Changchun 130023 (China)

2012-03-15

Graphical abstract: Acid-base bifunctional mesoporous material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized under low acidic medium through protection of amino groups. Highlights: Black-Right-Pointing-Pointer The acid-base bifunctional material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized through protection of amino groups. Black-Right-Pointing-Pointer The obtained bifunctional material was tested for aldol condensation. Black-Right-Pointing-Pointer The SO{sub 3}H-SBA-15-NH{sub 2} catalyst containing amine and sulfonic acid groups exhibited excellent acid-basic properties. -- Abstract: Acid-base bifunctional mesoporous material SO{sub 3}H-SBA-15-NH{sub 2} was successfully synthesized under low acidic medium through protection of amino groups. X-ray diffraction (XRD), N{sub 2} adsorption-desorption, transmission electron micrographs (TEM), back titration, {sup 13}C magic-angle spinning (MAS) NMR and {sup 29}Si magic-angle spinning (MAS) NMR were employed to characterize the synthesized materials. The obtained bifunctional material was tested for aldol condensation reaction between acetone and 4-nitrobenzaldehyde. Compared with monofunctional catalysts of SO{sub 3}H-SBA-15 and SBA-15-NH{sub 2}, the bifunctional sample of SO{sub 3}H-SBA-15-NH{sub 2} containing amine and sulfonic acid groups exhibited excellent acid-basic properties, which make it possess high activity for the aldol condensation.

Complex chemical composition of colored surface films formed from reactions of propanal in sulfuric acid at upper troposphere/lower stratosphere aerosol acidities.

Science.gov (United States)

Van Wyngarden, A L; Pérez-Montaño, S; Bui, J V H; Li, E S W; Nelson, T E; Ha, K T; Leong, L; Iraci, L T

Particles in the upper troposphere and lower stratosphere (UT/LS) consist mostly of concentrated sulfuric acid (40-80 wt %) in water. However, airborne measurements have shown that these particles also contain a significant fraction of organic compounds of unknown chemical composition. Acid-catalyzed reactions of carbonyl species are believed to be responsible for significant transfer of gas phase organic species into tropospheric aerosols and are potentially more important at the high acidities characteristic of UT/LS particles. In this study, experiments combining sulfuric acid (H 2 SO 4 ) with propanal and with mixtures of propanal with glyoxal and/or methylglyoxal at acidities typical of UT/LS aerosols produced highly colored surface films (and solutions) that may have implications for aerosol properties. In order to identify the chemical processes responsible for the formation of the surface films, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and 1 H nuclear magnetic resonance (NMR) spectroscopies were used to analyze the chemical composition of the films. Films formed from propanal were a complex mixture of aldol condensation products, acetals and propanal itself. The major aldol condensation products were the dimer (2-methyl-2-pentenal) and 1,3,5-trimethylbenzene that was formed by cyclization of the linear aldol condensation trimer. Additionally, the strong visible absorption of the films indicates that higher-order aldol condensation products must also be present as minor species. The major acetal species were 2,4,6-triethyl-1,3,5-trioxane and longer-chain linear polyacetals which are likely to separate from the aqueous phase. Films formed on mixtures of propanal with glyoxal and/or methylglyoxal also showed evidence of products of cross-reactions. Since cross-reactions would be more likely than self-reactions under atmospheric conditions, similar reactions of aldehydes like propanal with common aerosol organic species like glyoxal

Intramolecular addition of benzylic radicals onto ketenimines. Synthesis of 2-alkylindoles.

Science.gov (United States)

Alajarín, Mateo; Vidal, Angel; Ortín, María-Mar

2003-12-07

The inter- and intramolecular addition of free radicals onto ketenimines is studied. All the attempts to add intermolecularly several silicon, oxygen or carbon centered radicals to N-(4-methylphenyl)-C,C-diphenyl ketenimine were unsuccessful. In contrast, the intramolecular addition of benzylic radicals, generated from xanthates, onto the central carbon of a ketenimine function with its N atom linked to the ortho position of the aromatic ring occurred under a variety of reaction conditions. These intramolecular cyclizations provide a novel radical-mediated synthesis of 2-alkylindoles.

Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

Science.gov (United States)

Tarumi, Moto; Nakai, Hiromi

2018-05-01

This letter proposes an approximate treatment of the harmonic solvation model (HSM) assuming the solute to be a rigid body (RB-HSM). The HSM method can appropriately estimate the Gibbs free energy for condensed phases even where an ideal gas model used by standard quantum chemical programs fails. The RB-HSM method eliminates calculations for intra-molecular vibrations in order to reduce the computational costs. Numerical assessments indicated that the RB-HSM method can evaluate entropies and internal energies with the same accuracy as the HSM method but with lower calculation costs.

Direct asymmetric vinylogous aldol reaction of allyl ketones with isatins: Divergent synthesis of 3-hydroxy-2-oxindole derivatives

KAUST Repository

Zhu, Bo

2013-05-03

6 in 1: The highly enantioselective title reaction is mediated by a bifunctional catalyst and leads to E-configured vinylogous aldol products (see scheme). These products are used as common intermediates in the synthesis of six biologically active 3-hydroxy-2-oxindole derivatives (e.g., CPC-1). Computational studies indicated that the observed stereoselectivity is a result of favorable secondary π-π* and H-bonding interactions in the transition state. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intramolecular and nonlinear dynamics

Energy Technology Data Exchange (ETDEWEB)

Davis, M.J. [Argonne National Laboratory, IL (United States)

1993-12-01

Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

Intramolecular and Transannular Diels-Alder Reactions

DEFF Research Database (Denmark)

Tanner, David Ackland; Ascic, Erhad

2014-01-01

Few reactions can compete with the Diels-Alder (DA) [4+2] cycloaddition for the rapid and efficient generation of molecular complexity. The DA reaction is atom-economic and stereospecific, as well as diastereo- and regioselective. The intramolecular version (IMDA) of the DA cycloaddition and its...... and dienophile, methods for acceleration of IMDA reactions (such as use of high pressure) and catalysis (using oxophilic or carbophilic metal complexes, Brønsted acids, and enzymes). The use of furans as diene components (IMDAF), intramolecular hetero-DA (IMHDA) and IMDA reactions with inverse electron demand...... are also covered. Applications of IMDA to asymmetric synthesis (from substrate control through to enantioselective catalysis, including organocatalysis) are presented, along with tandem sequences involving IMDA cycloaddition. A theme pervading the whole chapter is the use of IMDA reactions for the total...

Tandem ring-closing metathesis/isomerization reactions for the total synthesis of violacein

DEFF Research Database (Denmark)

Petersen, Mette Terp; Nielsen, Thomas Eiland

2013-01-01

A series of 5-substituted 2-pyrrolidinones was synthesized through a one-pot ruthenium alkylidene-catalyzed tandem RCM/isomerization/nucleophilic addition sequence. The intermediates resulting from RCM/isomerization showed reactivity toward electrophiles in aldol condensation reactions which...

Highly efficient induction of chirality in intramolecular

Science.gov (United States)

Cossio; Arrieta; Lecea; Alajarin; Vidal; Tovar

2000-06-16

Highly stereocontrolled, intramolecular [2 + 2] cycloadditions between ketenimines and imines leading to 1,2-dihydroazeto[2, 1-b]quinazolines have been achieved. The source of stereocontrol is a chiral carbon atom adjacent either to the iminic carbon or nitrogen atom. In the first case, the stereocontrol stems from the preference for the axial conformer in the first transition structure. In the second case, the origin of the stereocontrol lies on the two-electron stabilizing interaction between the C-C bond being formed and the sigma orbital corresponding to the polar C-X bond, X being an electronegative atom. These models can be extended to other related systems for predicting the stereochemical outcome in this intramolecular reaction.

Photoswitchable Intramolecular H-Stacking of Perylenebisimide

NARCIS (Netherlands)

Wang, Jiaobing; Kulago, Artem; Browne, Wesley R.; Feringa, Ben L.

2010-01-01

Dynamic control over the formation of H- or J-type aggregates of chromophores is of fundamental importance for developing responsive organic optoelectronic materials. In this study, the first example of photoswitching between a nonstacked and an intramolecularly H-stacked arrangement of

Cyclopalladated complexes in enantioselective catalysis

Energy Technology Data Exchange (ETDEWEB)

Dunina, Valeria V; Gorunova, Olga N; Zykov, P A; Kochetkov, Konstantin A

2011-01-31

The results of the use of optically active palladacycles in enantioselective catalysis of [3,3]-sigmatropic rearrangements, aldol condensation, the Michael reaction and cross-coupling are analyzed. Reactions with allylic substrates or reagents and some other transformations are considered.

A Comparative Study of Basic, Amphoteric, and Acidic Catalysts in the Oxidative Coupling of Methanol and Ethanol for Acrolein Production.

Science.gov (United States)

Lilić, Aleksandra; Wei, Tiantian; Bennici, Simona; Devaux, Jean-François; Dubois, Jean-Luc; Auroux, Aline

2017-09-11

The impact of acid/base properties (determined by adsorption microcalorimetry) of various catalysts on the cross-aldolization of acetaldehyde and formaldehyde leading to acrolein was methodically studied in oxidizing conditions starting from a mixture of methanol and ethanol. The aldol condensation and further dehydration to acrolein were carried out on catalysts presenting various acid/base properties (MgO, Mg-Al oxides, Mg/SiO 2 , NbP, and heteropolyanions on silica, HPA/SiO 2 ). Thermodynamic calculations revealed that cross-aldolization is always favored compared with self-aldolization of acetaldehyde, which leads to crotonaldehyde formation. The presence of strong basic sites is shown to be necessary, but a too high amount drastically increases CO x production. On strong acid sites, production of acrolein and carbon oxides (CO x ) does not increase with temperature. The optimal catalyst for this process should be amphoteric with a balanced acid/base cooperation of medium strength sites and a small amount (150 kJ mol -1 ). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Conductance and activation energy for electron transport in series and parallel intramolecular circuits.

Science.gov (United States)

Hsu, Liang-Yan; Wu, Ning; Rabitz, Herschel

2016-11-30

We investigate electron transport through series and parallel intramolecular circuits in the framework of the multi-level Redfield theory. Based on the assumption of weak monomer-bath couplings, the simulations depict the length and temperature dependence in six types of intramolecular circuits. In the tunneling regime, we find that the intramolecular circuit rule is only valid in the weak monomer coupling limit. In the thermally activated hopping regime, for circuits based on two different molecular units M a and M b with distinct activation energies E act,a > E act,b , the activation energies of M a and M b in series are nearly the same as E act,a while those in parallel are nearly the same as E act,b . This study gives a comprehensive description of electron transport through intramolecular circuits from tunneling to thermally activated hopping. We hope that this work can motivate additional studies to design intramolecular circuits based on different types of building blocks, and to explore the corresponding circuit laws and the length and temperature dependence of conductance.

Condensation model for the ESBWR passive condensers

International Nuclear Information System (INIS)

Revankar, S. T.; Zhou, W.; Wolf, B.; Oh, S.

2012-01-01

In the General Electric's Economic simplified boiling water reactor (GE-ESBWR) the passive containment cooling system (PCCS) plays a major role in containment pressure control in case of an loss of coolant accident. The PCCS condenser must be able to remove sufficient energy from the reactor containment to prevent containment from exceeding its design pressure following a design basis accident. There are three PCCS condensation modes depending on the containment pressurization due to coolant discharge; complete condensation, cyclic venting and flow through mode. The present work reviews the models and presents model predictive capability along with comparison with existing data from separate effects test. The condensation models in thermal hydraulics code RELAP5 are also assessed to examine its application to various flow modes of condensation. The default model in the code predicts complete condensation well, and basically is Nusselt solution. The UCB model predicts through flow well. None of condensation model in RELAP5 predict complete condensation, cyclic venting, and through flow condensation consistently. New condensation correlations are given that accurately predict all three modes of PCCS condensation. (authors)

Condensers

International Nuclear Information System (INIS)

Andrieux, M.B.

1984-01-01

Characteristics of the condenser cooling waters of various French 900 MW nuclear power plants. Design and description of various types of condensers: condensers feeded directly with river water, condensers feeded by cooling towers, condensers feeded with sea water of brackish water. Presentation of the main problems encountered with the brass bundles (ammoniacal corrosion, erosion of the peripheral tubes, vibrations of the tubes), with the titanium bundles, with the tubular plates, the tubes-tubular plates assemblies, the coatings of the condenser water chamber (sea water), the vapor by-pass and with the air inlet. Analysis of the in service performances such as condensation pressure, oxygen content and availability [fr

New spiro (thio barbiturates based on cyclohexanone and bicyclo [3.1.1]heptan-6-one by nonconcerted [1+5] cycloaddition reaction and their conformational structures

Directory of Open Access Journals (Sweden)

N. N. Pesyan

2014-09-01

Full Text Available Crossed-aldol condensation reaction of aromatic aldehydes with ketones such as; acetone and cyclohexanone leads to the efficient formation of cross conjugated α,β-unsaturated ketones in excellent yield. The intermolecular and then intramolecular Michael addition reaction of α,β-unsaturated ketones derived from acetone and cyclohexanone with (thiobarbituric acids lead to synthesis new type of 7,11-diaryl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetraone and 2,4-diaryl-1'H-spiro[bicyclo[3.3.1]nonane-3,5'-pyrimidine]-2',4',6',9(3'H-tetraone, respectively in good yield. Structure elucidation is carried out by 1H NMR, 13C NMR, FT-IR, UV-Visible, mass spectroscopy and X-ray crystallography techniques. A possible mechanism of the formation is discussed. The structural conformation also demonstrated by coupling constants derived from dihedral angles between vicinal and geminal protons. The 1H NMR spectra of NH protons of spiro compounds derived from barbituric acid show a broad singlet peak instead, these protons in the spiro compounds derived from thiobarbituric acid show two distinct peaks. DOI: http://dx.doi.org/10.4314/bcse.v28i3.12

rac-N-[Hydroxy(4-pyridylmethyl]picolinamide: a hemiamidal

Directory of Open Access Journals (Sweden)

Muhammad Altaf

2010-07-01

Full Text Available The title compound, C12H11N3O2, a hemiamidal, was synthesized by solvent-free aldol condensation at room temperature by grinding picolinamide with isonicotinaldehyde in a 1:1 molar ratio. In the molecule, the two pyridine rings are inclined to one another by 58.75 (6°. They are linked, at positions 2 and 4, by the hemiamidal bridge (–CO—NH—CHOH–. The NH-group H atom forms an intramolecular hydrogen bond with the N atom of the picolinamide pyridine ring. In the crystal, symmetry-related molecules are linked via N—H...O hydrogen bonds, involving the NH group H atom of the hemiamidal bridge and the hydroxy O atom, forming inversion-related dimers, with graph-set R22(8. Adjacent molecules are also linked via O—H...N hydrogen bonds, involving the hydroxy substituent and the 4-pyridine N atom. Together these interactions lead to the formation of double-stranded ribbon-like hydrogen-bonded polymers propagating in [010]. The latter are further connected via C—H...O hydrogen bonds involving the carbonyl O atom, so forming a two-dimensional network in (011.

Ultrasound-assisted synthesis of curcumin analogs promoted by activated chicken eggshells

Science.gov (United States)

Mardiana, L.; Ardiansah, B.; Septiarti, A.; Bakri, R.; Kosamagi, G.

2017-07-01

Curcumin has been widely known as a multifunctional natural product which has many biological activities. However, the biggest limitation for the large scale application of curcumin is its poor bioavailability. This research presented a cheap, mild and efficient solvent-free synthesis of monocarbonyl analogs of curcumin via Aldol condensation using activated chicken eggshells (ACE). Dibenzalpropanone as a product of Aldol condensation was prepared by mixing benzaldehyde and acetone using a simple glass tube in the presence of ACE under ultrasound irradiation (78 % yield), while dibenzalcyclohexanone was produced from the reaction of benzaldehyde with cyclohenxanone (81 %). The products have been characterized by FTIR, UV-Vis spectrophotometer and GC-MS instruments. The FTIR spectra show a significant absorption of carbonyl group that attached to the double bond in α,β-position at 1630-1660 cm-1. The molecular cation of m/z of 234 and 274 is in agreement with the products structures.

Solvent control of intramolecular proton transfer

DEFF Research Database (Denmark)

Manolova, Y.; Marciniak, Heinz; Tschierlei, S.

2017-01-01

of molecules in the enol and zwitterionic proton transfer (PT) form exists in the ground state. However, the zwitterion is the energetically favored one in the electronically excited state. Optical excitation of the enol form results in intramolecular proton transfer and formation of the PT form within 1.4 ps...

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

Directory of Open Access Journals (Sweden)

Peter I. Nagy

2014-10-01

Full Text Available A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation 2011 or by finding a special bond critical point on the density map of the structure in the framework of the atoms-in-molecules theory. Nonetheless, a given structural conformation may be simply favored by electrostatic interactions. The present review surveys the in-solution competition of the conformations with intramolecular vs. intermolecular hydrogen bonds for different types of small organic molecules. In their most stable gas-phase structure, an intramolecular hydrogen bond is possible. In a protic solution, the intramolecular hydrogen bond may disrupt in favor of two solute-solvent intermolecular hydrogen bonds. The balance of the increased internal energy and the stabilizing effect of the solute-solvent interactions regulates the new conformer composition in the liquid phase. The review additionally considers the solvent effects on the stability of simple dimeric systems as revealed from molecular dynamics simulations or on the basis of the calculated potential of mean force curves. Finally, studies of the solvent effects on the type of the intermolecular hydrogen bond (neutral or ionic in acid-base complexes have been surveyed.

Crystal Structure of a Trapped Catalytic Intermediate Suggests that Forced Atomic Proximity Drives the Catalysis of mIPS

OpenAIRE

Neelon, Kelly; Roberts, Mary F.; Stec, Boguslaw

2011-01-01

1-L-myo-inositol-phosphate synthase (mIPS) catalyzes the first step of the unique, de novo pathway of inositol biosynthesis. However, details about the complex mIPS catalytic mechanism, which requires oxidation, enolization, intramolecular aldol cyclization, and reduction, are not fully known. To gain further insight into this mechanism, we determined the crystal structure of the wild-type mIPS from Archaeoglobus fulgidus at 1.7 Å, as well as the crystal structures of three active-site mutant...

Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases. Part 2: aldol, Mannich addition reactions, deracemization and (S) to (R) interconversion of α-amino acids.

Science.gov (United States)

Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim

2013-11-01

This review provides a comprehensive treatment of literature data dealing with asymmetric synthesis of α-amino-β-hydroxy and α,β-diamino acids via homologation of chiral Ni(II) complexes of glycine Schiff bases using aldol and Mannich-type reactions. These reactions proceed with synthetically useful chemical yields and thermodynamically controlled stereoselectivity and allow direct introduction of two stereogenic centers in a single operation with predictable stereochemical outcome. Furthermore, new application of Ni(II) complexes of α-amino acids Schiff bases for deracemization of racemic α-amino acids and (S) to (R) interconversion providing additional synthetic opportunities for preparation of enantiomerically pure α-amino acids, is also reviewed. Origin of observed diastereo-/enantioselectivity in the aldol, Mannich-type and deracemization reactions, generality and limitations of these methodologies are critically discussed.

Chiral 1,3,2-oxazaborolidines in asymmetric synthesis: recent advances

International Nuclear Information System (INIS)

Glushkov, Vladimir A; Tolstikov, Alexander G

2004-01-01

The use of chiral 1,3,2-oxazaborolidines in asymmetric organic synthesis, particularly, in enantioselective reduction of ketones, imines and oxime ethers, asymmetric Diels-Alder reactions, aldol condensation and atroposelective reduction of lactones is reviewed. Reactions of immobilised 1,3,2-oxazaborolidines are also considered.

Intramolecularly Hydrogen-Bonded Polypyrroles as Electro-Optical Sensors

National Research Council Canada - National Science Library

Nicholson, Jesse

2001-01-01

We have developed a new class of polypyrroles bearing both hydrogen-bond acceptor and hydrogen-donor groups such that the intramolecular hydrogen bonding holds the system planar enhancing conjugation...

INTRAMOLECULAR ISOTOPE EFFECTS IN HYDROCARBON MASS SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Stevenson, D. P.; Schachtschneider, J. H.

1963-07-15

Approximate calculations based on the quasi-equilibrium rate theory of the origin of mass spectra are shown to lead to an approximately correct magnitude for the intramolecular ( pi /sup -/) isotope effect on C--H bond dissociation probabilities of various deuterohydrocarbons. (auth)

Effects of acid concentration on intramolecular charge transfer ...

Indian Academy of Sciences (India)

rate. Time-dependent density functional theory calculations have been performed to understand the observed spectroscopic results. Keywords. Intramolecular charge transfer; absorption and fluorescence; time resolved fluorescence measurements; acid concentration dependence; time-dependent density functional theory.

A Multistep Synthesis Featuring Classic Carbonyl Chemistry for the Advanced Organic Chemistry Laboratory

Science.gov (United States)

Duff, David B.; Abbe, Tyler G.; Goess, Brian C.

2012-01-01

A multistep synthesis of 5-isopropyl-1,3-cyclohexanedione is carried out from three commodity chemicals. The sequence involves an aldol condensation, Dieckmann-type annulation, ester hydrolysis, and decarboxylation. No purification is required until after the final step, at which point gravity column chromatography provides the desired product in…

Synthesis and in vitro anticancer activity of 23(23′)E-benzylidenespirostanols derived from steroid sapogenins

Czech Academy of Sciences Publication Activity Database

Ramos-Enríquez, M. A.; Vargas-Romero, K.; Rárová, L.; Strnad, Miroslav; Iglesias-Arteaga, M. A.

2017-01-01

Roč. 128, DEC (2017), s. 85-88 ISSN 0039-128X R&D Projects: GA ČR GA17-14007S Institutional support: RVO:61389030 Keywords : Aldol condensation * Benzylidenespirostanols * Cancer cell lines * Cytotoxicity * Fibroblasts Subject RIV: FD - Oncology ; Hematology OBOR OECD: Oncology Impact factor: 2.282, year: 2016

Intramolecular Hydrogen Bonding and Conformational Preferences of Arzanol—An Antioxidant Acylphloroglucinol

Directory of Open Access Journals (Sweden)

Liliana Mammino

2017-08-01

Full Text Available Arzanol is a naturally-occurring prenylated acylphloroglucinol isolated from Helichrysum italicum and exhibiting anti-oxidant, antibiotic and antiviral activities. The molecule contains an α-pyrone moiety attached to the phloroglucinol moiety through a methylene bridge. The presence of several hydrogen bond donor or acceptor sites makes intramolecular hydrogen bonding patterns the dominant stabilising factor. Conformers with all the possible different hydrogen bonding patterns were calculated at the HF/6-31G(d,p and DFT/B3LYP/6-31+G(d,p levels with fully relaxed geometry in vacuo and in three solvents—chloroform, acetonitrile and water (these levels being chosen to enable comparisons with previous studies on acylphloroglucinols. Calculations in solution were performed with the Polarisable Continuum Model. The results show that the lowest energy conformers have the highest number of stronger intramolecular hydrogen bonds. The influence of intramolecular hydrogen bonding patterns on the other molecular properties is also analysed.

Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones

KAUST Repository

Shylesh, Sankaranarayanapillai

2016-09-22

The effects of chemical composition and pretreatment on Mg–Al hydrotalcites and alumina-supported MgO were evaluated for the gas-phase, self-condensation reaction of C3–C5 biomass-derived methyl ketones. We show that the selectivity toward the acyclic dimer enone and the cyclic enone trimer can be tuned by controlling the temperature of hydrotalcite calcination. Methyl ketone cyclization is promoted by Lewis acidic sites present on the hydrotalcite catalysts. XRD and thermal decomposition analysis reveal that the formation of periclase MgO starts above 623 K accompanied by complete disappearance of the hydrotalcite structure and is accompanied by an increase in hydroxyl condensation as the formation of well-crystallized periclase. 27Al MQMAS and 25Mg MAS NMR show that at progressively higher temperatures, Al3+ cations diffuses out of the octahedral brucite layers and incorporate into the tetrahedral and octahedral sites of the MgO matrix thereby creating defects to compensate the excess positive charge generated. The oxygen anions adjacent to the Mg2+/Al3+ defects become coordinatively unsaturated, leading to the formation of new basic sites. A kinetic isotope effect, kH/kD = 0.96, is observed at 473 K for the reaction of (CH3)2CO versus (CD3)2CO, which suggests that carbon–carbon bond formation leading to the dimer aldol product is the rate-determining step in the condensation reaction of methyl ketones. We also show that acid–base catalysts having similar reactivity and higher hydrothermal stability to that of calcined hydrotalcites can be achieved by creating defects in MgO crystallites supported alumina as a consequence of the diffusion of Al3+ cations into MgO. The physical properties of these materials are shown to be very similar to those of hydrotalcite calcined at 823 K.

Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones

KAUST Repository

Shylesh, Sankaranarayanapillai; Kim, Daeyoup; Gokhale, Amit A.; Canlas, Christian; Struppe, Jochem O.; Ho, Christopher R.; Jadhav, Deepak; Yeh, Alice; Bell, Alexis T.

2016-01-01

The effects of chemical composition and pretreatment on Mg–Al hydrotalcites and alumina-supported MgO were evaluated for the gas-phase, self-condensation reaction of C3–C5 biomass-derived methyl ketones. We show that the selectivity toward the acyclic dimer enone and the cyclic enone trimer can be tuned by controlling the temperature of hydrotalcite calcination. Methyl ketone cyclization is promoted by Lewis acidic sites present on the hydrotalcite catalysts. XRD and thermal decomposition analysis reveal that the formation of periclase MgO starts above 623 K accompanied by complete disappearance of the hydrotalcite structure and is accompanied by an increase in hydroxyl condensation as the formation of well-crystallized periclase. 27Al MQMAS and 25Mg MAS NMR show that at progressively higher temperatures, Al3+ cations diffuses out of the octahedral brucite layers and incorporate into the tetrahedral and octahedral sites of the MgO matrix thereby creating defects to compensate the excess positive charge generated. The oxygen anions adjacent to the Mg2+/Al3+ defects become coordinatively unsaturated, leading to the formation of new basic sites. A kinetic isotope effect, kH/kD = 0.96, is observed at 473 K for the reaction of (CH3)2CO versus (CD3)2CO, which suggests that carbon–carbon bond formation leading to the dimer aldol product is the rate-determining step in the condensation reaction of methyl ketones. We also show that acid–base catalysts having similar reactivity and higher hydrothermal stability to that of calcined hydrotalcites can be achieved by creating defects in MgO crystallites supported alumina as a consequence of the diffusion of Al3+ cations into MgO. The physical properties of these materials are shown to be very similar to those of hydrotalcite calcined at 823 K.

Vinylcyclopropylacyl and polyeneacyl radicals. Intramolecular ketene alkyl radical additions in ring synthesis.

Science.gov (United States)

De Boeck, Benoit; Herbert, Nicola M A; Harrington-Frost, Nicole M; Pattenden, Gerald

2005-01-21

Treatment of a variety of substituted vinylcyclopropyl selenyl esters, e.g. 11, with Bu(3)SnH-AIBN in refluxing benzene leads to the corresponding acyl radical intermediates, which undergo rearrangement and intramolecular cyclisations via their ketene alkyl radical equivalents producing cyclohexenones in 50-60% yield. By contrast, treatment of conjugated triene selenyl esters, e.g. 32, with Bu(3)SnH-AIBN produces substituted 2-cyclopentenones via intramolecular cyclisations of their ketene alkyl radical intermediates. Under the same radical-initiating conditions the selenyl esters derived from o-vinylbenzoic acid and o-vinylcinnamic acid undergo intramolecular cyclisations producing 1-indanone and 5,6-dihydrobenzocyclohepten-7-one respectively in 60-70% yields. A tandem radical cyclisation from the alpha,beta,gamma,delta-diene selenyl ester 31 provides an expeditious synthesis of the diquinane 35 in 69% yield.

Structure and Intramolecular Proton Transfer of Alanine Radical Cations

International Nuclear Information System (INIS)

Lee, Gab Yong

2012-01-01

The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the NH 2 group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [NH 3 + -CHCH 3 -COO·], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol

On the adsorption/reaction of acetone on pure and sulfate-modified zirconias.

Science.gov (United States)

Crocellà, Valentina; Cerrato, Giuseppina; Morterra, Claudio

2013-08-28

In situ FTIR spectroscopy was employed to investigate some aspects of the ambient temperature (actually, IR-beam temperature) adsorption of acetone on various pure and sulfate-doped zirconia specimens. Acetone uptake yields, on all examined systems and to a variable extent, different types of specific molecular adsorption, depending on the kind/population of available surface sites: relatively weak H-bonding interaction(s) with surface hydroxyls, medium-strong coordinative interaction with Lewis acidic sites, and strong H-bonding interaction with Brønsted acidic centres. Moreover acetone, readily and abundantly adsorbed in molecular form, is able to undergo the aldol condensation reaction (yielding, as the main reaction product, adsorbed mesityl oxide) only if the adsorbing material possesses some specific surface features. The occurrence/non-occurrence of the acetone self-condensation reaction is discussed, and leads to conclusions concerning the sites that catalyze the condensation reaction that do not agree with either of two conflicting interpretations present in the literature of acetone uptake/reaction on, mainly, zeolitic systems. In particular, what turns out to be actually necessary for the acetone aldol condensation reaction to occur on the examined zirconia systems is the presence of coordinatively unsaturated O(2-) surface sites of basicity sufficient to lead to the extraction of a proton from one of the CH3 groups of adsorbed acetone.

Catalytic Upgrading of 5-Hydroxymethylfurfural to Drop-in Biofuels by Solid Base and Bifunctional Metal-Acid Catalysts.

Science.gov (United States)

Bohre, Ashish; Saha, Basudeb; Abu-Omar, Mahdi M

2015-12-07

Design and synthesis of effective heterogeneous catalysts for the conversion of biomass intermediates into long chain hydrocarbon precursors and their subsequent deoxygenation to hydrocarbons is a viable strategy for upgrading lignocellulose into distillate range drop-in biofuels. Herein, we report a two-step process for upgrading 5-hydroxymethylfurfural (HMF) to C9 and C11 fuels with high yield and selectivity. The first step involves aldol condensation of HMF and acetone with a water tolerant solid base catalyst, zirconium carbonate (Zr(CO3 )x ), which gave 92 % C9 -aldol product with high selectivity at nearly 100 % HMF conversion. The as-synthesised Zr(CO3 )x was analysed by several analytical methods for elucidating its structural properties. Recyclability studies of Zr(CO3 )x revealed a negligible loss of its activity after five consecutive cycles over 120 h of operation. Isolated aldol product from the first step was hydrodeoxygenated with a bifunctional Pd/Zeolite-β catalyst in ethanol, which showed quantitative conversion of the aldol product to n-nonane and 1-ethoxynonane with 40 and 56 % selectivity, respectively. 1-Ethoxynonane, a low oxygenate diesel range fuel, which we report for the first time in this paper, is believed to form through etherification of the hydroxymethyl group of the aldol product with ethanol followed by opening of the furan ring and hydrodeoxygenation of the ether intermediate. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intramolecular electron transfer in single-site-mutated azurins

DEFF Research Database (Denmark)

Farver, O; Skov, L K; Pascher, T

1993-01-01

. Natl. Acad. Sci. U.S.A. 86, 6968-6972]. The RSSR- radical produced in the above reaction was reoxidized in a slower intramolecular electron-transfer process (30-70 s-1 at 298 K) concomitant with a further reduction of the Cu(II) ion. The temperature dependence of the latter rates was determined......, lambda = 135 kJ mol-1 for the reorganization energy was derived. When Trp48, situated midway between the donor and the acceptor, was replaced by Leu or Met, only a small change in the rate of intramolecular electron transfer was observed, indicating that the aromatic residue in this position...... is apparently only marginally involved in electron transfer in wild-type azurin. Pathway calculations also suggest that a longer, through-backbone path is more efficient than the shorter one involving Trp48. The former pathway yields an exponential decay factor, beta, of 6.6 nm-1. Another mutation, raising...

CONDENSATION OF WATER VAPOR IN A VERTICAL TUBE CONDENSER

Directory of Open Access Journals (Sweden)

Jan Havlík

2015-10-01

Full Text Available This paper presents an analysis of heat transfer in the process of condensation of water vapor in a vertical shell-and-tube condenser. We analyze the use of the Nusselt model for calculating the condensation heat transfer coefficient (HTC inside a vertical tube and the Kern, Bell-Delaware and Stream-flow analysis methods for calculating the shell-side HTC from tubes to cooling water. These methods are experimentally verified for a specific condenser of waste process vapor containing air. The operating conditions of the condenser may be different from the assumptions adopted in the basic Nusselt theory. Modifications to the Nusselt condensation model are theoretically analyzed.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. Ying Tang. Articles written in Journal of Chemical Sciences. Volume 125 Issue 2 March 2013 pp 313-320. Modified calcium oxide as stable solid base catalyst for Aldol condensation reaction · Ying Tang Jingfang Xu Xuefan Gu · More Details Abstract Fulltext PDF. A highly ...

Symmetry of intramolecular quantum dynamics

CERN Document Server

Burenin, Alexander V

2012-01-01

The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

Steam condenser

International Nuclear Information System (INIS)

Masuda, Fujio

1980-01-01

Purpose: To enable safe steam condensation by providing steam condensation blades at the end of a pipe. Constitution: When high temperature high pressure steam flows into a vent pipe having an opening under water in a pool or an exhaust pipe or the like for a main steam eacape safety valve, non-condensable gas filled beforehand in the steam exhaust pipe is compressed, and discharged into the water in the pool. The non-condensable gas thus discharged from the steam exhaust pipe is introduced into the interior of the hollow steam condensing blades, is then suitably expanded, and thereafter exhausted from a number of exhaust holes into the water in the pool. In this manner, the non-condensable gas thus discharged is not directly introduced into the water in the pool, but is suitable expanded in the space of the steam condensing blades to suppress extreme over-compression and over-expansion of the gas so as to prevent unstable pressure vibration. (Yoshihara, H.)

Preventing freezing of condensate inside tubes of air cooled condenser

International Nuclear Information System (INIS)

Joo, Jeong A; Hwang, In Hwan; Lee, Dong Hwan; Cho, Young Il

2012-01-01

An air cooled condenser is a device that is used for converting steam into condensate by using ambient air. The air cooled condenser is prone to suffer from a serious explosion when the condensate inside the tubes of a heat exchanger is frozen; in particular, tubes can break during winter. This is primarily due to the structural problem of the tube outlet of an existing conventional air cooled condenser system, which causes the backflow of residual steam and noncondensable gases. To solve the backflow problem in such condensers, such a system was simulated and a new system was designed and evaluated in this study. The experimental results using the simulated condenser showed the occurrence of freezing because of the backflow inside the tube. On the other hand, no backflow and freezing occurred in the advanced new condenser, and efficient heat exchange occurred

Condensate subcooling near tube exit during horizontal in-tube condensation

International Nuclear Information System (INIS)

Hashizume, K.; Abe, N.; Ozeki, T.

1992-01-01

In-tube condensation is encountered in various applications for heat exchangers, such as domestic air-conditioning equipment, industrial air-cooled condensers, and moisture separator reheaters (MSRs) for nuclear power pants. Numerous research work has been conducted to predict the condensation heat transfer coefficient, and we have now enough information for thermal design of heat exchangers with horizontal in-tube condensation. Most of the research is analytical and/or experimental work in the annular or stratified flow regime, or experimental work on bulk condensation, i.e., from saturated vapor to complete condensation. On the other hand, there exist few data about the heat transfer phenomena in the very lower-quality region near the tube exit. The purpose of this paper is to clarify the condensation heat transfer phenomena near the tube exit experimentally and analytically, and to predict the degree of condensate subcooling

Benzothiazole-Based AIEgen with Tunable Excited-State Intramolecular Proton Transfer and Restricted Intramolecular Rotation Processes for Highly Sensitive Physiological pH Sensing.

Science.gov (United States)

Li, Kai; Feng, Qi; Niu, Guangle; Zhang, Weijie; Li, Yuanyuan; Kang, Miaomiao; Xu, Kui; He, Juan; Hou, Hongwei; Tang, Ben Zhong

2018-04-23

In this work, a benzothiazole-based aggregation-induced emission luminogen (AIEgen) of 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole (3) was designed and synthesized, which exhibited multifluorescence emissions in different dispersed or aggregated states based on tunable excited-state intramolecular proton transfer (ESIPT) and restricted intramolecular rotation (RIR) processes. 3 was successfully used as a ratiometric fluorescent chemosensor for the detection of pH, which exhibited reversible acid/base-switched yellow/cyan emission transition. More importantly, the pH jump of 3 was very precipitous from 7.0 to 8.0 with a midpoint of 7.5, which was well matched with the physiological pH. This feature makes 3 very suitable for the highly sensitive detection of pH fluctuation in biosamples and neutral water samples. 3 was also successfully used as a ratiometric fluorescence chemosensor for the detection of acidic and basic organic vapors in test papers.

Synthesis of Renewable Lubricant Alkanes from Biomass-Derived Platform Chemicals.

Science.gov (United States)

Gu, Mengyuan; Xia, Qineng; Liu, Xiaohui; Guo, Yong; Wang, Yanqin

2017-10-23

The catalytic synthesis of liquid alkanes from renewable biomass has received tremendous attention in recent years. However, bio-based platform chemicals have not to date been exploited for the synthesis of highly branched lubricant alkanes, which are currently produced by hydrocracking and hydroisomerization of long-chain n-paraffins. A selective catalytic synthetic route has been developed for the production of highly branched C 23 alkanes as lubricant base oil components from biomass-derived furfural and acetone through a sequential four-step process, including aldol condensation of furfural with acetone to produce a C 13 double adduct, selective hydrogenation of the adduct to a C 13 ketone, followed by a second condensation of the C 13 ketone with furfural to generate a C 23 aldol adduct, and finally hydrodeoxygenation to give highly branched C 23 alkanes in 50.6 % overall yield from furfural. This work opens a general strategy for the synthesis of high-quality lubricant alkanes from renewable biomass. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dependency of the regio- and stereoselectivity of intramolecular, ring-closing glycosylations upon the ring size

Directory of Open Access Journals (Sweden)

Patrick Claude

2011-12-01

Full Text Available Phenyl 3,4,6-tri-O-benzyl-2-O-(3-carboxypropionyl-1-thio-β-D-galactopyranoside (1 was condensed via its pentafluorophenyl ester 2 with 5-aminopentyl (4a, 4-aminobutyl (4b, 3-aminopropyl (4c and 2-aminoethyl 4,6-O-benzylidene-β-D-glucopyranoside (4d, prepared from the corresponding N-Cbz protected glucosides 3a–d, to give the corresponding 2-[3-(alkylcarbamoylpropionyl] tethered saccharides 5a–d. Intramolecular, ring closing glycosylation of the saccharides with NIS and TMSOTf afforded the tethered β(1→3 linked disaccharides 6a–c, the α(1→3 linked disaccharides 7a–d and the α(1→2 linked disaccharide 8d in ratios depending upon the ring size formed during glycosylation. No β(1→2 linked disaccharides were formed. Molecular modeling of saccharides 6–8 revealed that a strong aromatic stacking interaction between the aromatic parts of the benzyl and benzylidene protecting groups in the galactosyl and glucosyl moieties was mainly responsible for the observed regioselectivity and anomeric selectivity of the ring-closing glycosylation step.

Preparation of CN /Carbon Nanotube Intramolecular Junctions by ...

African Journals Online (AJOL)

NICO

intramolecular junctions composed of CNx with a bamboo-like structure and empty hollow carbon nanotubes were observed, ... and excellent thermal and mechanical properties.1,2 In recent .... tion of hexane, and the other segment with a curved compart- ... by an arrow lies at the interface of the junction between 'b' and.

Regulation of interleukin-4 signaling by extracellular reduction of intramolecular disulfides

International Nuclear Information System (INIS)

Curbo, Sophie; Gaudin, Raphael; Carlsten, Mattias; Malmberg, Karl-Johan; Troye-Blomberg, Marita; Ahlborg, Niklas; Karlsson, Anna; Johansson, Magnus; Lundberg, Mathias

2009-01-01

Interleukin-4 (IL-4) contains three structurally important intramolecular disulfides that are required for the bioactivity of the cytokine. We show that the cell surface of HeLa cells and endotoxin-activated monocytes can reduce IL-4 intramolecular disulfides in the extracellular space and inhibit binding of IL-4 to the IL-4Rα receptor. IL-4 disulfides were in vitro reduced by thioredoxin 1 (Trx1) and protein disulfide isomerase (PDI). Reduction of IL-4 disulfides by the cell surface of HeLa cells was inhibited by auranofin, an inhibitor of thioredoxin reductase that is an electron donor to both Trx1 and PDI. Both Trx1 and PDI have been shown to be located at the cell surface and our data suggests that these enzymes are involved in catalyzing reduction of IL-4 disulfides. The pro-drug N-acetylcysteine (NAC) that promotes T-helper type 1 responses was also shown to mediate the reduction of IL-4 disulfides. Our data provides evidence for a novel redox dependent pathway for regulation of cytokine activity by extracellular reduction of intramolecular disulfides at the cell surface by members of the thioredoxin enzyme family.

Intramolecular BSSE and dispersion affect the structure of a dipeptide conformer

Science.gov (United States)

Hameed, Rabia; Khan, Afsar; van Mourik, Tanja

2018-05-01

B3LYP and MP2 calculations with the commonly-used 6-31+G(d) basis set predict qualitatively different structures for the Tyr-Gly conformer book1, which is the most stable conformer identified in a previous study. The structures differ mainly in the ψtyr Ramachandran angle (138° in the B3LYP structure and 120° in the MP2 structure). The causes for the discrepant structures are attributed to missing dispersion in the B3LYP calculations and large intramolecular BSSE in the MP2 calculations. The correct ψtyr value is estimated to be 130°. The MP2/6-31+G(d) profile identified an additional conformer, not present on the B3LYP surface, with a ψtyr value of 96° and a more folded structure. This minimum is, however, likely an artefact of large intramolecular BSSE values. We recommend the use of basis sets of at least quadruple-zeta quality in density functional theory (DFT), DFTaugmented with an empirical dispersion term (DFT-D) and second-order Møller-Plesset perturbation theory (MP2 ) calculations in cases where intramolecular BSSE is expected to be large.

Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π-π stacking.

Science.gov (United States)

Congrave, Daniel G; Hsu, Yu-Ting; Batsanov, Andrei S; Beeby, Andrew; Bryce, Martin R

2018-02-06

The potential of intramolecular π-π interactions to influence the photophysical properties of diiridium complexes is an unexplored topic, and provides the motivation for the present study. A series of diarylhydrazide-bridged diiridium complexes functionalised with phenylpyridine (ppy)-based cyclometalating ligands is reported. It is shown by NMR studies in solution and single crystal X-ray analysis that intramolecular π-π interactions between the bridging and cyclometalating ligands rigidify the complexes leading to high luminescence quantum efficiencies in solution and in doped films. Fluorine substituents on the phenyl rings of the bridge promote the intramolecular π-π interactions. Notably, these non-covalent interactions are harnessed in the rational design and synthesis of the first examples of highly emissive sky-blue diiridium complexes featuring conjugated bridging ligands, for which they play a vital role in the structural and photophysical properties. Experimental results are supported by computational studies.

Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.

Science.gov (United States)

Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa

2017-05-05

An enantio- and stereoselective construction of the atisane scaffold via organocatalytic intramolecular Michael reaction and Diels-Alder reaction is described. The organocatalytic intramolecular Michael reaction has been found to stereoselectively generate a trans-stereodiad comprising an all-carbon quaternary and a tertiary stereogenic centers. Use of the chiral secondary amine bearing thiourea with benzoic acid as additive is the key to obtaining the desired product with excellent ee in synthetically acceptable yield. The prepared chiral building block has been successfully converted to the compound including the atisane scaffold via the highly stereoselective intramolecular Diels-Alder reaction.

Expedient synthesis of C-aryl carbohydrates by consecutive biocatalytic benzoin and aldol reactions.

Science.gov (United States)

Hernández, Karel; Parella, Teodor; Joglar, Jesús; Bujons, Jordi; Pohl, Martina; Clapés, Pere

2015-02-16

The introduction of aromatic residues connected by a C-C bond into the non-reducing end of carbohydrates is highly significant for the development of innovative structures with improved binding affinity and selectivity (e.g., C-aril-sLex). In this work, an expedient asymmetric "de novo" synthetic route to new aryl carbohydrate derivatives based on two sequential stereoselectively biocatalytic carboligation reactions is presented. First, the benzoin reaction of aromatic aldehydes to dimethoxyacetaldehyde is conducted, catalyzed by benzaldehyde lyase from Pseudomonas fluorescens biovar I. Then, the α-hydroxyketones formed are reduced by using NaBH4 yielding the anti diol. After acetal hydrolysis, the aldol addition of dihydroxyacetone, hydroxyacetone, or glycolaldehyde catalyzed by the stereocomplementary D-fructose-6-phosphate aldolase and L-rhamnulose-1-phosphate aldolase is performed. Both aldolases accept unphosphorylated donor substrates, avoiding the need of handling the phosphate group that the dihydroxyacetone phosphate-dependent aldolases require. In this way, 6-C-aryl-L-sorbose, 6-C-aryl-L-fructose, 6-C-aryl-L-tagatose, and 5-C-aryl-L-xylose derivatives are prepared by using this methodology. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solvent-dependent reactions for the synthesis of β-keto-benzo-δ-sultone scaffolds via DBU-catalyzed O-sulfonylation/intramolecular Baylis-Hillman/1,3-H shift or dehydration tandem sequences.

Science.gov (United States)

Ghandi, Mehdi; Bozcheloei, Abolfazl Hasani; Nazari, Seyed Hadi; Sadeghzadeh, Masoud

2011-12-16

We have developed a solvent-dependent method for the synthesis of novel benzo-δ-sultone scaffolds. A variety of benzylbenzo[e][1,2]oxathiin-4(3H)-one-2,2-dioxides were obtained in high yields in DMF using a one-pot, DBU-catalyzed condensation of 2-hydroxybenzaldehydes with a number of (E)-2-phenylethenesulfonyl chlorides. On the other hand, the initially prepared 2-formylphenyl-(E)-2-phenylethenesulfonate derivatives underwent DBU-catalyzed reactions to a series of 3-[methoxy(phenyl)methyl]benzo[e][1,2]oxathiine-2,2-dioxides in moderate to good yields in MeOH. These reactions presumably proceed via DBU-catalyzed O-sulfonylation/intramolecular Baylis-Hillman/1,3-H shift or dehydration tandem sequences, respectively.

One-pot conversion of biomass-derived xylose and furfural into levulinate esters via acid catalysis.

Science.gov (United States)

Hu, Xun; Jiang, Shengjuan; Wu, Liping; Wang, Shuai; Li, Chun-Zhu

2017-03-07

Direct conversion of biomass-derived xylose and furfural into levulinic acid, a platform molecule, via acid-catalysis has been accomplished for the first time in dimethoxymethane/methanol. Dimethoxymethane acted as an electrophile to transform furfural into 5-hydroxymethylfurfural (HMF). Methanol suppressed both the polymerisation of the sugars/furans and the Aldol condensation of levulinic acid/ester.

Total synthesis of (3S, 5R, 3'S, 5'R)-capsorubin

International Nuclear Information System (INIS)

Frederico, Daniel; Constantino, Mauricio G.; Donate, Paulo M.

2009-01-01

The total synthesis of enantiomerically enriched (3S, 5R, 3'S, 5'R)-capsorubin (1) by aldol condensation of (1R, 4S)-1-(4-hydroxy-1,2,2-trimethyl-cyclopentyl)ethanone (2a) and crocetindial (3) is described. An alternative, short eight-step synthesis of the optically active compound 2a (ee 89%) is also reported. (author)

Free-radical-mediated conjugate additions. Enantioselective synthesis of butyrolactone natural products: (-)-enterolactone, (-)-arctigenin, (-)-isoarctigenin, (-)-nephrosteranic acid, and (-)-roccellaric acid.

Science.gov (United States)

Sibi, Mukund P; Liu, Pingrong; Ji, Jianguo; Hajra, Saumen; Chen, Jian-xie

2002-03-22

Lewis acid-mediated conjugate addition of alkyl radicals to a differentially protected fumarate 10 produced the monoalkylated succinates with high chemical efficiency and excellent stereoselectivity. A subsequent alkylation or an aldol reaction furnished the disubstituted succinates with syn configuration. The chiral auxiliary, 4-diphenylmethyl-2-oxazolidinone, controlled the stereoselectivity in both steps. Manipulation of the disubstituted succinates obtained by alkylation furnished the natural products (-)-enterolactone, (-)-arctigenin, and (-)-isoarctigenin. The overall yields for the target natural products were 20-26% over six steps. Selective functionalization of the disubstituted succinates obtained by aldol condensation gave the paraconic acid natural products (-)-nephrosteranic acid (8) and (-)-roccellaric acid (9). The overall yield of the natural products 8 and 9 over four steps was 53% and 42%, respectively.

Water Condensation

DEFF Research Database (Denmark)

Jensen, Kasper Risgaard; Fojan, Peter; Jensen, Rasmus Lund

2014-01-01

The condensation of water is a phenomenon occurring in multiple situations in everyday life, e.g., when fog is formed or when dew forms on the grass or on windows. This means that this phenomenon plays an important role within the different fields of science including meteorology, building physics......, and chemistry. In this review we address condensation models and simulations with the main focus on heterogeneous condensation of water. The condensation process is, at first, described from a thermodynamic viewpoint where the nucleation step is described by the classical nucleation theory. Further, we address...

Intramolecular inverse electron demand Diels-Alder reactions of pyrimidines

NARCIS (Netherlands)

Frissen, A.E.

1990-01-01

This thesis deals with the intramolecular inverse electron demand Diels-Alder reaction of pyrimidines. The main objective of the study was to investigate the synthetic applicability of this reaction and to get more insight in the electronic and steric effects which determine the reactivity

Intramolecular 13C analysis of tree rings provides multiple plant ecophysiology signals covering decades.

Science.gov (United States)

Wieloch, Thomas; Ehlers, Ina; Yu, Jun; Frank, David; Grabner, Michael; Gessler, Arthur; Schleucher, Jürgen

2018-03-22

Measurements of carbon isotope contents of plant organic matter provide important information in diverse fields such as plant breeding, ecophysiology, biogeochemistry and paleoclimatology. They are currently based on 13 C/ 12 C ratios of specific, whole metabolites, but we show here that intramolecular ratios provide higher resolution information. In the glucose units of tree-ring cellulose of 12 tree species, we detected large differences in 13 C/ 12 C ratios (>10‰) among carbon atoms, which provide isotopically distinct inputs to major global C pools, including wood and soil organic matter. Thus, considering position-specific differences can improve characterisation of soil-to-atmosphere carbon fluxes and soil metabolism. In a Pinus nigra tree-ring archive formed from 1961 to 1995, we found novel 13 C signals, and show that intramolecular analysis enables more comprehensive and precise signal extraction from tree rings, and thus higher resolution reconstruction of plants' responses to climate change. Moreover, we propose an ecophysiological mechanism for the introduction of a 13 C signal, which links an environmental shift to the triggered metabolic shift and its intramolecular 13 C signature. In conclusion, intramolecular 13 C analyses can provide valuable new information about long-term metabolic dynamics for numerous applications.

Rapid examination of the kinetic process of intramolecular lactamization of gabapentin using DSC-FTIR

International Nuclear Information System (INIS)

Hsu, C.-H.; Lin, S.-Y.

2009-01-01

The thermal stability and thermodynamics of gabapentin (GBP) in the solid state were investigated by DSC and TG techniques, and FTIR microspectroscopy. The detailed intramolecular lactamization process of GBP to form gabapentin-lactam (GBP-L) was also determined by thermal FTIR microspectroscopy. GBP exhibited a DSC endothermic peak at 169 deg. C. The weight loss in TG curve of GBP suggested that the evaporation process of water liberated via intramolecular lactamization was simultaneously combined with the evaporation process of GBP-L having a DSC endothermic peak at 91 deg. C. A thermal FTIR microspectroscopy clearly evidenced the IR spectra at 3350 cm -1 for water liberated and at 1701 cm -1 for lactam structure formed due to the lactam formation of GBP. This study indicates that the activation energy for combined processes of intramolecular lactamization of GBP and evaporation of GBP-L was about 114.3 ± 23.3 kJ/mol, but for the evaporation of GBP-L alone was 76.2 ± 1.5 kJ/mol. A powerful simultaneous DSC-FTIR combined technique was easily used to quickly examine the detailed kinetic processes of intramolecular cyclization of GPB and evaporation of GBP-L in the solid state

Intramolecularly Protein-Crosslinked DNA Gels: New Biohybrid Nanomaterials with Controllable Size and Catalytic Activity.

Science.gov (United States)

Zhou, Li; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien

2017-07-01

DNA micro- and nanogels-small-sized hydrogels made of a crosslinked DNA backbone-constitute new promising materials, but their functions have mainly been limited to those brought by DNA. Here a new way is described to prepare sub-micrometer-sized DNA gels of controllable crosslinking density that are able to embed novel functions, such as an enzymatic activity. It consists of using proteins, instead of traditional base-pairing assembly or covalent approaches, to form crosslinks inside individual DNA molecules, resulting in structures referred to as intramolecularly protein-crosslinked DNA gels (IPDGs). It is first shown that the addition of streptavidin to biotinylated T4DNA results in the successful formation of thermally stable IPDGs with a controllable crosslinking density, forming structures ranging from elongated to raspberry-shaped and pearl-necklace-like morphologies. Using reversible DNA condensation strategies, this paper shows that the gels can be reversibly actuated at a low crosslinking density, or further stabilized when they are highly crosslinked. Finally, by using streptavidin-protein conjugates, IPDGs with various enzymes are successfully functionalized. It is demonstrated that the enzymes keep their catalytic activity upon their incorporation into the gels, opening perspectives ranging from biotechnologies (e.g., enzyme manipulation) to nanomedicine (e.g., vectorization). © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

New degradation compounds from lignocellulosic biomass pretreatment: routes for formation of potent oligophenolic enzyme inhibitors

DEFF Research Database (Denmark)

Rasmussen, H.; Tanner, David Ackland; Sørensen, H. R.

2017-01-01

-condensation reactions involving aldol condensations, 1,4 additions to α,β unsaturated carbonyl compounds, 3-keto acid decarboxylations and oxidations. Furthermore, pentose reactions with phenolic lignin components are suggested. The identification of the central role of xylose in the reaction routes for oligophenolic...... inhibitor formation led to the solution to protect the reactive anomeric center in xylose. It is shown that protection of the anomeric center in in situ generated xylose with ethylene glycol monobutyl ether, during pretreatment of wheat straw, reduces the level of oligophenols by 73%. The results pave...

OH stretching frequencies in systems with intramolecular hydrogen bonds

DEFF Research Database (Denmark)

Spanget-Larsen, Jens; Hansen, Bjarke Knud Vilster; Hansen, Poul Erik

2011-01-01

OH stretching wavenumbers were investigated for 30 species with intramolecularly hydrogen bonded hydroxyl groups, covering the range from 3600 to ca. 1900 cm-1. Theoretical wavenumbers were predicted with B3LYP/6-31G(d) density functional theory using the standard harmonic approximation, as well...

Symmetry of quantum intramolecular dynamics

International Nuclear Information System (INIS)

Burenin, Alexander V

2002-01-01

The paper reviews the current progress in describing quantum intramolecular dynamics using merely symmetry principles as a basis. This closed qualitative approach is of particular interest because it is the only method currently available for a broad class of topical problems in the internal dynamics of molecules. Moreover, a molecule makes a physical system whose collective internal motions are geometrically structured, so that its description by perturbation methods requires a symmetry analysis of this structure. The nature of the geometrical symmetry groups crucial for the closed formulation of the qualitative approach is discussed. In particular, the point group of a molecule is of this type. (methodological notes)

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

KAUST Repository

Vummaleti, Sai V. C.

2015-11-13

Density functional theory calculations have been used to investigate the reaction mechanism for the [Rh]-catalyzed intramolecular alkoxyacylation ([Rh] = [RhI(dppp)+] (dppp, 1,3-bis(diphenylphosphino)propane) and [Pd]/BPh3 dual catalytic system assisted intramolecular alkoxycyanation ([Pd] = Pd-Xantphos) using acylated and cyanated 2-allylphenol derivatives as substrates, respectively. Our results substantially confirm the proposed mechanism for both [Rh]- and [Pd]/ BPh3-mediated alkoxyfunctionalizations, offering a detailed geometrical and energetical understanding of all the elementary steps. Furthermore, for the [Rh]-mediated alkoxyacylation, our observations support the hypothesis that the quinoline group of the substrate is crucial to stabilize the acyl metal complex and prevent further decarbonylation. For [Pd]/BPh3-catalyzed alkoxycyanation, our findings clarify how the Lewis acid BPh3 cocatalyst accelerates the only slow step of the reaction, corresponding to the oxidative addition of the cyanate O-CN bond to the Pd center. © 2015 American Chemical Society.

Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

KAUST Repository

Vummaleti, Sai V. C.; Alghamdi, Miasser; Poater, Albert; Falivene, Laura; Scaranto, Jessica; Beetstra, Dirk J.; Morton, Jason G.; Cavallo, Luigi

2015-01-01

Density functional theory calculations have been used to investigate the reaction mechanism for the [Rh]-catalyzed intramolecular alkoxyacylation ([Rh] = [RhI(dppp)+] (dppp, 1,3-bis(diphenylphosphino)propane) and [Pd]/BPh3 dual catalytic system assisted intramolecular alkoxycyanation ([Pd] = Pd-Xantphos) using acylated and cyanated 2-allylphenol derivatives as substrates, respectively. Our results substantially confirm the proposed mechanism for both [Rh]- and [Pd]/ BPh3-mediated alkoxyfunctionalizations, offering a detailed geometrical and energetical understanding of all the elementary steps. Furthermore, for the [Rh]-mediated alkoxyacylation, our observations support the hypothesis that the quinoline group of the substrate is crucial to stabilize the acyl metal complex and prevent further decarbonylation. For [Pd]/BPh3-catalyzed alkoxycyanation, our findings clarify how the Lewis acid BPh3 cocatalyst accelerates the only slow step of the reaction, corresponding to the oxidative addition of the cyanate O-CN bond to the Pd center. © 2015 American Chemical Society.

Formation of benzo[f]-1-indanone frameworks by regulable intramolecular annulations of gem-dialkylthio trienynes.

Science.gov (United States)

Fang, Zhongxue; Liu, Ying; Barry, Badru-Deen; Liao, Peiqiu; Bi, Xihe

2015-02-20

An atom-economic route to benzo[f]-1-indanone frameworks has been developed starting from the readily available gem-dialkylthio trienynes by intramolecular annulations. The chemoselectivity of the intramolecular cyclizations can be regulated by both the base and the type of gas atmosphere used in the reaction, thus allowing the divergent synthesis of the corresponding functionalized benzo[f]-1-indanones in good to excellent yields.

Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.

Science.gov (United States)

Angeli, A; Peat, T S; Bartolucci, G; Nocentini, A; Supuran, C T; Carta, F

2016-12-28

A mild, efficient and one pot procedure to access benzoxazoles using easily accessible acylselenoureas as starting materials has been discovered. Mechanistic studies revealed a pH dependent intramolecular oxidative deselenization, with ring closure due to an intramolecular nucleophilic attack of a phenoxide ion. All the benzoxazoles herein reported possessed a primary sulfonamide zinc binding group and showed effective inhibitory action on the enzymes, carbonic anhydrases.

Intramolecular Diels-Alder Reactions in Organic Synthesis

OpenAIRE

Sizemore, Nicholas Blandford Luke

2014-01-01

Intramolecular Diels-Alder (IMDA) reactions are an important class of reactions in synthetic organic chemistry for the rapid construction of polycyclic frameworks. Three classes of IMDA reactions were investigated synthetically and computationally: 1) all-carbon type 1 IMDA reactions, 2) N-acylnitroso type 2 IMDA reactions, and 3) cyano-azadiene IMDA reactions. The first class was implemented in research toward the total synthesis of maoecrystal Z and isopalhinine A. The second class was stud...

Enantioselective synthesis of almorexant via iridium-catalysed intramolecular allylic amidation

NARCIS (Netherlands)

Fananas Mastral, Martin; Teichert, Johannes F.; Fernandez-Salas, Jose Antonio; Heijnen, Dorus; Feringa, Ben L.

2013-01-01

An enantioselective synthesis of almorexant, a potent antagonist of human orexin receptors, is presented. The chiral tetrahydroisoquinoline core structure was prepared via iridium-catalysed asymmetric intramolecular allylic amidation. Further key catalytic steps of the synthesis include an oxidative

THE ROLE OF INTRAMOLECULAR TIES ENERGY IN THE PYROLYSIS PROCESS OF PET

Directory of Open Access Journals (Sweden)

P. Iu. Salikov

2014-01-01

Full Text Available Summary. Recycling plastic waste to focus on. The main type of used products made of polyethylene terephthalate (PET is a container from the various types of beverages. There was considered a possibility of waste of PET (bottles, bottles, packaging containers by pyrolysis. Most of the proposed methods are not suitable for recycling (recycling of waste consumption contamination. Purpose - to develop technological foundations and optimum modes waste PET to obtain useful secondary products, taking into account the energy of chemical intramolecular bonds. Applied scientific basis of recycling PET into useful forms of secondary products, in particular the establishment of the collapse of the intramolecular bonds, depending on the temperature of the pyrolysis method of mathematical processing - differentiation of polynomial equations change in the degree of pyrolysis temperature-dependent. The optimum modes of processing. The block diagram of apparatus for processing contaminated waste PET pyrolysis methods of control processing in accordance with the specified composition of secondary products. The possibility of controlling the amount and types of fuel components of secondary products due to measurable parameters of the pyrolysis process. The effective temperature pyrolysis of waste PET with the CCA-tures energy intramolecular bonds.

Performance of evaporative condensers

Energy Technology Data Exchange (ETDEWEB)

Ettouney, Hisham M.; El-Dessouky, Hisham T.; Bouhamra, Walid; Al-Azmi, Bader

2001-07-01

Experimental investigation is conducted to study the performance of evaporative condensers/coolers. The analysis includes development of correlations for the external heat transfer coefficient and the system efficiency. The evaporative condenser includes two finned-tube heat exchangers. The system is designed to allow for operation of a single condenser, two condensers in parallel, and two condensers in series. The analysis is performed as a function of the water-to-air mass flow rate ratio (L/G) and the steam temperature. Also, comparison is made between the performance of the evaporative condenser and same device as an air-cooled condenser. Analysis of the collected data shows that the system efficiency increases at lower L/G ratios and higher steam temperatures. The system efficiency for various configurations for the evaporative condenser varies between 97% and 99%. Lower efficiencies are obtained for the air-cooled condenser, with values between 88% and 92%. The highest efficiency is found for the two condensers in series, followed by two condensers in parallel and then the single condenser. The parallel condenser configuration can handle a larger amount of inlet steam and can provide the required system efficiency and degree of subcooling. The correlation for the system efficiency gives a simple tool for preliminary system design. The correlation developed for the external heat transfer coefficient is found to be consistent with the available literature data. (Author)

Condensation of steam

International Nuclear Information System (INIS)

Prisyazhniuk, V.A.

2002-01-01

An equation for nucleation kinetics in steam condensation has been derived, the equation taking into account the concurrent and independent functioning of two nucleation mechanisms: the homogeneous one and the heterogeneous one. The equation is a most general-purpose one and includes all the previously known condensation models as special cases. It is shown how the equation can be used in analyzing the process of steam condensation in the condenser of an industrial steam-turbine plant, and in working out new ways of raising the efficiency of the condenser, as well as of the steam-turbine plant as a whole. (orig.)

Modelling of condensation phenomena

International Nuclear Information System (INIS)

Jeong, Jae Jun; Chang, Won Pyo

1996-07-01

Condensation occurs when vapor is cooled sufficiently below the saturation temperature to induce the nucleation of droplets. Such nucleation may occur homogeneously within the vapor or heterogeneously on entrained particular matter. Heterogeneous nucleation may occur on the walls of the system, where the temperature is below the saturation temperature. There are two forms of heterogeneous condensation, drop-wise and film-wise. Another form of condensation occurs when vapor directly contacts to subcooled liquid. In nuclear power plant systems, all forms of condensation may occur during normal operation or accident conditions. In this work the modelling of condensation is surveyed, including the Nusselts' laminar film condensation theory in 1916, Rohsenow's turbulent film condensation model in 1950s, and Chen's models in 1987. Major attention is paid on the film condensation models among various research results because of its importance in engineering applications. It is found that theory, experiment, and empirical correlations for film condensation are well established, but research for drop-wise and direct-contact condensation are not sufficient yet. Condensation models in the best-estimate system codes such as RELAP5/MOD3 and CATHARE2 are also investigated. 3 tabs., 11 figs., 36 refs. (Author)

Improved condenser design and condenser-fan operation for air-cooled chillers

International Nuclear Information System (INIS)

Yu, F.W.; Chan, K.T.

2006-01-01

Air-cooled chillers traditionally operate under head pressure control via staging constant-speed condenser fans. This causes a significant drop in their coefficient of performance (COP) at part load or low outdoor temperatures. This paper describes how the COP of these chillers can be improved by a new condenser design, using evaporative pre-coolers and variable-speed fans. A thermodynamic model for an air-cooled screw-chiller was developed, within which the condenser component considers empirical equations showing the effectiveness of an evaporative pre-cooler in lowering the outdoor temperature in the heat-rejection process. The condenser component also contains an algorithm to determine the number and speed of the condenser fans staged at any given set point of condensing temperature. It is found that the chiller's COP can be maximized by adjusting the set point based on any given chiller load and wet-bulb temperature of the outdoor air. A 5.6-113.4% increase in chiller COP can be achieved from the new condenser design and condenser fan operation. This provides important insights into how to develop more energy-efficient air-cooled chillers

Proceedings: Condenser technology conference

International Nuclear Information System (INIS)

Tsou, J.L.; Mussalli, Y.G.

1991-08-01

Seam surface condenser and associated systems performance strongly affects availability and heat rate in nuclear and fossil power plants. Thirty-six papers presented at a 1990 conference discuss research results, industry experience, and case histories of condenser problems and solutions. This report contains papers on life extension, performance improvement, corrosion and failure analysis, fouling prevention, and recommendation for future R ampersand D. The information represents recent work on condenser problems and solutions to improve the procurement, operation, and maintenance functions of power plant personnel. Several key points follow: A nuclear and a fossil power plant report show that replacing titanium tube bundles improves condenser availability and performance. One paper reports 10 years of experience with enhanced heat transfer tubes in utility condensers. The newly developed enhanced condenser tubes could further improve condensing heat transfer. A new resistance summation method improves the accuracy of condenser performance prediction, especially for stainless steel and titanium tubed condensers. Several papers describe improved condenser fouling monitoring techniques, including a review of zebra mussel issues

Intramolecular electron transfer through a bridging carboxylate group coordinated to two cobalt(III)-ions

International Nuclear Information System (INIS)

Wieghardt, K.

1978-01-01

Reduction of the binuclear μ-p-nitrobenzoato -di-μ-hydroxo -bis[triammine cobalt(III)] cation with (CH 3 ) 2 COH radicals yields a radical cation with the p-nitrobenzoato radical being coordinated to two cobalt(III) ions at the carboxylic group. The unprotonated form of this species undergoes intramolecular electron transfer producing Co(II) (k = (3.3 +- 0.3). x 10 3 s -1 ). The role of the carboxylate group in the intramolecular electron transfer process is tentatively assessed in terms of an intramolecular outer-sphere reaction because of lack of overlap of the donor orbitals (π) and the acceptor orbital (sigma). The protonated form of the radical cation (pKsub(a) = 2.5) disproportionates via a bimolecular process without production of Co(II). The effect of two coordinated Co(III) ions as compared to only one on the properties of the nitrobenzoate radical anion are discussed. (orig.) 891 HK 892 GM [de

Chemical origin of blue- and redshifted hydrogen bonds: intramolecular hyperconjugation and its coupling with intermolecular hyperconjugation.

Science.gov (United States)

Li, An Yong

2007-04-21

Upon formation of a H bond Y...H-XZ, intramolecular hyperconjugation n(Z)-->sigma*(X-H) of the proton donor plays a key role in red- and blueshift characters of H bonds and must be introduced in the concepts of hyperconjugation and rehybridization. Intermolecular hyperconjugation transfers electron density from Y to sigma*(X-H) and causes elongation and stretch frequency redshift of the X-H bond; intramolecular hyperconjugation couples with intermolecular hyperconjugation and can adjust electron density in sigma*(X-H); rehybridization causes contraction and stretch frequency blueshift of the X-H bond on complexation. The three factors--intra- and intermolecular hyperconjugations and rehybridization--determine commonly red- or blueshift of the formed H bond. A proton donor that has strong intramolecular hyperconjugation often forms blueshifted H bonds.

Condensate cleaning systems

International Nuclear Information System (INIS)

Yamamoto, Michiyoshi; Oosumi, Katsumi; Takashima, Yoshie; Mitani, Shinji.

1982-01-01

Purpose: To decrease the frequency for the backwash and regeneration operations due to the increase in the differential pressure resulted from claddings captured in a mixed floor type desalter, and decrease the amount of radioactive liquid wastes of claddings from the condensate systems by removing claddings with electromagnetic filters. Constitution: In an existent plant, a valves is disposed between a condensate pump and a mixed floor type desalter. A pipeway is branched from a condensate pipe between the condensate pipe and the valve, through which condensates are transferred by a pump to an electromagnetic filter such as of a high gradient type electromagntic filter to remove claddings, then returned to a condensate pipe between the valve and the mixed floor type desalter and, thereafter, are removed with ionic components in the mixed floor type desalter and fed to the reactor. (Yoshino, Y.)

Intramolecular electron transfer in ascorbate oxidase is enhanced in the presence of oxygen

DEFF Research Database (Denmark)

Farver, O; Wherland, S; Pecht, I

1994-01-01

Intramolecular electron transfer from the type 1 copper center to the type 3 copper(II) pair is induced in the multi-copper enzyme, ascorbate oxidase, following pulse radiolytic reduction of the type 1 Cu(II) ion. In the presence of a slight excess of dioxygen over ascorbate oxidase, interaction...... between the trinuclear copper center and O2 is observed even with singly reduced ascorbate oxidase molecules. Under these conditions, the rate constant for intramolecular electron transfer from type 1 Cu(I) to type 3 Cu(II) increases 5-fold to 1100 +/- 300 s-1 (20 degrees C, pH 5.8) as compared...

Condensation coefficient of water in a weak condensation state

International Nuclear Information System (INIS)

Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

2008-01-01

The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

Condensation coefficient of water in a weak condensation state

Science.gov (United States)

Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

2008-07-01

The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

Maintaining steam/condensate lines

International Nuclear Information System (INIS)

Russum, S.A.

1992-01-01

Steam and condensate systems must be maintained with the same diligence as the boiler itself. Unfortunately, they often are not. The water treatment program, critical to keeping the boiler at peak efficiency and optimizing operating life, should not stop with the boiler. The program must encompass the steam and condensate system as well. A properly maintained condensate system maximizes condensate recovery, which is a cost-free energy source. The fuel needed to turn the boiler feedwater into steam has already been provided. Returning the condensate allows a significant portion of that fuel cost to be recouped. Condensate has a high heat content. Condensate is a readily available, economical feedwater source. Properly treated, it is very pure. Condensate improves feedwater quality and reduces makeup water demand and pretreatment costs. Higher quality feedwater means more reliable boiler operation

Pd/NbOPO₄ multifunctional catalyst for the direct production of liquid alkanes from aldol adducts of furans.

Science.gov (United States)

Xia, Qi-Neng; Cuan, Qian; Liu, Xiao-Hui; Gong, Xue-Qing; Lu, Guan-Zhong; Wang, Yan-Qin

2014-09-08

Great efforts have been made to convert renewable biomass into transportation fuels. Herein, we report the novel properties of NbO(x)-based catalysts in the hydrodeoxygenation of furan-derived adducts to liquid alkanes. Excellent activity and stability were observed with almost no decrease in octane yield (>90% throughout) in a 256 h time-on-stream test. Experimental and theoretical studies showed that NbO(x) species play the key role in C-O bond cleavage. As a multifunctional catalyst, Pd/NbOPO4 plays three roles in the conversion of aldol adducts into alkanes: 1) The noble metal (in this case Pd) is the active center for hydrogenation; 2) NbO(x) species help to cleave the C-O bond, especially of the tetrahydrofuran ring; and 3) a niobium-based solid acid catalyzes the dehydration, thus enabling the quantitative conversion of furan-derived adducts into alkanes under mild conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation of intramolecular charge transfer state of 4-N, N ...

Indian Academy of Sciences (India)

Abstract. Intramolecular charge transfer of 4-N,N-dimethylamino cinnamaldehyde (DMACA) in vacuum and in five different aprotic solvents has been studied by using time-dependent density functional theory. (TDDFT). Polarizable continuum model (PCM) was employed to consider solvent–solute interactions. The potential ...

Enhanced Condensation Heat Transfer

Science.gov (United States)

Rose, John Winston

The paper gives some personal observations on various aspects of enhanced condensation heat transfer. The topics discussed are external condensation (horizontal low-finned tubes and wire-wrapped tubes), internal condensation (microfin tubes and microchannels) and Marangoni condensation of binary mixtures.

A novel stereoselective synthesis of N-heterocycles by intramolecular hydrovinylation

DEFF Research Database (Denmark)

Bothe, Ulrich; Rudbeck, H. C.; Tanner, David Ackland

2001-01-01

A novel method for the synthesis of bicyclic amines has been developed. Cyclisation of 1,6-dienes by intramolecular hydrovinylation in the presence of catalytic amounts of allylpalladium chloride dimer afforded bicyclic amines in one step. Added phosphines, silver salts, as well as the nature of ...

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

Energy Technology Data Exchange (ETDEWEB)

Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Gonthier, Jérôme F. [Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

2015-12-14

We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.

Biological and structure-activity evaluation of chalcone derivatives against bacteria and fungi

Energy Technology Data Exchange (ETDEWEB)

Silva, Wender A.; Andrade, Carlos Kleber Z.; Napolitano, Hamilton B., E-mail: wender@unb.br, E-mail: ckleber@unb.br [Universidade de Brasilia (LaQMOS/UnB), DF (Brazil). Inst. de Quimica; Vencato, Ivo; Castro, Miriam R.C. de; Camargo, Ademir J. [Universidade Estadual de Goias (UEG), Anapolis, GO (Brazil). Ciencias Exatas e Tecnologicas; Lariucci, Carlito [Universidade Estadual de Goias (UEG), Goiania, GO (Brazil). Inst. de Fisica

2013-01-15

The present work describes the antibacterial and antifungal activities of several chalcones obtained by a straight Claisen-Schmidt aldol condensation determined by the minimal inhibitory concentration against different microorganisms (Gram-positive and Gram-negative bacteria and fungi). Solid state crystal structures of seven chalcones were determined by X-ray diffraction (XRD) analysis. Chemometric studies were carried out in order to identify a potential structure activity relationship. (author)

Solvent-free synthesis of C10 and C11 branched alkanes from furfural and methyl isobutyl ketone.

Science.gov (United States)

Yang, Jinfan; Li, Ning; Li, Guangyi; Wang, Wentao; Wang, Aiqin; Wang, Xiaodong; Cong, Yu; Zhang, Tao

2013-07-01

Our best results jet: C10 and C11 branched alkanes, with low freezing points, are synthesized through the aldol condensation of furfural and methyl isobutyl ketone from lignocellulose, which is then followed by hydrodeoxygenation. These jet-fuel-range alkanes are obtained in high overall yields (≈90%) under solvent-free conditions. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Femtosecond laser studies of ultrafast intramolecular processes

Energy Technology Data Exchange (ETDEWEB)

Hayden, C. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01

The goal of this research is to better understand the detailed mechanisms of chemical reactions by observing, directly in time, the dynamics of fundamental chemical processes. In this work femtosecond laser pulses are used to initiate chemical processes and follow the progress of these processes in time. The authors are currently studying ultrafast internal conversion and subsequent intramolecular relaxation in unsaturated hydrocarbons. In addition, the authors are developing nonlinear optical techniques to prepare and monitor the time evolution of specific vibrational motions in ground electronic state molecules.

Comparison of sugar molecule decomposition through glucose and fructose: a high-level quantum chemical study.

Energy Technology Data Exchange (ETDEWEB)

Assary, R. S.; Curtiss, L. A. (Center for Nanoscale Materials); ( MSD); (Northwestern Univ.)

2012-02-01

Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules

Measurement of liquid-liquid equilibria for condensate + glycol and condensate + glycol + water systems

DEFF Research Database (Denmark)

Riaz, Muhammad; Kontogeorgis, Georgios; Stenby, Erling Halfdan

2011-01-01

,2-ethanediol (MEG) + condensate and MEG + water + condensate systems at temperatures from (275 to 323) K at atmospheric pressure. The condensate used in this work is a stabilized natural gas condensate from an offshore field in the North Sea. Compositional analysis of the natural gas condensate was carried out...... by gas chromatography, and detailed separation of individual condensate's components has been carried out. Approximately 85 peaks eluting before nonane were identified by their retention time. Peak areas were converted to mass fraction using 1-heptene as an internal standard. The components were divided...... into boiling range groups from hexane to nonane. Paraffinic (P), naphthenic (N), and aromatic (A) distributions were obtained for the boiling point fractions up to nonane. The average molar mass and the overall density of the condensate were measured experimentally. For the mutual solubility of MEG...

Low pressure lithium condensation

International Nuclear Information System (INIS)

Wadkins, R.P.; Oh, C.H.

1985-01-01

A low pressure experiment to evaluate the laminar film condensation coefficients of lithium was conducted. Some thirty-six different heat transfer tests were made at system pressures ranging from 1.3 to 26 Pa. Boiled lithium was condensed on the inside of a 7.6-cm (ID), 409 stainless-steel pipe. Condensed lithium was allowed to reflux back to the pool boiling region below the condensing section. Fourteen chromel/alumel thermocouples were attached in various regions of the condensing section. The thermocouples were initially calibrated with errors of less than one degree Celsius

On combinatorial properties of elementary intramolecular operations

Directory of Open Access Journals (Sweden)

Vladimir Rogojin

2014-11-01

Full Text Available Here we tackle a problem from biology in terms of discrete mathematics. We are interested in a complex DNA manipulation process happening in eukaryotic organisms of a subclass of ciliate species called {\\it Stichotrichia} during so-called gene assembly. This process is in particular interesting since one can interpret gene assembly in ciliates as sorting of permutations. We survey here results related to studies on sorting permutations with some specific rewriting rules that formalize elementary intramolecular gene assembly operations. The research question is ``what permutation may be sorted with our operations?"

On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems

DEFF Research Database (Denmark)

Hansen, Poul Erik; Spanget-Larsen, Jens

2012-01-01

OH stretching frequencies are investigated for a series of non-tautomerizing systems with intramolecular hydrogen bonds. Effective OH stretching wavenumbers are predicted by the application of empirical correlation procedures based on the results of B3LYP/6-31G(d) theoretical calculations...

Intramolecular Diels-Alder reactions of pyrimidines, a synthetic and computational study

NARCIS (Netherlands)

Stolle, W.A.W.

1992-01-01

This thesis deals with an investigation on the ringtransformation reactions of 2and 5-(ω-alkynyl)pyrimidine derivatives, which undergo upon heating an intramolecular Diels-Alder reaction and subsequently a spontaneous retro Diels- Alder reaction. To get a better insight into the

Recent applications of intramolecular Diels-Alder reactions to natural product synthesis

DEFF Research Database (Denmark)

Juhl, M.; Tanner, David Ackland

2009-01-01

This tutorial review presents some recent examples of intramolecular Diels-Alder (IMDA) reactions as key complexity-generating steps in the total synthesis of structurally intricate natural products. The opportunities afforded by transannular (TADA) versions of the IMDA reaction in complex molecu...... comprehensive, reviews....

Intramolecular excimer and exciplex emission of 1,4-dipyrenyl substituted cyclohexasilane

NARCIS (Netherlands)

van Walree, C.A.; Kaats-Richters, V.E.M.; Jenneskens, L.W.; Williams, R.M.; van Stokkum, I.H.M.

2002-01-01

Intramolecular excimer emission is observed for cis-1,4-di(1-pyrenyl)decamethylcyclohexasilane in nonpolar solvents. Time-resolved fluorescence spectroscopy and kinetic modelling indicate that the driving force of excimer formation is very small, and that the process is governed by the flexibility

SLAC synchronous condenser

International Nuclear Information System (INIS)

Corvin, C.

1995-06-01

A synchronous condenser is a synchronous machine that generates reactive power that leads real power by 90 degrees in phase. The leading reactive power generated by the condenser offsets or cancels the normal lagging reactive power consumed by inductive and nonlinear loads at the accelerator complex. The quality of SLAC's utility power is improved with the addition of the condenser. The inertia of the condenser's 35,000 pound rotor damps and smoothes voltage excursions on two 12 kilovolt master substation buses, improving voltage regulation site wide. The condenser absorbs high frequency transients and noise in effect ''scrubbing'' the electric system power at its primary distribution source. In addition, the condenser produces a substantial savings in power costs. Federal and investor owned utilities that supply electric power to SLAC levy a monthly penalty for lagging reactive power delivered to the site. For the 1993 fiscal year this totaled over $285,000 in added costs for the year. By generating leading reactive power on site, thereby reducing total lagging reactive power requirements, a substantial savings in electric utility bills is achieved. Actual savings of $150,000 or more a year are possible depending on experimental operations

Intramolecular photoinduced electron-transfer in azobenzene-perylene diimide

International Nuclear Information System (INIS)

Feng Wen-Ke; Wang Shu-Feng; Gong Qi-Huang; Feng Yi-Yu; Feng Wei; Yi Wen-Hui

2010-01-01

This paper studies the intramolecular photoinduced electron-transfer (PET) of covalent bonded azobenzene-perylene diimide (AZO-PDI) in solvents by using steady-state and time-resolved fluorescence spectroscopy together with ultrafast transient absorption spectroscopic techniques. Fast fluorescence quenching is observed when AZO-PDI is excited at characteristic wavelengths of AZO and perylene moieties. Reductive electron-transfer with transfer rate faster than 10 11 s −1 is found. This PET process is also consolidated by femtosecond transient absorption spectra

Conditions for maximum isolation of stable condensate during separation in gas-condensate systems

Energy Technology Data Exchange (ETDEWEB)

Trivus, N.A.; Belkina, N.A.

1969-02-01

A thermodynamic analysis is made of the gas-liquid separation process in order to determine the relationship between conditions of maximum stable condensate separation and physico-chemical nature and composition of condensate. The analysis was made by considering the multicomponent gas-condensate fluid produced from Zyrya field as a ternary system, composed of methane, an intermediate component (propane and butane) and a heavy residue, C/sub 6+/. Composition of 5 ternary systems was calculated for a wide variation in separator conditions. At each separator pressure there is maximum condensate production at a certain temperature. This occurs because solubility of condensate components changes with temperature. Results of all calculations are shown graphically. The graphs show conditions of maximum stable condensate separation.

Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.

Science.gov (United States)

Hooper, Joel F; James, Natalie C; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M; Holland, Mareike C; Gilmour, Ryan; Holmes, Andrew B; Houk, K N

2015-12-18

The intramolecular Diels-Alder reaction has been used as a powerful method to access the tricyclic core of the eunicellin natural products from a number of 9-membered-ring precursors. The endo/exo selectivity of this reaction can be controlled through a remarkable organocatalytic approach, employing MacMillan's imidazolidinone catalysts, although the mechanistic origin of this selectivity remains unclear. We present a combined experimental and density functional theory investigation, providing insight into the effects of medium-ring constraints on the organocatalyzed intramolecular Diels-Alder reaction to form the isobenzofuran core of the eunicellins.

Optimized measurements of separations and angles between intra-molecular fluorescent markers

DEFF Research Database (Denmark)

Mortensen, Kim; Sung, Jongmin; Flyvbjerg, Henrik

2015-01-01

We demonstrate a novel, yet simple tool for the study of structure and function of biomolecules by extending two-colour co-localization microscopy to fluorescent molecules with fixed orientations and in intra-molecular proximity. From each colour-separated microscope image in a time-lapse movie...

Heterocycles by Transition Metals Catalyzed Intramolecular Cyclization of Acetylene Compounds

International Nuclear Information System (INIS)

Vizer, S.A.; Yerzhanov, K.B.; Dedeshko, E.C.

2003-01-01

Review shows the new strategies in the synthesis of heterocycles, having nitrogen, oxygen and sulfur atoms, via transition metals catalyzed intramolecular cyclization of acetylenic compounds on the data published at the last 30 years, Unsaturated heterocyclic compounds (pyrroles and pyrroline, furans, dihydro furans and benzofurans, indoles and iso-indoles, isoquinolines and isoquinolinones, aurones, iso coumarins and oxazolinone, lactams and lactones with various substitutes in heterocycles) are formed by transition metals, those salts [PdCl 2 , Pd(OAc) 2 , HgCl 2 , Hg(OAc) 2 , Hg(OCOCF 3 ) 2 , AuCl 3 ·2H 2 O, NaAuCl 4 ·2H 2 O, CuI, CuCl], oxides (HgO) and complexes [Pd(OAc) 2 (PPh 3 )2, Pd(PPh 3 ) 4 , PdCl 2 (MeCN) 2 , Pd(OAc ) 2 /TPPTS] catalyzed intramolecular cyclization of acetylenic amines, amides, ethers, alcohols, acids, ketones and βdiketones. More complex hetero polycyclic systems typical for natural alkaloids can to obtain similar. Proposed mechanisms of pyrroles, isoquinolines, iso indoles and indoles, benzofurans and iso coumarins, thiazolopyrimidinones formation are considered. (author)

(E-3-Methyl-6-(3-oxo-3-(3,4,5-trimethoxyphenylprop-1-en-1-yl-2(3H-benzothiazolone

Directory of Open Access Journals (Sweden)

Yordanka Ivanova

2016-09-01

Full Text Available The title compound, (E-3-methyl-6-(3-oxo-3-(3,4,5-trimethoxyphenylprop-1-en-1-yl-2(3H-benzothiazolone, was synthesized by both an acid- and base-catalyzed aldol condensation of 3-methyl-6-acetyl-2(3H-benzothiazolone and 3,4,5-trimethoxyacetophenone. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis.

Light induced intramolecular electron and energy transfer events in rigidly linked borondipyrromethene: Corrole Dyad

Energy Technology Data Exchange (ETDEWEB)

Giribabu, Lingamallu, E-mail: giribabu@iict.res.in [Inorganic & Physical Chemistry Division, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500007, Telangana (India); Jain, Kanika [Department of Chemistry, School of Chemical Sciences & Pharmacy, Central University of Rajasthan, Kishangarh, Dist. Ajmer, Rajasthan 305817 (India); Sudhakar, Kolanu; Duvva, Naresh [Inorganic & Physical Chemistry Division, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500007, Telangana (India); Chitta, Raghu, E-mail: raghuchitta@curaj.ac.in [Department of Chemistry, School of Chemical Sciences & Pharmacy, Central University of Rajasthan, Kishangarh, Dist. Ajmer, Rajasthan 305817 (India)

2016-09-15

We have designed and synthesized a photo-induced energy/electron donor–acceptor conjugate comprising of corrole linked to BODIPY at the 5-position via ester linkage. The dyad was characterized by elemental analysis, MALDI-MS, UV-Visible, {sup 1}H NMR fluorescence spectroscopy (steady-state and time-resolved) as well as electrochemical methods. A comparison of the UV–visible and {sup 1}H NMR spectra of the dyad with those of the corresponding individual model compounds (i.e., BODIPY-CO{sub 2}H and BPFC-OH) reveal that there exist minimum π–π interactions between BODIPY and corrole π-planes. Quenched emission of BODIPY and corrole part of the dyad has been observed in five different solvents. Excitation spectral data provided evidence for an intramolecular excitation energy transfer (EET) from the singlet BODIPY to the corrole and an intramolecular photoinduced electron transfer (PET) from singlet state of corrole to ground state of BODIPY. Detailed analysis of the data suggests that Forster's dipole–dipole mechanism does not adequately explain this energy transfer but, an electron exchange mediated mechanism can, in principle, contribute to the intramolecular EET.

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

Science.gov (United States)

Gonthier, Jérôme F.; Corminboeuf, Clémence

2014-04-01

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

International Nuclear Information System (INIS)

Gonthier, Jérôme F.; Corminboeuf, Clémence

2014-01-01

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

Synthesis of novel steroid-tetrahydroquinoline hybrid molecules and D-homosteroids by intramolecular cyclization reactions.

Science.gov (United States)

Magyar, Angéla; Wölfling, János; Kubas, Melanie; Cuesta Seijo, Jose Antonio; Sevvana, Madhumati; Herbst-Irmer, Regine; Forgó, Péter; Schneider, Gyula

2004-05-01

Steroidal aryliminium salts were prepared from D-seco-pregnene aldehyde 2b, and their BF3.OEt2-catalyzed reactions were studied. The nature of the substituent R1 in the anilines 3-6 essentially influenced the chemoselectivity. Using unsubstituted 3, 4-methoxy- (4) or 4-bromoaniline (5), different tetrahydroquinoline derivatives 7a-13a via intramolecular hetero Diels-Alder reaction were formed. In the case of 4-nitroaniline (6) the N-arylamino-D-homopregnane (14a) were also obtained. We assume, that an intramolecular Prins reaction led to this type of fluoro-D-homosteroid. The main products represent a new class of tetrahydroquinolino-androstenes.

CMPO-calix[4]arenes with spacer containing intramolecular hydrogen bonding: Effect of local rigidification on solvent extraction toward f-block elements

International Nuclear Information System (INIS)

Chu, Hongzhu; He, Lutao; Jiang, Qian; Fang, Yuyu; Jia, Yiming; Yuan, Xiangyang; Zou, Shuliang; Li, Xianghui; Feng, Wen; Yang, Yuanyou; Liu, Ning; Luo, Shunzhong; Yang, Yanqiu; Yang, Liang; Yuan, Lihua

2014-01-01

Highlights: • Three CMPO-calix[4]arenes with spacer containing intramolecular hydrogen bonds were designed and synthesized. • The influence of local rigidification caused by intramolecular hydrogen bonds upon extraction of f-elements was investigated. • Selective extraction is realized via tuning local chelating surroundings by aid of intramolecular hydrogen bonds. -- Abstract: To understand intramolecular hydrogen bonding in effecting liquid–liquid extraction behavior of CMPO-calixarenes, three CMPO-modified calix[4]arenes (CMPO-CA) 5a–5c with hydrogen-bonded spacer were designed and synthesized. The impact of spacer rotation that is hindered by introduction of intramolecular hydrogen bonding upon extraction of La 3+ , Eu 3+ , Yb 3+ , Th 4+ , and UO 2 2+ has been examined. The results show that 5b and 5c containing only one hydrogen bond with a less hindered rotation spacer extract La 3+ more efficiently than 5a containing two hydrogen bonds with a more hindered rotation spacer, demonstrating the importance of local rigidification of spacer in the design of extractants in influencing the coordination environment. The large difference in extractability between La 3+ and Yb 3+ (or Eu 3+ ) by 5b (or 5c), and the small difference by 5a, suggests intramolecular hydrogen bonding do exert pronounced influence upon selective extraction of light and heavy lanthanides. Log–log plot analysis indicates a 1:1, 2:1 and 1:1 stoichiometry (ligand/metal) for the extracted complex formed between 5b and La 3+ , Th 4+ , UO 2 2+ , respectively. Additionally, their corresponding acyclic analogs 7a–7c exhibit negligible extraction toward these metal ions. These results reveal the possibility of selective extraction via tuning local chelating surroundings of CMPO-CA by aid of intramolecular hydrogen bonding

Enantioselective total synthesis of (+)-brefeldin A and 7-epi-brefeldin A.

Science.gov (United States)

Wu, Yikang; Shen, Xin; Yang, Yong-Qing; Hu, Qi; Huang, Jia-Hui

2004-05-28

A convergent enantioselective route to brefeldin A (BFA) and 7-epi-BFA was developed. The key C-4/C-5 chiral centers were established by using chiral auxiliary induced intermolecular asymmetric aldolization in the presence of TiCl(4) and TMEDA. The results with the thiazolidinethione/TiCl(4) mediated intermolecular asymmetric aldolization added some new information about the scope and limitations to the existing knowledge of that type of reactions (which so far was essentially limited to the reactions with N-propionyl thiazolidinethiones). During the course a method for protecting the liable aldol hydroxyl groups by using inexpensive TBSCl in DMF with 2,6-lutidine as the base was developed to replace the otherwise unavoidable TBSOTf procedure. Due to the excessive steric hindrance, removal of the auxiliary was much more difficult than most literature cases. Cleavage of the oxazolidinone by reduction was almost impossible. The thiazolidinethione auxiliary was relatively easier to remove. However, several reactions reported for facile removal of thiazolidinethione auxiliaries in the literature still failed. Reductive removal of the thiazolidinethione auxiliary was most effectively realized with LiBH(4) in diethyl ether in the presence of 1 equiv of MeOH (a modification of a literature procedure for removal of oxazolidinone auxiliaries in less hindered substrates). Apart from the auxiliary removal, oxidation of the alcohol into aldehyde and the deprotection of the dithiolane protecting group were also rather difficult in the present context. A range of methods were screened before final solutions were found. The five-membered ring was constructed by employing an intramolecular Mukaiyama reaction after many attempts with the intramolecular aldolization under a variety of conditions failed. The rate of elimination of the alkoxyl to form the alpha,beta-double bond of the key intermediate cyclopentenone 49 with DBU was highly solvent dependent (very sluggish in CH(2)Cl(2

Effects of non-condensable gas on the condensation of steam

International Nuclear Information System (INIS)

Jackson, J.D.; An, P.; Reinert, A.; Ahmadinejad, M.

2000-01-01

The experimental work reported here was undertaken with the aim of extending the database currently available on the condensation of steam in the presence of non-condensable gases and thereby improving the empirical input to thermal-hydraulic codes which might be used for design and safety assessment of advanced water-cooled nuclear reactors. Heat was removed from flowing mixtures of steam and air in a test section by means of a water-cooled condensing plate. The test facility constructed for the study incorporates a degassing unit which supplies water to a boiler. This delivers steam steadily to a mixing chamber where it joins with a flow of preheated air. The mixture of steam and air is supplied to the bottom of a cylindrical test section in which it flows upwards over a double sided condensing plate which can be vertical, inclined or horizontal, The rate at which heat is removed by cooling water flowing through internal passages in the plate can de determined calorimetrically knowing the flow rate of the water and its temperature rise. After commissioning experiments had shown that reliable measurements of condensation heat transfer rate could be made using the test facility, a programme of development work followed in the course of which three different designs of condensing plate were evaluated in turn. The version eventually used in the main programme of experiments which followed was made from copper. However, its surfaces were coated with a thin layer of nickel and then with one of chromium. It was found that such a surface consistently promoted dropwise condensation and showed no signs of deterioration after lengthy periods of use. The rate of heat removal from pure steam and from mixtures of steam and air in varying proportions was measured as a function of plate sub-cooling for a variety of plate orientations. (author)

Purification method for condensate

International Nuclear Information System (INIS)

Shimoda, Akiyoshi.

1996-01-01

Condensates generated in secondary coolant circuits of a PWR type reactor are filtered using a hollow thread separation membranes comprising aromatic polyether ketone. Preferably, condensates after passing through a turbine are filtered at a place between a condensator and a steam generator at high temperature as close as a temperature of the steam generator. As the hollow thread membrane, partially crystalline membrane comprising aromatic polyether ketone is used. When it is used at high temperature, the crystallinity is preferably not less than 15wt%. Since a hollow thread membrane comprising the aromatic polyether ketone of excellent heat resistance is used, it can filter and purify the condensates at not lower than 70degC. Accordingly, impurities such as colloidal iron can be removed from the condensates, and the precipitation of cruds in the condensates to a steam generator and a turbine can be suppressed. (I.N.)

Intramolecular Charge-Transfer Interaction of Donor-Acceptor-Donor Arrays Based on Anthracene Bisimide.

Science.gov (United States)

Iwanaga, Tetsuo; Ogawa, Marina; Yamauchi, Tomokazu; Toyota, Shinji

2016-05-20

We designed anthracene bisimide (ABI) derivatives having two triphenylamine (TPA) groups as donor units at the 9,10-positions to form a novel π-conjugated donor-acceptor system. These compounds and their analogues with ethynylene linkers were synthesized by Suzuki-Miyaura and Sonogashira coupling reactions, respectively. In UV-vis spectra, the linker-free derivatives showed broad absorption bands arising from intramolecular charge-transfer interactions. Introducing ethynylene linkers resulted in a considerable red shift of the absorption bands. In fluorescence spectra, the ethynylene derivatives showed intense emission bands at 600-650 nm. Their photophysical and electrochemical properties were compared with those of the corresponding mono TPA derivatives on the basis of theoretical calculations and cyclic voltammetry to evaluate the intramolecular electronic interactions between the donor and acceptor units.

Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots.

Science.gov (United States)

Joshi, Kaushik L; Chaudhuri, Santanu

2015-07-28

Chemical events that lead to thermal initiation and spontaneous ignition of the high-pressure phase of RDX are presented using reactive molecular dynamics simulations. In order to initiate the chemistry behind thermal ignition, approximately 5% of RDX crystal is subjected to a constant temperature thermal pulse for various time durations to create a hot spot. After application of the thermal pulse, the ensuing chemical evolution of the system is monitored using reactive molecular dynamics under adiabatic conditions. Thermal pulses lasting longer than certain time durations lead to the spontaneous ignition of RDX after an incubation period. For cases where the ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. Contrary to the widely accepted unimolecular models of initiation chemistry, N-N bond dissociations that produce NO2 species are suppressed in the condensed phase. The gradual temperature and pressure increase in the incubation period is accompanied by the accumulation of short-lived, heavier polyradicals. The polyradicals contain intact triazine rings from the RDX molecules. At certain temperatures and pressures, the polyradicals undergo ring-opening reactions, which fuel a series of rapid exothermic chemical reactions leading to a thermal runaway regime with stable gas-products such as N2, H2O and CO2. The evolution of the RDX crystal throughout the thermal initiation, incubation and thermal runaway phases observed in the reactive simulations contains a rich diversity of condensed-phase chemistry of nitramines under high-temperature/pressure conditions.

Simple Simulations of DNA Condensation

Energy Technology Data Exchange (ETDEWEB)

STEVENS,MARK J.

2000-07-12

Molecular dynamics simulations of a simple, bead-spring model of semiflexible polyelectrolytes such as DNA are performed. All charges are explicitly treated. Starting from extended, noncondensed conformations, condensed structures form in the simulations with tetravalent or trivalent counterions. No condensates form or are stable for divalent counterions. The mechanism by which condensates form is described. Briefly, condensation occurs because electrostatic interactions dominate entropy, and the favored Coulombic structure is a charge ordered state. Condensation is a generic phenomena and occurs for a variety of polyelectrolyte parameters. Toroids and rods are the condensate structures. Toroids form preferentially when the molecular stiffness is sufficiently strong.

Condensation shocks in high momentum two-phase flows in condensing injectors

International Nuclear Information System (INIS)

Anand, G.; Christensen, R.N.

1993-01-01

This study presents a phenomenological and mathematical model of condensation shocks in high momentum two-phase flows in condensing injectors. The characteristics of the shock were related to the mode of vapor bubble collapse. Using cavitation terminology, the bubble collapse can be classified as inertially controlled or thermally controlled. Inertial bubble collapse occurs rapidly whereas, a thermally controlled collapse results in a significantly longer collapse time. The interdependence between the bubble collapse mode and the momentum and pressure of the flow, was analyzed in this study. For low-temperature-high-velocity flows a steep pressure rise with complete condensation was obtained. For a high-temperature-low velocity flow with noncondensables, low pressure recovery with incomplete condensation was observed. These trends are in agreement with previous experimental observations

Condensation in complex geometries

International Nuclear Information System (INIS)

Lauro, F.

1975-01-01

A mathematical evaluation of the condensation exchange coefficient can only succeds for well specified cases: small upright or inclined plates, horizontal tubes, small height vertical tubes. Among the main hypotheses accounted for this mathematical development in the case of the condensate, a laminar flow and uniform surface temperature are always considered. In practice certain shapes of surfaces significantly increase the heat transfer during the vapor condensation on a surface wet by the condensate. Such surfaces are rough surfaces such as the condensate is submitted to surface tension effects, negligeable for plane or large curvature surfaces, and the nature of the material may play an important role (temperature gradients). Results from tests on tubes with special shapes, performed in France or out of France, are given [fr

Sedimentary condensation and authigenesis

Science.gov (United States)

Föllmi, Karl

2016-04-01

Most marine authigenic minerals form in sediments, which are subjected to condensation. Condensation processes lead to the formation of well individualized, extremely thin ( 100ky), and which experienced authigenesis and the precipitation of glaucony, verdine, phosphate, iron and manganese oxyhydroxides, iron sulfide, carbonate and/or silica. They usually show complex internal stratigraphies, which result from an interplay of sediment accumulation, halts in sedimentation, sediment winnowing, erosion, reworking and bypass. They may include amalgamated faunas of different origin and age. Hardgrounds may be part of condensed beds and may embody strongly condensed beds by themselves. Sedimentary condensation is the result of a hydrodynamically active depositional regime, in which sediment accumulation, winnowing, erosion, reworking and bypass are processes, which alternate as a function of changes in the location and intensity of currents, and/or as the result of episodic high-energy events engendered by storms and gravity flow. Sedimentary condensation has been and still is a widespread phenomenon in past and present-day oceans. The present-day distribution of glaucony and verdine-rich sediments on shelves and upper slopes, phosphate-rich sediments and phosphorite on outer shelves and upper slopes, ferromanganese crusts on slopes, seamounts and submarine plateaus, and ferromanganese nodules on abyssal seafloors is a good indication of the importance of condensation processes today. In the past, we may add the occurrence of oolitic ironstone, carbonate hardgrounds, and eventually also silica layers in banded iron formations as indicators of the importance of condensation processes. Besides their economic value, condensed sediments are useful both as a carrier of geochemical proxies of paleoceanographic and paleoenvironmental change, as well as the product of episodes of paleoceanographic and paleoenvironmental change themselves.

Conversion of raw lignocellulosic biomass into branched long-chain alkanes through three tandem steps.

Science.gov (United States)

Li, Chunrui; Ding, Daqian; Xia, Qineng; Liu, Xiaohui; Wang, Yanqin

2016-07-07

Synthesis of branched long-chain alkanes from renewable biomass has attracted intensive interest in recent years, but the feedstock for this synthesis is restricted to platform chemicals. Here, we develop an effective and energy-efficient process to convert raw lignocellulosic biomass (e.g., corncob) into branched diesel-range alkanes through three tandem steps for the first time. Furfural and isopropyl levulinate (LA ester) were prepared from hemicellulose and cellulose fractions of corncob in toluene/water biphasic system with added isopropanol, which was followed by double aldol condensation of furfural with LA ester into C15 oxygenates and the final hydrodeoxygenation of C15 oxygenates into branched long-chain alkanes. The core point of this tandem process is the addition of isopropanol in the first step, which enables the spontaneous transfer of levulinic acid (LA) into the toluene phase in the form of LA ester through esterification, resulting in LA ester co-existing with furfural in the same phase, which is the basis for double aldol condensation in the toluene phase. Moreover, the acidic aqueous phase and toluene can be reused and the residues, including lignin and humins in aqueous phase, can be separated and carbonized to porous carbon materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal and catalytic intramolecular [4+2]-cycloaddition in 2-alkenylfurans

International Nuclear Information System (INIS)

Zubkov, Fedor I; Nikitina, Evgenia V; Varlamov, Alexey V

2005-01-01

The published data on the intramolecular Diels-Alder reaction in compounds of the 2-alkenylfuran series are generalised. The methods and conditions for the preparation of tricyclic systems are considered. The effects of the substituents in the furan and the unsaturated fragments on the cycloaddition are discussed. The application of this reaction to the synthesis of alkaloids and terpenoids is exemplified.

Thermal and catalytic intramolecular [4+2]-cycloaddition in 2-alkenylfurans

Energy Technology Data Exchange (ETDEWEB)

Zubkov, Fedor I; Nikitina, Evgenia V; Varlamov, Alexey V [Department of Physical, Mathematical and Natural Sciences, Peoples' Friendship University of Russia (Russian Federation)

2005-07-31

The published data on the intramolecular Diels-Alder reaction in compounds of the 2-alkenylfuran series are generalised. The methods and conditions for the preparation of tricyclic systems are considered. The effects of the substituents in the furan and the unsaturated fragments on the cycloaddition are discussed. The application of this reaction to the synthesis of alkaloids and terpenoids is exemplified.

A simple and versatile design concept for fluorophore derivatives with intramolecular photostabilization

NARCIS (Netherlands)

van der Velde, Jasper H M; Oelerich, Jens; Huang, Jingyi; Smit, Jochem H; Aminian Jazi, Atieh; Galiani, Silvia; Kolmakov, Kirill; Guoridis, Giorgos; Eggeling, Christian; Herrmann, Andreas; Roelfes, Gerard; Cordes, Thorben

2016-01-01

Intramolecular photostabilization via triple-state quenching was recently revived as a tool to impart synthetic organic fluorophores with 'self-healing' properties. To date, utilization of such fluorophore derivatives is rare due to their elaborate multi-step synthesis. Here we present a general

Possibility of removing condensate and scattered oil from gas-condensate field during bed flooding

Energy Technology Data Exchange (ETDEWEB)

Belkina, N.A.; Yagubov, M.S.

1984-01-01

The problem is set of evaluating the possible removal from the bed of scattered oil and condensate during flooding of the bed. For this purpose, an experimental study was made of the displacement by water from the porous medium of the oil and condensate saturating it. The obtained experimental results permit evaluation of the possible removal from the gas-condensate bed of scattered oil and condensate during flooding of the bed.

Research progress of control of condensate depression for condenser

Science.gov (United States)

Liu, Ying; Liang, Run; Li, Fengyu

2017-08-01

It is introduced that significance and structure of the condensate depression control system. In accordance with controller devised procedure, we analyze and elaborate how to construct the lumped parameter and dynamic mathematical model which possesses distinct physics significance. Neural network model being called black-box model is also introduced. We analyze and contrast the control technique of condensate depression as conventional PI control, fuzzy PI control and fuzzy control. It is indicated that if the controller of condensate depression were devised inappropriate, while the steam discharged of turbine varying by a large margin, would result in the rotation rate of cooling water circulating pump accelerating at a great lick even to trigger the galloping danger which is less impressive for the units operating safely.

Universal Themes of Bose-Einstein Condensation

Science.gov (United States)

Proukakis, Nick P.; Snoke, David W.; Littlewood, Peter B.

2017-04-01

Foreword; List of contributors; Preface; Part I. Introduction: 1. Universality and Bose-Einstein condensation: perspectives on recent work D. W. Snoke, N. P. Proukakis, T. Giamarchi and P. B. Littlewood; 2. A history of Bose-Einstein condensation of atomic hydrogen T. Greytak and D. Kleppner; 3. Twenty years of atomic quantum gases: 1995-2015 W. Ketterle; 4. Introduction to polariton condensation P. B. Littlewood and A. Edelman; Part II. General Topics: Editorial notes; 5. The question of spontaneous symmetry breaking in condensates D. W. Snoke and A. J. Daley; 6. Effects of interactions on Bose-Einstein condensation R. P. Smith; 7. Formation of Bose-Einstein condensates M. J. Davis, T. M. Wright, T. Gasenzer, S. A. Gardiner and N. P. Proukakis; 8. Quenches, relaxation and pre-thermalization in an isolated quantum system T. Langen and J. Schmiedmayer; 9. Ultracold gases with intrinsic scale invariance C. Chin; 10. Berezinskii-Kosterlitz-Thouless phase of a driven-dissipative condensate N. Y. Kim, W. H. Nitsche and Y. Yamamoto; 11. Superfluidity and phase correlations of driven dissipative condensates J. Keeling, L. M. Sieberer, E. Altman, L. Chen, S. Diehl and J. Toner; 12. BEC to BCS crossover from superconductors to polaritons A. Edelman and P. B. Littlewood; Part III. Condensates in Atomic Physics: Editorial notes; 13. Probing and controlling strongly correlated quantum many-body systems using ultracold quantum gases I. Bloch; 14. Preparing and probing chern bands with cold atoms N. Goldman, N. R. Cooper and J. Dalibard; 15. Bose-Einstein condensates in artificial gauge fields L. J. LeBlanc and I. B. Spielman; 16. Second sound in ultracold atomic gases L. Pitaevskii and S. Stringari; 17. Quantum turbulence in atomic Bose-Einstein condensates N. G. Parker, A. J. Allen, C. F. Barenghi and N. P. Proukakis; 18. Spinor-dipolar aspects of Bose-Einstein condensation M. Ueda; Part IV. Condensates in Condensed Matter Physics: Editorial notes; 19. Bose

Assessment of TRACE Condensation Model Against Reflux Condensation Tests with Noncondensable Gases

Energy Technology Data Exchange (ETDEWEB)

Lee, Kyung Won; Cheong, Ae Ju; Shin, Andong; Suh, Nam Duk [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2015-05-15

The TRACE is the latest in a series of advanced, best-estimated reactor systems code developed by U.S. Nuclear Regulatory Commission for analyzing transient and steady-state neutronic-thermal-hydraulic behavior in light water reactors. This special model is expected to replace the default model in a future code release after sufficient testing has been completed. This study assesses the special condensation model of TRACE 5.0-patch4 against the counter-current flow configuration. For this purpose, the predicted results of special model are compared to the experimental and to those of default model. The KAST reflux condensation test with NC gases are used in this assessment. We assessed the special model for film condensation of TRACE 5.0-patch4 against the data of the reflux condensation test in the presence of NC gases. The special condensation model of TRACE provides a reasonable estimate of HTC with good agreement at the low inlet steam flow rate.

Assessment of TRACE Condensation Model Against Reflux Condensation Tests with Noncondensable Gases

International Nuclear Information System (INIS)

Lee, Kyung Won; Cheong, Ae Ju; Shin, Andong; Suh, Nam Duk

2015-01-01

The TRACE is the latest in a series of advanced, best-estimated reactor systems code developed by U.S. Nuclear Regulatory Commission for analyzing transient and steady-state neutronic-thermal-hydraulic behavior in light water reactors. This special model is expected to replace the default model in a future code release after sufficient testing has been completed. This study assesses the special condensation model of TRACE 5.0-patch4 against the counter-current flow configuration. For this purpose, the predicted results of special model are compared to the experimental and to those of default model. The KAST reflux condensation test with NC gases are used in this assessment. We assessed the special model for film condensation of TRACE 5.0-patch4 against the data of the reflux condensation test in the presence of NC gases. The special condensation model of TRACE provides a reasonable estimate of HTC with good agreement at the low inlet steam flow rate

Implementation of non-condensable gases condensation suppression model into the WCOBRA/TRAC-TF2 LOCA safety evaluation code

Energy Technology Data Exchange (ETDEWEB)

Liao, J.; Cao, L.; Ohkawa, K.; Frepoli, C. [LOCA Integrated Services I, Westinghouse Electric Company, 1000 Westinghouse Drive, Cranberry Township, PA 16066 (United States)

2012-07-01

The non-condensable gases condensation suppression model is important for a realistic LOCA safety analysis code. A condensation suppression model for direct contact condensation was previously developed by Westinghouse using first principles. The model is believed to be an accurate description of the direct contact condensation process in the presence of non-condensable gases. The Westinghouse condensation suppression model is further revised by applying a more physical model. The revised condensation suppression model is thus implemented into the WCOBRA/TRAC-TF2 LOCA safety evaluation code for both 3-D module (COBRA-TF) and 1-D module (TRAC-PF1). Parametric study using the revised Westinghouse condensation suppression model is conducted. Additionally, the performance of non-condensable gases condensation suppression model is examined in the ACHILLES (ISP-25) separate effects test and LOFT L2-5 (ISP-13) integral effects test. (authors)

Antimalarial peroxides: the first intramolecular 1,2,4,5-tetraoxane

Directory of Open Access Journals (Sweden)

BOGDAN A. SOLAJA

2002-07-01

Full Text Available An intramolecular steroidal 1,2,4,5-tetraoxane has been synthesised in six steps starting from methyl 3-oxo-7a,12a-diacetoxy-5b-cholan-24-oate. The synthesised 1,2,4,5-tetraoxane has moderate in vitro antimalarial activity against P. falciparum strains (IC50 (D6 = 0.35 mg/mL; IC50 (W2 = 0.29 mg/mL.

Intramolecular ketenimine-ketenimine [2 + 2] and [4 + 2] cycloadditions.

Science.gov (United States)

Alajarín, Mateo; Bonillo, Baltasar; Sanchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia

2007-07-20

Bis(ketenimines), in which the two heterocumulenic functions are placed in close proximity on a carbon skeleton to allow their mutual interaction, show a rich and not easily predictable chemistry. Intramolecular [2 + 2] or [4 + 2] cycloadditions are, respectively, observed when both ketenimine functions are supported on either ortho-benzylic or 2,2'-biphenylenic scaffolds. In addition, nitrogen-to-carbon [1,3] and [1,5] shifts of arylmethyl groups in N-arylmethyl-C,C-diphenyl ketenimines are also disclosed.

Effect of flow velocity on the process of air-steam condensation in a vertical tube condenser

Science.gov (United States)

Havlík, Jan; Dlouhý, Tomáš

2018-06-01

This article describes the influence of flow velocity on the condensation process in a vertical tube. For the case of condensation in a vertical tube condenser, both the pure steam condensation process and the air-steam mixture condensation process were theoretically and experimentally analyzed. The influence of steam flow velocity on the value of the heat transfer coefficient during the condensation process was evaluated. For the condensation of pure steam, the influence of flow velocity on the value of the heat transfer coefficient begins to be seen at higher speeds, conversely, this effect is negligible at low values of steam velocity. On the other hand, for the air-steam mixture condensation, the influence of flow velocity must always be taken into account. The flow velocity affects the water vapor diffusion process through non-condensing air. The presence of air significantly reduces the value of the heat transfer coefficient. This drop in the heat transfer coefficient is significant at low velocities; on the contrary, the decrease is relatively small at high values of the velocity.

Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

Science.gov (United States)

Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro

2017-11-02

In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.

Condensation: the new deal; Condensation: la nouvelle donne

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-06-01

The principle of condensation boilers is based on the recovery of the latent heat of the steam generated by the combustion of natural gas. This technology was introduced in France at the end of the 80's but failed in its promise because of the complexity of the equipments available at that time. Today, constructors' offer is more mature and reliable and the context has changed. This technology can conciliate three goals: a mastery of energy consumptions, the comfort of the user and the respect of environment. This meeting organized by the research center of Gaz de France (Cegibat), was a good opportunity to makes a status of the market of individual condensation systems in France and in Europe, to present the situation of this technology today and the 10 golden rules for the fitting and maintenance of individual condensation boilers, and to present some technical references, examples and results of today's offer. (J.S.)

Effect of intramolecular hydrogen bonding and electron donation on substituted anthrasemiquinone characteristics

International Nuclear Information System (INIS)

Pal, H.; Mukherjee, T.

1994-01-01

The acid-base and redox characteristics of the semiquinones of a number of hydroxy and amino-substituted anthraquinones have been investigated. Results are explained on the basis of electron-donating properties and intramolecular hydrogen bond forming capabilities of the substituents. (author). 4 refs., 1 tab., 1 fig

An Intramolecular Heck reaction that Prefers a 5-endo- to a 6-exo-trig Cyclization Pathway

DEFF Research Database (Denmark)

Vital, Paulo; Norrby, Per-Ola; Tanner, David Ackland

2006-01-01

A regioselective aromatic Claisen rearrangement was used to prepare 17a, the precursor of triflate 17e. The intramolecular Heck reaction of 17e is promoted only by bidentate phosphine ligands, giving exclusively and in excellent yield 20, the product of a 5-endo-trig cyclization, despite the poss......A regioselective aromatic Claisen rearrangement was used to prepare 17a, the precursor of triflate 17e. The intramolecular Heck reaction of 17e is promoted only by bidentate phosphine ligands, giving exclusively and in excellent yield 20, the product of a 5-endo-trig cyclization, despite...

Does the Intramolecular Hydrogen Bond Affect the Spectroscopic Properties of Bicyclic Diazole Heterocycles?

Directory of Open Access Journals (Sweden)

Paweł Misiak

2018-01-01

Full Text Available The formation of an intramolecular hydrogen bond in pyrrolo[1,2-a]pyrazin-1(2H-one bicyclic diazoles was analyzed, and the influence of N-substitution on HB formation is discussed in this study. B3LYP/aug-cc-pVDZ calculations were performed for the diazole, and the quantum theory of atoms in molecules (QTAIM approach as well as the natural bond orbital (NBO method was applied to analyze the strength of this interaction. It was found that the intramolecular hydrogen bond that closes an extra ring between the C=O proton acceptor group and the CH proton donor, that is, C=O⋯H–C, influences the spectroscopic properties of pyrrolopyrazine bicyclic diazoles, particularly the carbonyl frequencies. The influence of N-substitution on the aromaticity of heterocyclic rings is also discussed in this report.

Contrasting intermolecular and intramolecular exciplex formation of a 1,4-dicyano-2-methylnaphthalene-N,N-dimethyl-p-toluidine dyad.

Science.gov (United States)

Imoto, Mitsutaka; Ikeda, Hiroshi; Fujii, Takayuki; Taniguchi, Hisaji; Tamaki, Akihiro; Takeda, Motonori; Mizuno, Kazuhiko

2010-05-07

An intramolecular exciplex is formed upon excitation of the cyclohexane solution of the 1,4-dicyano-2-methylnaphthalene-N,N-dimethyl-p-toluidine dyad, but little if any intramolecular CT complex exists in the ground state of this substance in solution. In contrast, in the crystalline state, the dyad forms an intermolecular mixed-stack CT complex in the ground state and an intermolecular exciplex when it is photoexcited.

Born-Kothari Condensation for Fermions

Directory of Open Access Journals (Sweden)

Arnab Ghosh

2017-09-01

Full Text Available In the spirit of Bose–Einstein condensation, we present a detailed account of the statistical description of the condensation phenomena for a Fermi–Dirac gas following the works of Born and Kothari. For bosons, while the condensed phase below a certain critical temperature, permits macroscopic occupation at the lowest energy single particle state, for fermions, due to Pauli exclusion principle, the condensed phase occurs only in the form of a single occupancy dense modes at the highest energy state. In spite of these rudimentary differences, our recent findings [Ghosh and Ray, 2017] identify the foregoing phenomenon as condensation-like coherence among fermions in an analogous way to Bose–Einstein condensate which is collectively described by a coherent matter wave. To reach the above conclusion, we employ the close relationship between the statistical methods of bosonic and fermionic fields pioneered by Cahill and Glauber. In addition to our previous results, we described in this mini-review that the highest momentum (energy for individual fermions, prerequisite for the condensation process, can be specified in terms of the natural length and energy scales of the problem. The existence of such condensed phases, which are of obvious significance in the context of elementary particles, have also been scrutinized.

Condensation in Nanoporous Packed Beds.

Science.gov (United States)

Ally, Javed; Molla, Shahnawaz; Mostowfi, Farshid

2016-05-10

In materials with tiny, nanometer-scale pores, liquid condensation is shifted from the bulk saturation pressure observed at larger scales. This effect is called capillary condensation and can block pores, which has major consequences in hydrocarbon production, as well as in fuel cells, catalysis, and powder adhesion. In this study, high pressure nanofluidic condensation studies are performed using propane and carbon dioxide in a colloidal crystal packed bed. Direct visualization allows the extent of condensation to be observed, as well as inference of the pore geometry from Bragg diffraction. We show experimentally that capillary condensation depends on pore geometry and wettability because these factors determine the shape of the menisci that coalesce when pore filling occurs, contrary to the typical assumption that all pore structures can be modeled as cylindrical and perfectly wetting. We also observe capillary condensation at higher pressures than has been done previously, which is important because many applications involving this phenomenon occur well above atmospheric pressure, and there is little, if any, experimental validation of capillary condensation at such pressures, particularly with direct visualization.

Comparison of Heat Transfer Coefficients of Silver Coated and Chromium Coated Copper Tubes of Condenser in Dropwise Condensation

OpenAIRE

Er. Shivesh Kumar; Dr. Amit Kumar

2016-01-01

Since centuries steam is being used in power generating system. The steam leaving the power unit is reconverted into water in a condenser designed to transfer heat from the steam to the cooling water as rapidly and as efficiently as possible. The efficiency of condenser depends on rate of condensation and mode of condensation of steam in the condenser. The increase in efficiency of the condenser enhances the heat transfer co-efficient which in turn results in economic design of condenser and ...

Identification of olivetolic acid cyclase from Cannabis sativa reveals a unique catalytic route to plant polyketides.

Science.gov (United States)

Gagne, Steve J; Stout, Jake M; Liu, Enwu; Boubakir, Zakia; Clark, Shawn M; Page, Jonathan E

2012-07-31

Δ(9)-Tetrahydrocannabinol (THC) and other cannabinoids are responsible for the psychoactive and medicinal properties of Cannabis sativa L. (marijuana). The first intermediate in the cannabinoid biosynthetic pathway is proposed to be olivetolic acid (OA), an alkylresorcinolic acid that forms the polyketide nucleus of the cannabinoids. OA has been postulated to be synthesized by a type III polyketide synthase (PKS) enzyme, but so far type III PKSs from cannabis have been shown to produce catalytic byproducts instead of OA. We analyzed the transcriptome of glandular trichomes from female cannabis flowers, which are the primary site of cannabinoid biosynthesis, and searched for polyketide cyclase-like enzymes that could assist in OA cyclization. Here, we show that a type III PKS (tetraketide synthase) from cannabis trichomes requires the presence of a polyketide cyclase enzyme, olivetolic acid cyclase (OAC), which catalyzes a C2-C7 intramolecular aldol condensation with carboxylate retention to form OA. OAC is a dimeric α+β barrel (DABB) protein that is structurally similar to polyketide cyclases from Streptomyces species. OAC transcript is present at high levels in glandular trichomes, an expression profile that parallels other cannabinoid pathway enzymes. Our identification of OAC both clarifies the cannabinoid pathway and demonstrates unexpected evolutionary parallels between polyketide biosynthesis in plants and bacteria. In addition, the widespread occurrence of DABB proteins in plants suggests that polyketide cyclases may play an overlooked role in generating plant chemical diversity.

Bio-oil fractionation and condensation

Science.gov (United States)

Brown, Robert C; Jones, Samuel T; Pollard, Anthony

2013-07-02

A method of fractionating bio-oil vapors which involves providing bio-oil vapors comprising bio-oil constituents is described. The bio-oil vapors are cooled in a first stage which comprises a condenser having passages for the bio-oil separated by a heat conducting wall from passages for a coolant. The coolant in the condenser of the first stage is maintained at a substantially constant temperature, set at a temperature in the range of 75 to 100.degree. C., to condense a first liquid fraction of liquefied bio-oil constituents in the condenser of the first stage. The first liquid fraction of liquified bio-oil constituents from the condenser in the first stage is collected. Also described are steps for subsequently recovering further liquid fractions of liquefied bio-oil constituents. Particular compositions of bio-oil condensation products are also described.

Condenser performance monitoring and cleaning

International Nuclear Information System (INIS)

Walden, J.V.

1998-01-01

The main condenser at Ginna Station was retubed from admiralty brass to 316 stainless steel. A condenser performance monitoring spreadsheet was developed using EPRI guidelines after fouling was discovered. PEPSE computer models were used to determine the power loss and confirm the spreadsheet results. Cleaning of the condenser was performed using plastic scrubbers. Condenser performance improved dramatically following the cleaning. PEPSE, condenser spreadsheet performance, and actual observed plant data correlated well together. The fouling mechanism was determined to be a common lake bacteria and fungus growth which was combined with silt. Chlorination of the circulating water system at the allowable limits is keeping the biofouling under control

Chromosome condensation and segmentation

International Nuclear Information System (INIS)

Viegas-Pequignot, E.M.

1981-01-01

Some aspects of chromosome condensation in mammalians -humans especially- were studied by means of cytogenetic techniques of chromosome banding. Two further approaches were adopted: a study of normal condensation as early as prophase, and an analysis of chromosome segmentation induced by physical (temperature and γ-rays) or chemical agents (base analogues, antibiotics, ...) in order to show out the factors liable to affect condensation. Here 'segmentation' means an abnormal chromosome condensation appearing systematically and being reproducible. The study of normal condensation was made possible by the development of a technique based on cell synchronization by thymidine and giving prophasic and prometaphasic cells. Besides, the possibility of inducing R-banding segmentations on these cells by BrdU (5-bromodeoxyuridine) allowed a much finer analysis of karyotypes. Another technique was developed using 5-ACR (5-azacytidine), it allowed to induce a segmentation similar to the one obtained using BrdU and identify heterochromatic areas rich in G-C bases pairs [fr

Synthesis of benzannelated sultams by intramolecular Pd-catalyzed arylation of tertiary sulfonamides

Directory of Open Access Journals (Sweden)

Valentin A. Rassadin

2017-09-01

Full Text Available A new and efficient approach to five- and six-membered benzannelated sultams by intramolecular C-arylation of tertiary 1-(methoxycarbonylmethanesulfonamides under palladium catalysis is described. In case of the α-toluenesulfonamide derivative, an unexpected formation of a 2,3-diarylindole was observed under the same conditions.

Characteristic aspects of pion-condensed phases

International Nuclear Information System (INIS)

Takatsuka, Tatsuyuki; Tamagaki, Ryozo; Tatsumi, Toshitaka.

1993-01-01

Characteristic aspects of pion-condensed phases are described in a simple model, for the system involving only nucleons and pions which interact through the π-N P-wave interaction. We consider one typical version in each of three kinds of pion condensation; the one of neutral pions (π 0 ), the one of charged pions (π C ) and the combined one in which both the π 0 and π C condensations are coexistent. Emphasis is put on the description to clarify the novel structures of the nucleon system which are realized in the pion-condensed phases. At first, it is shown that the π 0 condensation is equivalent to the particular nucleonic phase realized by a structure change of the nucleon system, where the attractive first-order effect of the one-pion-exchange (OPE) tensor force is brought about coherently. The aspects of this phase are characterized by the layered structure with a specific spin-isospin order with one-dimensional localization (named the ALS structure in short), which provides the source function for the condensed π 0 field. We utilize both descriptions with use of fields and potentials for the π 0 condensation. Next, the π C condensation realized in neutron-rich matter is described by adopting a version of the traveling condensed wave. In this phase, the nucleonic structure becomes the Fermi gas consisting of quasi-neutrons described by a superposition of neutron and proton. In this sense the structure change of the nucleon system for the π C condensation is moderate, and the field description is suitable. Finally, we describe a coexistent pion condensation, in which both the π 0 and π C condensations coexist without interference in such a manner that the π C condensation develops in the ALS structure. The model adopted here provides us with the characteristic aspects of the pion-condensed phases persisting in the realistic situation, where other ingredients affecting the pion condensation are taken into account. (author)

Systematic text condensation

DEFF Research Database (Denmark)

Malterud, Kirsti

2012-01-01

To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies.......To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies....

Steam generators, turbines, and condensers. Volume six

International Nuclear Information System (INIS)

Anon.

1986-01-01

Volume six covers steam generators (How steam is generated, steam generation in a PWR, vertical U-tube steam generators, once-through steam generators, how much steam do steam generators make?), turbines (basic turbine principles, impulse turbines, reaction turbines, turbine stages, turbine arrangements, turbine steam flow, steam admission to turbines, turbine seals and supports, turbine oil system, generators), and condensers (need for condensers, basic condenser principles, condenser arrangements, heat transfer in condensers, air removal from condensers, circulating water system, heat loss to the circulating water system, factors affecting condenser performance, condenser auxiliaries)

A CFD study of wave influence on film steam condensation in the presence of non-condensable gas

Energy Technology Data Exchange (ETDEWEB)

Wang, Xianmao, E-mail: xm-wang11@mails.tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Chang, Huajian, E-mail: changhj@tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Corradini, Michael, E-mail: corradini@engr.wisc.edu [Department of Engineering Physics, University of Wisconsin-Madison, 1500 Engineering Drive, Madison, WI 53706 (United States)

2016-08-15

Highlights: • A condensation model is incorporated in the ANSYS FLUENT. • Different turbulence models are evaluated for flows over wavy surfaces. • Wavy surfaces with and without moving velocities are used to model the wave. • Various wavy surfaces with different wave heights and wavelengths are selected. • Wave influence on film steam condensation is investigated. - Abstract: Steam condensation plays an important role in removing heat from the containment of a nuclear plant during postulated accidents. However, due to the presence of non-condensable gases such as air and hydrogen in the containment, the condensation rate can decrease dramatically. Under certain conditions, the condensate film on the cold containment walls can affect the overall heat transfer rate. The wavy interface of the condensate film is a factor and is usually believed to enhance the condensation rate, since the waves can both increase the interfacial area and disturb the non-condensable gas boundary layer. However, it is not clear how to properly account for this factor and what is its quantitative influence in experiments. In this work, a CFD approach is applied to study the wave effects on film condensation in the presence of non-condensable gas. Wavy surfaces with and without moving velocities are used to replace the wavy interface of the falling film. A condensation model is incorporated in the ANSYS FLUENT simulation and a realizable k–ε turbulence model is applied. Various wavy surfaces with different wave heights and wavelengths are selected to conduct numerical experiments with a wide range of gas velocities. The results show that the wave structure can enhance condensation rate up to ten percent mainly due to the alteration of local flow structures in the gas phase. The increments of the condensation rate due to the wavy interface can vary with different gas velocities. The investigation shows that a multiplication factor accounts for the wave effects on film

Intramolecular Hydrogen Bonding in (2-Hydroxybenzoyl)benzoylmethane Enol

DEFF Research Database (Denmark)

Hansen, Bjarke Knud Vilster; Winther, Morten; Spanget-Larsen, Jens

2014-01-01

, and the dienol form of 1,3-dibenzoylacetone. But in these examples the two H-bonds are equivalent, while in the case of OHDBM they are chemically different, involving one enolic and one phenolic hydroxy group. OHDBM is thus an interesting model compound with two competing H-bonds to the same carbonyl group......In the stable enol tautomer of the title compound (OHDBM), one carbonyl group is flanked by two β-hydroxy groups, giving rise to bifold intramolecular H-bonding. A similar situation is found in other β,β'-dihydroxy carbonyl compounds like chrysazin, anthralin, 2,2'-dihydroxybenzophenone...

Fast and versatile microwave-assisted intramolecular Heck reaction in peptide macrocyclization using microwave energy.

Science.gov (United States)

Byk, Gerardo; Cohen-Ohana, Mirit; Raichman, Daniel

2006-01-01

We have revisited the intramolecular Heck reaction and investigated the microwave-assisted macrocyclization on preformed peptides using a model series of ring-varying peptides acryloyl-Gly-[Gly](n)-Phe(4-I)NHR; n = 0-4. The method was applied to both solution and solid supported cyclizations. We demonstrate that the intramolecular Heck reaction can be performed in peptides both in solution and solid support using a modified domestic microwave within 1 to 30 minutes in DMF under reflux with moderate yields ranging from 15 to 25% for a scale between 2-45 mg of linear precursors. The approach was applied to the synthesis of a constrained biologically relevant peptidomimetic bearing an Arg-Gly-Asp (RGD) sequence. These results make the microwave-assisted Heck reaction an attractive renovated approach for peptidomimetics. Copyright 2006 Wiley Periodicals, Inc.

(2E-3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one

Directory of Open Access Journals (Sweden)

Salman A. Khan

2010-04-01

Full Text Available The title compound, (2E-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one (3 was synthesized in high yield by aldol condensation of 3-acetyl-2,5-dimethylthiophene and 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde in ethanolic NaOH at room temperature. Its structure was fully characterized by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

Synthesis of high surface area nanomaterials and their application in catalysis

Energy Technology Data Exchange (ETDEWEB)

Chaudhary, Umesh [Iowa State Univ., Ames, IA (United States)

2016-05-01

The dissertation is organized in 4 chapters. Chapter 1 highlights the motivations behind our research along with a general introduction on ceria and carbon catalysts. Chapter 2 reports the investigations on Copper-Ceria catalysts for the selective hydrogenation of fatty acids into fatty alcohols. Chapter 3 discusses the development of nitrogen containing mesoporous carbon. The chapter also reports the catalytic investigations for aldol condensation and nitrobenzene hydrogenation reactions. Finally, Chapter 4 is a general conclusion summarizing this dissertation.

Organic chemistry experiment

International Nuclear Information System (INIS)

Mun, Seok Sik

2005-02-01

This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

TD-DFT investigation of the potential energy surface for Excited-State Intramolecular Proton Transfer (ESIPT) reaction of 10-hydroxybenzo[h]quinoline: Topological (AIM) and population (NBO) analysis of the intramolecular hydrogen bonding interaction

International Nuclear Information System (INIS)

Paul, Bijan Kumar; Guchhait, Nikhil

2011-01-01

Here, we report a Density Functional Theoretical (DFT) study on the photophysics of a potent Excited-State Intramolecular Proton Transfer (ESIPT) molecular system, viz., 10-hydroxybenzo[h]quinoline (HBQ). Particular emphasis has been rendered on the assessment of the proton transfer reaction in HBQ in the ground and excited-states through elucidation and a careful perusal of the potential energy surfaces (PES). The non-viability of Ground-State Intramolecular Proton Transfer (GSIPT) process is dictated by a high-energy barrier coupled with no energy minimum for the proton transferred (K-form) form at the ground-state (S 0 ) PES. Remarkable reduction of the barrier along with thermodynamic stability inversion between the enol (E-form) and the keto forms (K-form) of HBQ upon photoexcitation from S 0 to the S 1 -state advocate for the operation of ESIPT process. These findings have been cross-validated on the lexicon of analysis of optimized geometry parameters, Mulliken's charge distribution on the heavy atoms, and molecular orbitals (MO) of the E- and the K-forms of HBQ. Our computational results also corroborate to experimental observations. From the modulations in optimized geometry parameters in course of the PT process a critical assessment has been endeavoured to delve into the movement of the proton during the process. Additional stress has been placed on the analysis of the intramolecular hydrogen bonding (IMHB) interaction in HBQ. The IMHB interaction has been explored by calculation of electron density ρ(r) and the Laplacian ∇ 2 ρ(r) at the bond critical point (BCP) using Atoms-In-Molecule (AIM) method and by calculation of interaction between σ* of OH with the lone pair of the nitrogen atom using Natural Bond Orbital (NBO) analysis. - Highlights: → Theoretical modelling of the photophysics of an ESIPT probe 10-hydroxybenzo[h]quinoline (HBQ). → Calculation of intramolecular hydrogen bond (IMHB) energy. → Role of hyperconjugative charge transfer

Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

DEFF Research Database (Denmark)

Schrøder, Sidsel Dahl

and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

Assessment of horizontal in-tube condensation models using MARS code. Part I: Stratified flow condensation

Energy Technology Data Exchange (ETDEWEB)

Jeon, Seong-Su [Department of Engineering Project, FNC Technology Co., Ltd., Bldg. 135-308, Seoul National University, Gwanak-gu, Seoul 151-744 (Korea, Republic of); Department of Nuclear Engineering, Seoul National University, Gwanak-gu, Seoul 151-744 (Korea, Republic of); Hong, Soon-Joon, E-mail: sjhong90@fnctech.com [Department of Engineering Project, FNC Technology Co., Ltd., Bldg. 135-308, Seoul National University, Gwanak-gu, Seoul 151-744 (Korea, Republic of); Park, Ju-Yeop; Seul, Kwang-Won [Korea Institute of Nuclear Safety, 19 Kuseong-dong, Yuseong-gu, Daejon (Korea, Republic of); Park, Goon-Cherl [Department of Nuclear Engineering, Seoul National University, Gwanak-gu, Seoul 151-744 (Korea, Republic of)

2013-01-15

Highlights: Black-Right-Pointing-Pointer This study collected 11 horizontal in-tube condensation models for stratified flow. Black-Right-Pointing-Pointer This study assessed the predictive capability of the models for steam condensation. Black-Right-Pointing-Pointer Purdue-PCCS experiments were simulated using MARS code incorporated with models. Black-Right-Pointing-Pointer Cavallini et al. (2006) model predicts well the data for stratified flow condition. Black-Right-Pointing-Pointer Results of this study can be used to improve condensation model in RELAP5 or MARS. - Abstract: The accurate prediction of the horizontal in-tube condensation heat transfer is a primary concern in the optimum design and safety analysis of horizontal heat exchangers of passive safety systems such as the passive containment cooling system (PCCS), the emergency condenser system (ECS) and the passive auxiliary feed-water system (PAFS). It is essential to analyze and assess the predictive capability of the previous horizontal in-tube condensation models for each flow regime using various experimental data. This study assessed totally 11 condensation models for the stratified flow, one of the main flow regime encountered in the horizontal condenser, with the heat transfer data from the Purdue-PCCS experiment using the multi-dimensional analysis of reactor safety (MARS) code. From the assessments, it was found that the models by Akers and Rosson, Chato, Tandon et al., Sweeney and Chato, and Cavallini et al. (2002) under-predicted the data in the main condensation heat transfer region, on the contrary to this, the models by Rosson and Meyers, Jaster and Kosky, Fujii, Dobson and Chato, and Thome et al. similarly- or over-predicted the data, and especially, Cavallini et al. (2006) model shows good predictive capability for all test conditions. The results of this study can be used importantly to improve the condensation models in thermal hydraulic code, such as RELAP5 or MARS code.

Iron(II)-catalyzed intramolecular aminohydroxylation of olefins with functionalized hydroxylamines.

Science.gov (United States)

Liu, Guan-Sai; Zhang, Yong-Qiang; Yuan, Yong-An; Xu, Hao

2013-03-06

A diastereoselective aminohydroxylation of olefins with a functionalized hydroxylamine is catalyzed by new iron(II) complexes. This efficient intramolecular process readily affords synthetically useful amino alcohols with excellent selectivity (dr up to > 20:1). Asymmetric catalysis with chiral iron(II) complexes and preliminary mechanistic studies reveal an iron nitrenoid is a possible intermediate that can undergo either aminohydroxylation or aziridination, and the selectivity can be controlled by careful selection of counteranion/ligand combinations.

Off gas condenser performance modelling

International Nuclear Information System (INIS)

Cains, P.W.; Hills, K.M.; Waring, S.; Pratchett, A.G.

1989-12-01

A suite of three programmes has been developed to model the ruthenium decontamination performance of a vitrification plant off-gas condenser. The stages of the model are: condensation of water vapour, NO x absorption in the condensate, RuO 4 absorption in the condensate. Juxtaposition of these stages gives a package that may be run on an IBM-compatible desktop PC. Experimental work indicates that the criterion [HNO 2 ] > 10 [RuO 4 ] used to determine RuO 4 destruction in solution is probably realistic under condenser conditions. Vapour pressures of RuO 4 over aqueous solutions at 70 o -90 o C are slightly lower than the values given by extrapolating the ln K p vs. T -1 relation derived from lower temperature data. (author)

Condensate from a two-stage gasifier

DEFF Research Database (Denmark)

Bentzen, Jens Dall; Henriksen, Ulrik Birk; Hindsgaul, Claus

2000-01-01

Condensate, produced when gas from downdraft biomass gasifier is cooled, contains organic compounds that inhibit nitrifiers. Treatment with activated carbon removes most of the organics and makes the condensate far less inhibitory. The condensate from an optimised two-stage gasifier is so clean...... that the organic compounds and the inhibition effect are very low even before treatment with activated carbon. The moderate inhibition effect relates to a high content of ammonia in the condensate. The nitrifiers become tolerant to the condensate after a few weeks of exposure. The level of organic compounds...... and the level of inhibition are so low that condensate from the optimised two-stage gasifier can be led to the public sewer....

Assessment of RELAP5/MOD3.3 condensation models for the tube bundle condensation in the PCCS of ESBWR

International Nuclear Information System (INIS)

Zhou, W.; Wolf, B.; Revankar, S.T.

2011-01-01

The passive containment condenser system (PCCS) in an ESBWR reactor consists of vertical tube bundle submerged in a large pool of water. The condensation model for the PCCS in a thermalhydraulics code RELAP5/MOD3.3 consists of the default Nusselt model and an alternate condensation model from UCB condensation correlation. An assessment of the PCCS condensation model in RELAP5/MOD3.3 was carried out using experiments conducted on a single tube and tube bundle PCCS tests at Purdue University. The experimental conditions were simulated with the default and the alternate condensation models in the REALP5/MOD3.3 beta version of the code. The default model and the UCB model (alternate model) give quite different results on condensation heat transfer for the PCCS. The default model predicts complete condensation well whereas the UCB model predicts the through flow condensation well. Based on this study it was found that none of the models in REALP5 can predict complete condensation as well as the through flow condensation well. (author)

Assessment of RELAP5/MOD3.3 condensation models for the tube bundle condensation in the PCCS of ESBWR

Energy Technology Data Exchange (ETDEWEB)

Zhou, W., E-mail: wenzzhou@cityu.edu.hk [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Hong Kong (China); Wolf, B. [Purdue University, West Lafayette, IN 47907 (United States); Revankar, S. [Purdue University, West Lafayette, IN 47907 (United States); POSTECH, Pohang (Korea, Republic of)

2013-11-15

The passive containment condenser system (PCCS) in an ESBWR reactor consists of vertical tube bundle submerged in a large pool of water. The condensation model for the PCCS in a thermalhydraulics code RELAP5/MOD3.3 consists of the default Nusselt model and an alternate condensation model from UCB condensation correlation. An assessment of the PCCS condensation model in RELAP5/MOD3.3 was carried out using experiments conducted on a single tube and tube bundle PCCS tests at Purdue University. The experimental conditions were simulated with the default and the alternate condensation models in the REALP5/MOD3.3 beta version of the code. The default model and the UCB model (alternate model) give quite different results on condensation heat transfer for the PCCS. The default model predicts complete condensation well whereas the UCB model predicts the through flow condensation well. Based on this study it was found that none of the models in REALP5 can predict complete condensation as well as the through flow condensation well.

Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction

International Nuclear Information System (INIS)

Yan, Shihai; Ryu, Do Hyun; Lee, Jin Yong

2010-01-01

The stereoselectivity of the intramolecular Diels-Alder reactions of 1 and its derivatives were investigated by ab initio calculations. The stereoselectivity mainly originates from the steric repulsion and the orbital interactions. The additional s-cis and s-trans conformations by introducing the carbonyl group at the neighbor of diene or dienophile may change the stereoselectivity, hence this kind of substitution can be utilized for stereoselective asymmetric synthesis

Organometallic copper I, II or III species in an intramolecular dechlorination reaction

KAUST Repository

Poater, Albert

2013-03-15

The present paper gives insight into an intramolecular dechlorination reaction involving Copper (I) and an ArCH2Cl moiety. The discussion of the presence of a CuIII organometallic intermediate becomes a challenge, and because of the lack of clear experimental detection of this proposed intermediate, and due to the computational evidence that it is less stable than other isomeric species, it can be ruled out for the complex studied here. Our calculations are completely consistent with the key hypothesis of Karlin et al. that TMPA-CuI is the substrate of intramolecular dechlorination reactions as well as the source to generate organometallic species. However the organometallic character of some intermediates has been refused because computationally these species are less stable than other isomers. Thus this study constitutes an additional piece towards the full understanding of a class of reaction of biological relevance. Further, the lack of high energy barriers and deep energy wells along the reaction pathway explains the experimental difficulties to trap other intermediates. © Springer-Verlag Berlin Heidelberg 2013.

The Effect of Capillary Number on a Condensate Blockage in Gas Condensate Reservoirs

OpenAIRE

Saifon DAUNGKAEW; Alain C GRINGARTEN

2004-01-01

In the petroleum industry, gas condensate reservoirs are becoming more common as exploration targets. However, there is a lack of knowledge of the reservoir behaviour mainly due to its complexity in the near wellbore region, where two phases, i.e. reservoir gas and condensate coexist when the wellbore pressure drops below the dew point pressure. The condensation process causes a reduction of the gas productivity (1). It has been reported in the literature that there is an increasing gas mobil...

DESAIN DAN SINTESIS SENYAWA ACES (ANALOG CURCUMIN SERIES DENGAN METODE SOLID PHASE REACTION SEBAGAI SENYAWA ANTIKANKER POTEN DENGAN MEKANISME MENGHAMBAT PROTEIN NF-kB

Directory of Open Access Journals (Sweden)

Monica Sabrina Widiapranolo

2016-04-01

Full Text Available Abstract: Analog of curcumin in forms of enone and dienone aromatic is known for their activity as an NF-κB inhibitor. In this study, will be synthesize 2-(4'-N, N-dimethylamino benzilidine cyclohexane-1,3-dione as an analog that predicted has an activity as an NF-κB inhibitor. This research was conducted based on the crossed aldol condensation reaction by reacting 3 mmole pN,N-dimethylamino benzaldehide and 6 mmole cyclohexane-1,3-dione with hydrochloric acid as the catalyst using solid phase reaction method. Based on computational analysis, 2-(4'-N,Ndimethylamino benzilidine cyclohexane-1,3-dione showed a better interaction with NF-κB protein with PLANTSPLP score was -69,7895. The outcome of the reaction was yellow colored powder, no odor and soluble in hydrochloric acid 3N. The yield value was 78.8%. Liquid chromatography showed 100% purity. The melting point range was 237.5-240.3°C. The results of structure elucidation by 1H-NMR, infrared and mass spectroscopy tests indicated the compound was 2-(4-(dimetilaminobenzilidena-4-(3-oksosiklohex-1-enil sikloheksana-1,3-dion. Key words: 2-(4'-N, N-dimethylamino benzilidine cyclohexane-1,3-dione, crossed aldol condensation, solid phase reaction.

Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

Directory of Open Access Journals (Sweden)

Nazudin

2012-08-01

Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

Ghost condensate and generalized second law

International Nuclear Information System (INIS)

Mukohyama, Shinji

2009-01-01

Dubovsky and Sibiryakov recently proposed a scenario in which particles of different species propagate with different speeds due to their direct couplings to ghost condensate. It was argued that this extended version of ghost condensate allows a gedanken experiment leading to violation of the generalized second law. However, in the original ghost condensate scenario, difference in propagation speeds is suppressed by M 2 /M Pl 2 , where M is the order parameter of spontaneous Lorentz breaking and M Pl is the Planck scale. In this case the energy transfer necessary for the gedanken experiment is so slow that the timescale of decrease of entropy, if any, is always longer than the Jeans timescale of ghost condensate. Hence the generalized second law is not violated by the gedanken experiment in the original ghost condensate scenario. This conclusion trivially extends to gauged ghost condensation by taking into account accretion of gauged ghost condensate into a black hole.

Black holes in the ghost condensate

International Nuclear Information System (INIS)

Mukohyama, Shinji

2005-01-01

We investigate how the ghost condensate reacts to black holes immersed in it. A ghost condensate defines a hypersurface-orthogonal congruence of timelike curves, each of which has the tangent vector u μ =-g μν ∂ ν φ. It is argued that the ghost condensate in this picture approximately corresponds to a congruence of geodesics. In other words, the ghost condensate accretes into a black hole just like a pressureless dust. Correspondingly, if the energy density of the ghost condensate at large distance is set to an extremely small value by cosmic expansion then the late-time accretion rate of the ghost condensate should be negligible. The accretion rate remains very small even if effects of higher derivative terms are taken into account, provided that the black hole is sufficiently large. It is also discussed how to reconcile the black-hole accretion with the possibility that the ghost condensate might behave like dark matter

Unique Intramolecular Electronic Communications in Mono-ferrocenylpyrimidine Derivatives: Correlation between Redox Properties and Structural Nature

International Nuclear Information System (INIS)

Xiang, Debo; Noel, Jerome; Shao, Huibo; Dupas, Georges; Merbouh, Nabyl; Yu, Hua-Zhong

2015-01-01

Highlights: • Unique intramolecular electronic communications (electron withdrawing and π-bond delocalization effects) exist in the mono-ferrocenylpyrimidine derivatives. • The redox potential shift correlates the pyrimidine ring torsion angle with the extent of electron delocalization. • The correlation between redox properties and structural nature in mono-ferrocenylpyrimidine derivatives is evident. - Abstract: The correlation between redox properties and structural nature in a complete set of mono-ferrocenylpyrimidine derivatives (2-ferrocenylpyrimidine, 2-FcPy; 4-ferrocenylpyrimidine, 4-FcPy; 5-ferrocenylpyrimidine, 5-FcPy) was evaluated by investigating the intramolecular electronic communications. Both conventional electrochemical measurements in organic solvents and thin-film voltammetric studies of these compounds were carried out. It was discovered that their formal potentials are significantly different from each other, and shift negatively in the order of 4-FcPy > 5-FcPy > 2-FcPy. This result suggests that the intramolecular electronic communication is dictated by the delocalization effect of the π-bonding systems in 2-FcPy, and that the electron-withdrawing effect of the nitrogen atoms in the pyrimidine ring plays the key role in 4-FcPy and 5-FcPy. The single crystal X-ray structure analyis and Density Functional Theory (DFT) calculation provided additional evidence (e.g., different torsion angles between the cyclopentadienyl and pyrimidine rings) to support the observed correlation between the redox properties and structural nature

Epr, structural characteristics and intramolecular movements of some phenoxyl radicals in toluene

OpenAIRE

Nizameev, I.; Pudovkin, M.; Kadirov, M.

2010-01-01

The method of electron paramagnetic resonance (EPR) spectroscopy was used for studying magnetic and dynamic properties of phenoxyl radicals in toluene at 170-370 K. Characteristics of intramolecular motion and structure of phenoxyl radicals were determined from the temperature dependence of EPR spectra. For all the given compounds the activation energies of transitions between the conformers were calculated.

Physics of condensed matter

CERN Document Server

Misra, Prasanta K

2012-01-01

Physics of Condensed Matter is designed for a two-semester graduate course on condensed matter physics for students in physics and materials science. While the book offers fundamental ideas and topic areas of condensed matter physics, it also includes many recent topics of interest on which graduate students may choose to do further research. The text can also be used as a one-semester course for advanced undergraduate majors in physics, materials science, solid state chemistry, and electrical engineering, because it offers a breadth of topics applicable to these majors. The book be

Pion condensation and neutron star dynamics

International Nuclear Information System (INIS)

Kaempfer, B.

1983-01-01

The question of formation of pion condensate via a phase transition in nuclear matter, especially in the core of neutron stars is reviewed. The possible mechanisms and the theoretical restrictions of pion condensation are summarized. The effects of ultradense equation of state and density jumps on the possible condensation phase transition are investigated. The possibilities of observation of condensation process are described. (D.Gy.)

A Highly Efficient Method for Synthesis of Bisarylmethylidenes of Cyclic Ketones in [BMIm]Cl/NaOH System as New and Recyclable Catalyst

Directory of Open Access Journals (Sweden)

Shahrzad Javanshir

2014-03-01

Full Text Available An ionic liquid 1-Butyl-3-methylimidazoliumchloride[BMIm]Cl/sodium hydroxide system, was employed as a catalyst for the fast and one-pot crossed aldol-condensation of various aromatic aldehydes and cyclic ketones, to produce a variety of substituted α,α'-bis(benzylidene-cycloalkanones under neat conditions. This process is simple, efficient and environmentally benign and proceeds in high yield and short reaction times. The ionic liquid can be recycled for subsequent reactions without any appreciable loss of efficiency.

Surprisingly Mild Enolate-Counterion-Free Pd(0)-Catalyzed Intramolecular Allylic Alkylations

DEFF Research Database (Denmark)

Madec, David; Prestat, Guillaume; Martini, Elisabetta

2005-01-01

Palladium-catalyzed intramolecular allylic alkylations of unsaturated EWG-activated amides can take place under phase-transfer conditions or in the presence of a crown ether. These new reaction conditions are milder and higher yielding than those previously reported. A rationalization for such an...... for such an unexpected result is put forth and validated by DFT-B3LYP calculations. The results suggest cyclization via a counterion-free (E)-enolate TS....

Optimal design of condenser weight

International Nuclear Information System (INIS)

Zheng Jing; Yan Changqi; Wang Jianjun

2011-01-01

The condenser is an important component in nuclear power plants, which dimension and weight will effect the economical performance and the arrangement of the nuclear power plants. In this paper, the calculation model is established according to the design experience. The corresponding codes are also developed, and the sensitivity of design parameters which influence the condenser weight is analyzed. The present design optimization of the condenser, taking the weight minimization as the objective, is carried out with the self-developed complex-genetic algorithm. The results show that the reference condenser design is far from the best scheme, and also verify the feasibility of the complex-genetic algorithm. (authors)

The physics of exciton-polariton condensates

CERN Document Server

Lagoudakis, Konstantinos

2013-01-01

In 2006 researchers created the first polariton Bose-Einstein condensate at 19K in the solid state. Being inherently open quantum systems, polariton condensates open a window into the unpredictable world of physics beyond the “fifth state of matter”: the limited lifetime of polaritons renders polariton condensates out-of-equilibrium and provides a fertile test-bed for non-equilibrium physics. This book presents an experimental investigation into exciting features arising from this non-equilibrium behavior. Through careful experimentation, the author demonstrates the ability of polaritons to synchronize and create a single energy delocalized condensate. Under certain disorder and excitation conditions the complete opposite case of coexisting spatially overlapping condensates may be observed. The author provides the first demonstration of quantized vortices in polariton condensates and the first observation of fractional vortices with full phase and amplitude characterization. Finally, this book investigate...

An intramolecular inverse electron demand Diels–Alder approach to annulated α-carbolines

Directory of Open Access Journals (Sweden)

Zhiyuan Ma

2012-06-01

Full Text Available Intramolecular inverse electron demand cycloadditions of isatin-derived 1,2,4-triazines with acetylenic dienophiles tethered by amidations or transesterifications proceed in excellent yields to produce lactam- or lactone-fused α-carbolines. Beginning with various isatins and alkynyl dienophiles, a pilot-scale library of eighty-eight α-carbolines was prepared by using this robust methodology for biological evaluation.

Intramolecular telomeric G-quadruplexes dramatically inhibit DNA synthesis by replicative and translesion polymerases, revealing their potential to lead to genetic change.

Directory of Open Access Journals (Sweden)

Deanna N Edwards

Full Text Available Recent research indicates that hundreds of thousands of G-rich sequences within the human genome have the potential to form secondary structures known as G-quadruplexes. Telomeric regions, consisting of long arrays of TTAGGG/AATCCC repeats, are among the most likely areas in which these structures might form. Since G-quadruplexes assemble from certain G-rich single-stranded sequences, they might arise when duplex DNA is unwound such as during replication. Coincidentally, these bulky structures when present in the DNA template might also hinder the action of DNA polymerases. In this study, single-stranded telomeric templates with the potential to form G-quadruplexes were examined for their effects on a variety of replicative and translesion DNA polymerases from humans and lower organisms. Our results demonstrate that single-stranded templates containing four telomeric GGG runs fold into intramolecular G-quadruplex structures. These intramolecular G quadruplexes are somewhat dynamic in nature and stabilized by increasing KCl concentrations and decreasing temperatures. Furthermore, the presence of these intramolecular G-quadruplexes in the template dramatically inhibits DNA synthesis by various DNA polymerases, including the human polymerase δ employed during lagging strand replication of G-rich telomeric strands and several human translesion DNA polymerases potentially recruited to sites of replication blockage. Notably, misincorporation of nucleotides is observed when certain translesion polymerases are employed on substrates containing intramolecular G-quadruplexes, as is extension of the resulting mismatched base pairs upon dynamic unfolding of this secondary structure. These findings reveal the potential for blockage of DNA replication and genetic changes related to sequences capable of forming intramolecular G-quadruplexes.

Peculiar behavior of MWW materials in aldol condensation of furfural and acetone

Czech Academy of Sciences Publication Activity Database

Kikhtyanin, O.; Eliášová, Pavla; Jindrová, T.; Kubička, D.

2014-01-01

Roč. 43, č. 27 (2014), s. 10628-10641 ISSN 1477-9226 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : acetone * aldehydes * batch reactors Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.197, year: 2014

Transient direct-contact condensation on liquid droplets

International Nuclear Information System (INIS)

Pasamehmetoglu, K.O.; Nelson, R.A.

1987-01-01

In this paper, direct-contact condensation on subcooled liquid droplets is studied in two parts. In the first part, simple design correlations for the condensation in a steady environment are developed based upon a conduction model. These correlations include the convective heat-transfer coefficient, condensation rate, total condensation, and the droplet-thermalization time. In the second part of the paper, the effect of a time-dependent saturation temperature on the condensation process is investigated. A rapid decrease in saturation temperature is typical of condensation environments in which the steam-supply rate is limited and condensation-induced depressurization becomes important. Design correlations are developed for condensation in an environment in which the saturation temperature decreases linearly with time. These correlations are graphically compared to the design correlations of the first part through a quasi-steady approach. The error associated with this approach is quantified as a function of the rate of change of the saturation temperature

Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

Energy Technology Data Exchange (ETDEWEB)

Buschman, Francis X., E-mail: Francis.Buschman@unnpp.gov; Aumiller, David L.

2017-02-15

Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

International Nuclear Information System (INIS)

Buschman, Francis X.; Aumiller, David L.

2017-01-01

Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

Computations for a condenser. Experimental results

International Nuclear Information System (INIS)

Walden, Jean.

1975-01-01

Computations for condensers are presented with experimental results. The computations are concerned with the steam flux at the condenser input, and inside the tube bundle. Experimental results are given for the flux inside the condenser sleeve and the flow passing through the tube bundle [fr

Charge Screening in a Charged Condensate

International Nuclear Information System (INIS)

Gabadadze, Gregory; Rosen, Rachel A.

2009-01-01

We consider a highly dense system of helium-4 nuclei and electrons in which the helium-4 nuclei have condensed. We present the condensation mechanism in the framework of low energy effective field theory and discuss the screening of electric charge in the condensate.

Polariton condensates

International Nuclear Information System (INIS)

Snoke, David; Littlewood, Peter

2010-01-01

Most students of physics know about the special properties of Bose-Einstein condensates (BECs) as demonstrated in the two best-known examples: superfluid helium-4, first reported in 1938, and condensates of trapped atomic gases, first observed in 1995. (See the article by Wolfgang Ketterle in PHYSICS TODAY, December 1999, page 30.) Many also know that superfluid 3 He and superconducting metals contain BECs of fermion pairs. An underlying principle of all those condensed-matter systems, known as quantum fluids, is that an even number of fermions with half-integer spin can be combined to make a composite boson with integer spin. Such composite bosons, like all bosons, have the property that below some critical temperature--roughly the temperature at which the thermal de Broglie wavelength becomes comparable to the distance between the bosons--the total free energy is minimized by having a macroscopic number of bosons enter a single quantum state and form a macroscopic, coherent matter wave. Remarkably, the effect of interparticle repulsion is to lead to quantum mechanical exchange interactions that make that state robust, since the exchange interactions add coherently.

Comparison of condensation correlations in CATHARE for modelling isolation condenser experiment

International Nuclear Information System (INIS)

Sorjonen, J.; Kalli, H.

1996-01-01

CATHARE is a thermal-hydraulic computer code developed at the Centre d'Etudes Nucleaires de Grenoble (CENG) for nuclear power plant safety analysis. Behaviour of a new Cathare condensation correlation have been studied. The code has been applied to Isolation Condenser (IC) experiment conducted in PIPER-ONE facility. PIPER-ONE simulates a General Electric BWR-6 with volume and height scaling ratios 1/2200 and 1/1, respectively. The facility is installed at Dipartimento di Costruzioni Meccaniche e Nucleari of Pisa University. The facility was equipped with an once-through heat exchanger immersed in a pool of ambient temperature water, installed roughly 10 m above the core, in the aim to reproduce qualitatively the phenomenologies expected for Isolation Condenser in the Simplified BWR (SBWR). Experiment PO-IC-02 included two subsequent power levels with initial pressure of 5.1 MPa. The IC was active during the whole experiment except in the time period between the two different power levels. A previous calculation of above mentioned experiment by Cathare2 V1.3E showed some lacks in the condensation correlation of the code. A new correlation has been developed in Centre d'Etudes Nucleaires de Grenoble (CENG). The new calculation of the PO-IC-02 experiment by Cathare2 Vl.3U 1 with the new correlation gave results consistent with the experiment in the condensing zone of the IC. Also the overall pressure trend was reproduced with estimated heat losses to the environment. A comparison with previously obtained Relap5/Mod3. 1 results is also shown in the present document. (author) (18 refs.)

Impact of undamped and damped intramolecular vibrations on the efficiency of photosynthetic exciton energy transfer

Science.gov (United States)

Juhász, Imre Benedek; Csurgay, Árpád I.

2018-04-01

In recent years, the role of molecular vibrations in exciton energy transfer taking place during the first stage of photosynthesis attracted increasing interest. Here, we present a model formulated as a Lindblad-type master equation that enables us to investigate the impact of undamped and especially damped intramolecular vibrational modes on the exciton energy transfer, particularly its efficiency. Our simulations confirm the already reported effects that the presence of an intramolecular vibrational mode can compensate the energy detuning of electronic states, thus promoting the energy transfer; and, moreover, that the damping of such a vibrational mode (in other words, vibrational relaxation) can further enhance the efficiency of the process by generating directionality in the energy flow. As a novel result, we show that this enhancement surpasses the one caused by pure dephasing, and we present its dependence on various system parameters (time constants of the environment-induced relaxation and excitation processes, detuning of the electronic energy levels, frequency of the intramolecular vibrational modes, Huang-Rhys factors, temperature) in dimer model systems. We demonstrate that vibrational-relaxation-enhanced exciton energy transfer (VREEET) is robust against the change of these characteristics of the system and occurs in wide ranges of the investigated parameters. With simulations performed on a heptamer model inspired by the Fenna-Matthews-Olson (FMO) complex, we show that this mechanism can be even more significant in larger systems at T = 300 K. Our results suggests that VREEET might be prevalent in light-harvesting complexes.

Characterization of spacecraft humidity condensate

Science.gov (United States)

Muckle, Susan; Schultz, John R.; Sauer, Richard L.

1994-01-01

When construction of Space Station Freedom reaches the Permanent Manned Capability (PMC) stage, the Water Recovery and Management Subsystem will be fully operational such that (distilled) urine, spent hygiene water, and humidity condensate will be reclaimed to provide water of potable quality. The reclamation technologies currently baselined to process these waste waters include adsorption, ion exchange, catalytic oxidation, and disinfection. To ensure that the baseline technologies will be able to effectively remove those compounds presenting a health risk to the crew, the National Research Council has recommended that additional information be gathered on specific contaminants in waste waters representative of those to be encountered on the Space Station. With the application of new analytical methods and the analysis of waste water samples more representative of the Space Station environment, advances in the identification of the specific contaminants continue to be made. Efforts by the Water and Food Analytical Laboratory at JSC were successful in enlarging the database of contaminants in humidity condensate. These efforts have not only included the chemical characterization of condensate generated during ground-based studies, but most significantly the characterization of cabin and Spacelab condensate generated during Shuttle missions. The analytical results presented in this paper will be used to show how the composition of condensate varies amongst enclosed environments and thus the importance of collecting condensate from an environment close to that of the proposed Space Station. Although advances were made in the characterization of space condensate, complete characterization, particularly of the organics, requires further development of analytical methods.

46 CFR 56.50-35 - Condensate pumps.

Science.gov (United States)

2010-10-01

... APPURTENANCES Design Requirements Pertaining to Specific Systems § 56.50-35 Condensate pumps. Two means shall be provided for discharging the condensate from the main condenser, one of which shall be mechanically... suction from the condenser and a discharge to the feed tank, it may be accepted as an independent...

Gravitationally Driven Wicking for Enhanced Condensation Heat Transfer.

Science.gov (United States)

Preston, Daniel J; Wilke, Kyle L; Lu, Zhengmao; Cruz, Samuel S; Zhao, Yajing; Becerra, Laura L; Wang, Evelyn N

2018-04-17

Vapor condensation is routinely used as an effective means of transferring heat or separating fluids. Filmwise condensation is prevalent in typical industrial-scale systems, where the condensed fluid forms a thin liquid film due to the high surface energy associated with many industrial materials. Conversely, dropwise condensation, where the condensate forms discrete liquid droplets which grow, coalesce, and shed, results in an improvement in heat transfer performance of an order of magnitude compared to filmwise condensation. However, current state-of-the-art dropwise technology relies on functional hydrophobic coatings, for example, long chain fatty acids or polymers, which are often not robust and therefore undesirable in industrial conditions. In addition, low surface tension fluid condensates, such as hydrocarbons, pose a unique challenge because common hydrophobic condenser coatings used to shed water (with a surface tension of 73 mN/m) often do not repel fluids with lower surface tensions (condensation heat transfer using gravitationally driven flow through a porous metal wick, which takes advantage of the condensate's affinity to wet the surface and also eliminates the need for condensate-phobic coatings. The condensate-filled wick has a lower thermal resistance than the fluid film observed during filmwise condensation, resulting in an improved heat transfer coefficient of up to an order of magnitude and comparable to that observed during dropwise condensation. The improved heat transfer realized by this design presents the opportunity for significant energy savings in natural gas processing, thermal management, heating and cooling, and power generation.

Numerical investigation of convective condensation with the presence of non-condensable gases in a vertical tube

Energy Technology Data Exchange (ETDEWEB)

Fu, Wen [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Li, Xiaowei, E-mail: lixiaowei@tsinghua.edu.cn [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Wu, Xinxin [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Corradini, Michael L. [Department of Engineering Physics, University of Wisconsin-Madison, 1500 Engineering Drive, Madison, WI 53706 (United States)

2016-02-15

Highlights: • Gas mixture convective condensation in vertical tubes were simulated using FLUENT code. • The simulation results matched well with experimental data. • The detailed velocity field and species distribution were investigated. • The suction factors predicted by CFD models were compared with the classical correlations. • The effects of air and helium on steam condensation were compared. - Abstract: Steam condensation is degraded when non-condensable gases are present. Convective condensation of steam–air mixture and steam–helium mixture in vertical tubes were simulated using the CFD code FLUENT. The condensation process was modeled by defining source terms for the mass, momentum, species and energy conservation equations. Several cases with various steam mass fractions were simulated, the results matched well with the experimental data. Detailed velocity field and species distribution were investigated. The radial velocity was clearly represented, and the suction effect was modeled, which needs to be accounted for when using the heat and mass transfer analogy theory. The Nusselt and Sherwood numbers predicted by CFD models were compared with the classical correlations, and the suction effects were analyzed. The suction effect is proportional to steam mass fraction, while the suction factor is little affected by the Reynolds number. For forced convection flow in this work, the buoyant force can be neglected, so the larger diffusion coefficient of steam–helium mixture would improve the steam condensation compared to steam–air mixture. The condensation mass fluxes of steam–helium mixture and steam–air mixture are almost the same at relatively high steam inlet molar fraction (≥90%).

The application of condensate water as an additional cooling media intermittently in condenser of a split air conditioning

Science.gov (United States)

Ardita, I. N.; Subagia, I. W. A.

2018-01-01

The condensate water produced by indoor a split air conditioning is usually not utilized and thrown away into the environment. The result of measurement shows that the temperature of condensate water produced by split air conditioning is quite low, that is 19-22 °C at the rate of 16-20 mL / min and it has PH balance. Under such conditions, Air Condensate produced by split air conditioning should still be recovered as an additional cooling medium on the condenser. This research will re-investigate the use of condensate water as an intermittent additional cooling of the condenser to increase the cooling capacity and performance of the air conditioning system. This research is done by experimental method whose implementation includes; designing and manufacturing of experimental equipment, mounting measuring tools, experimental data retrieval, data processing and yield analysis. The experimental results show that the use of condensate water as an intermittent additional cooling medium on split air conditioning condenser can increase the refrigeration effect about 2%, cooling capacity about 4% and 7% of COP system. Experimental results also show a decrease in power consumption in the system compressor about 3%

Long-range intramolecular electron transfer in aromatic radical anions and binuclear transition metal complexes

DEFF Research Database (Denmark)

Kuznetsov, A. M.; Ulstrup, Jens

1981-01-01

Intramolecular electron transfer (ET) over distances up to about 10 Å between states in which the electron is localized on donor and acceptor groups by interaction with molecular or external solvent nuclear motion occurs, in particular, in two classes of systems. The excess electron in anionic ra...

A Local Condensation Analysis Representing Two-phase Annular Flow in Condenser/radiator Capillary Tubes

Science.gov (United States)

Karimi, Amir

1991-01-01

NASA's effort for the thermal environmental control of the Space Station Freedom is directed towards the design, analysis, and development of an Active Thermal Control System (ATCS). A two phase, flow through condenser/radiator concept was baselined, as a part of the ATCS, for the radiation of space station thermal load into space. The proposed condenser rejects heat through direct condensation of ATCS working fluid (ammonia) in the small diameter radiator tubes. Analysis of the condensation process and design of condenser tubes are based on the available two phase flow models for the prediction of flow regimes, heat transfer, and pressure drops. The prediction formulas use the existing empirical relationships of friction factor at gas-liquid interface. An attempt is made to study the stability of interfacial waves in two phase annular flow. The formulation is presented of a stability problem in cylindrical coordinates. The contribution of fluid viscosity, surface tension, and transverse radius of curvature to the interfacial surface is included. A solution is obtained for Kelvin-Helmholtz instability problem which can be used to determine the critical and most dangerous wavelengths for interfacial waves.

An experimental study of high pressure steam condensation in a vertical tube of passive secondary condensation system

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang Jae; No, Hee Cheon [KAIST, Taejon (Korea, Republic of)

1998-07-01

To investigate the physical parameters of PSCS (Passive Secondary Condensation System) which is a passive residual heat removal system of CP-1300, the high pressure condensation experiments are performed in a small scale experimental facility. The experimental parameters are the local heat flux and the transfer coefficient and the pressure drop in a condensation heat trasnfer. The film condensation heat transfer coefficients in a vertical tube are calculated from the measured wall temperature difference and compared with the analytical models. A new analytical condensation model is developed based on the annular film flow model. The present model gives marginally better results than those from the Shah model in comparison with the experimental data in the database. Also, experimental data are compared with the results of the RELAP5/MOD3.2 thermal hydraulic code. The RELAP5/MOD3.2 underpredicts the condensation heat transfer coefficients of the present experiment by 50 %.

Condensing boiler applications in the process industry

International Nuclear Information System (INIS)

Chen, Qun; Finney, Karen; Li, Hanning; Zhang, Xiaohui; Zhou, Jue; Sharifi, Vida; Swithenbank, Jim

2012-01-01

Major challenging issues such as climate change, energy prices and fuel security have focussed the attention of process industries on their energy efficiency and opportunities for improvement. The main objective of this research study was to investigate technologies needed to exploit the large amount of low grade heat available from a flue gas condensing system through industrial condensing boilers. The technology and application of industrial condensing boilers in various heating systems were extensively reviewed. As the condensers require site-specific engineering design, a case study was carried out to investigate the feasibility (technically and economically) of applying condensing boilers in a large scale district heating system (40 MW). The study showed that by recovering the latent heat of water vapour in the flue gas through condensing boilers, the whole heating system could achieve significantly higher efficiency levels than conventional boilers. In addition to waste heat recovery, condensing boilers can also be optimised for emission abatement, especially for particle removal. Two technical barriers for the condensing boiler application are corrosion and return water temperatures. Highly corrosion-resistant material is required for condensing boiler manufacture. The thermal design of a 'case study' single pass shell-and-tube condensing heat exchanger/condenser showed that a considerable amount of thermal resistance was on the shell-side. Based on the case study calculations, approximately 4900 m 2 of total heat transfer area was required, if stainless steel was used as a construction material. If the heat transfer area was made of carbon steel, then polypropylene could be used as the corrosion-resistant coating material outside the tubes. The addition of polypropylene coating increased the tube wall thermal resistance, hence the required heat transfer area was approximately 5800 m 2 . Net Present Value (NPV) calculations showed that the choice of a carbon

Design analysis of a Helium re-condenser

Science.gov (United States)

Muley, P. K.; Bapat, S. L.; Atrey, M. D.

2017-02-01

Modern helium cryostats deploy a cryocooler with a re-condenser at its II stage for in-situ re-condensation of boil-off vapor. The present work is a vital step in the ongoing research work of design of cryocooler based 100 litre helium cryostat with in-situ re-condensation. The cryostat incorporates a two stage Gifford McMahon cryocooler having specified refrigerating capacity of 40 W at 43 K for I stage and 1 W at 4.2 K for II stage. Although design of cryostat ensures thermal load for cryocooler below its specified refrigerating capacity at the second stage, successful in-situ re-condensation depends on proper design of re-condenser which forms the objective of this work. The present work proposes design of helium re-condenser with straight rectangular fins. Fins are analyzed for optimization of thermal performance parameters such as condensation heat transfer coefficient, surface area for heat transfer, re-condensing capacity, efficiency and effectiveness. The present work provides design of re-condenser with 19 integral fins each of 10 mm height and 1.5 mm thickness with a gap of 1.5 mm between two fins, keeping in mind the manufacturing feasibility, having efficiency of 80.96 % and effectiveness of 10.34.

Vapor condensation device

International Nuclear Information System (INIS)

Sakurai, Manabu; Hirayama, Fumio; Kurosawa, Setsumi; Yoshikawa, Jun; Hosaka, Seiichi.

1992-01-01

The present invention enables to separate and remove 14 C as CO 3 - ions without condensation in a vapor condensation can of a nuclear facility. That is, the vapor condensation device of the nuclear facility comprises (1) a spray pipe for spraying an acidic aqueous solution to the evaporation surface of an evaporation section, (2) a spray pump for sending the acidic aqueous solution to the spray pipe, (3) a tank for storing the acidic aqueous solution, (4) a pH sensor for detecting pH of the evaporation section, (5) a pH control section for controlling the spray pump, depending on the result of the detection of the pH sensor. With such a constitution, the pH of liquid wastes on the vaporization surface is controlled to 7 by spraying an aqueous solution of dilute sulfuric acid to the evaporation surface, thereby enabling to increase the transfer rate of 14 C to condensates to 60 to 70%. If 14 C is separated and removed as a CO 2 gas from the evaporation surface, the pH of the liquid wastes returns to the alkaline range of 9 to 10 and the liquid wastes are returned to a heating section. The amount of spraying the aqueous solution of dilute sulfuric acid can be controlled till the pH is reduced to 5. (I.S.)

Fluegas condensation of domestic fuels. Kotimaisten polttoaineiden savukaasulauhdutus

Energy Technology Data Exchange (ETDEWEB)

Kankkunen, A; Fagerholm, N E

1988-01-01

The suitability of domestic fuel for condensation heat recovery was studied. With the developed computer program, enthalpies of flue gas as function of temperature were computed and also the theoretical advandages aquired by condensation were compared with different fuels. The maximal advantages of condensation were 39 % with wooden chips and 31 % with peat. The domestic fuels were found to be useful for condensation heat recovery because of the high water content and the high dewpoint of flu egas. Condensation was found to have a purifying effect on flue gases. It was found experimentaly that 30 % the sulfur of the peat dissolved to the condensed liquid. The composition of condensed liquid of peat- and wooden chip flue gases was studied to find out the corrosion and enviromental effects. The risk of corrosion to metallic heat exhanger was concluded from the compositio of peat condensat. Chip condensate was found to be almost neutral. Normally the condensate liquids were fit for sewering without aftertreatment. Heat transfer coefficient from flue gases to the wall of the condenser was measured to be 150-170 W/Km{sup 2}. Heat transfer coefficients were three times higher compared to condensing heat transfer.

Capillary-Condenser-Pumped Heat-Transfer Loop

Science.gov (United States)

Silverstein, Calvin C.

1989-01-01

Heat being transferred supplies operating power. Capillary-condenser-pumped heat-transfer loop similar to heat pipe and to capillary-evaporator-pumped heat-transfer loop in that heat-transfer fluid pumped by evaporation and condensation of fluid at heat source and sink, respectively. Capillary condenser pump combined with capillary evaporator pump to form heat exchanger circulating heat-transfer fluids in both loops. Transport of heat more nearly isothermal. Thermal stress in loop reduced, and less external surface area needed in condenser section for rejection of heat to heat sink.

Emergency condensator for BWR type reactor

International Nuclear Information System (INIS)

Ubakai, Yoichi; Narumi, Yuichi; Sakata, Yuji.

1992-01-01

An emergency condensator is constituted with heat transfer pipes, a steam chamber, an upper pipe plate, a lower pipe plate and a condensate chamber. The upper pipe plate is secured by supports, and a steam pipe is connected to the upper pipe plate. A condensate pipeline and a incondensible gas vent pipe are disposed to the condensate chamber. Taking thermal expansion of the steam pipes and thermal expansion of the heat transfer pipes into consideration, the heat transfer pipe is made as an L-shaped pipe having a vertical portion and a horizontal portion so as to absorb each of the thermal expansion smoothly. The L-shaped heat transfer pipes are constituted as a bundle of pipes having the end portions thereof secured to the upper pipe plate and the lower pipe plate. The emergency condensator is disposed in a emergency condensator pool chamber. Cooling water in contact with the outer side of the L-shaped heat transfer pipes is the pool water in the pool chamber, and the condensator chamber is disposed in concrete walls of the pool chamber. With such a constitution, stress due to thermal expansion of the heat transfer pipes is mitigated, and heat transfer performance, earth quake resistance and maintenancability are improved. (I.N.)

Experimental investigation of non-condensable gases effect on operation of VVER steam generator in condensation mode

International Nuclear Information System (INIS)

Efanov, A. D.; Kalyakin, S. G.; Morozov, A. V.; Remizov, O. V.; Tsyganok, A. A.; Generalov, V. N.; Berkovich, V. M.; Taranov, G. S.

2008-01-01

To provide the safety in new Russian NPP designs, protection passive systems which don't depend upon human errors are widely used. In terms of safety, the design of NPP of new generation (NPP-2006) falls into the class of advanced NPPs. In the event of an beyond design basis accident with the rupture of the reactor primary circuit and accompanied by the loss of ac sources, the use of passive safety systems are provided for necessary core cooling. Among these is passive heat removal system (PHRS). In the case of leakage in the primary circuit this system ensures the transition of steam generators (SG) to operation in the mode of condensation of the primary circuit steam coming to SG piping from the reactor. As a result, the condensate from steam generators arrives at the core providing its additional cooling. The SG condensation capacity can be adversely affected by the presence of non-condensable gases in the primary circuit of the reactor. Their main sources are nitrogen arriving at the circuit, as hydro accumulators actuate, products of radiolysis of water and air drawn in from the containment through the pipeline rupture. The accumulation of non-condensable gases in SG piping can result in degradation of its condensation capacity to the extent that condensation completely terminates. In this case, the core cooling conditions may be impaired. To experimental investigation of the condensation mode of operation of WER steam generator, a large scale HA2M-SG test rig was constructed at the SSC RF IPPE. The test rig incorporates: buffer tank, equipped by steam supply system; SG model with volumetric-power scale is 1:46; PHRS heat exchanger imitator, cooling by process water. The rig main equipment connected by pipelines and equipped by valves. The elevations of the main equipment correspond to those of reactor project. The rig maximum operating parameters: steam pressure - 1.6 MPa, temperature - 200 Celsius degrees. Experiments at the HA2M-SG test rig have been

Potassium hydroxide/dimethyl sulfoxide promoted intramolecular cyclization for the synthesis of benzimidazol-2-ones.

Science.gov (United States)

Beyer, Astrid; Reucher, Christine M M; Bolm, Carsten

2011-06-03

A new protocol for intramolecular N-arylations of ureas to form benzimidazol-2-ones has been developed. The cyclization reaction occurs in the presence of KOH and DMSO at close to ambient temperature. Under these conditions the yields are high and a wide range of functional groups are tolerated.

Titanium application to power plant condensers

International Nuclear Information System (INIS)

Itoh, H.

1987-01-01

Recently, the growth of operating performance and construction plan of titanium-tubed condensers in thermal and unclear power plants has been very impressive. High-quality, thinner welded titanium tubes used for cooling tubes, matching design specifications of condensers, have been stably supplied through mass production. It now can be said that various technical problems for titanium-tubed condensers have been solved, but data on operating performance in large-scale commercial plants are still scarce, and site-by-site information needs be exchanged more frequently and on a larger scale. Projects to replace existing condenser cooling tubes with those of corrosion-resistant titanium have been actively furthered, with the only remaining barrier to full employment being cost effectiveness. It is hoped that condenser and tube manufacturers will conduct more joint value analyses

Bose Condensate in He II

International Nuclear Information System (INIS)

Svensson, E.C.

1984-01-01

The Condensate Saga, now halfway through its fifth decade, is reviewed. The recent neutron-scattering work which has at last convincingly established that there is indeed a Bose Condensate in He II is described

Modelling of film condensation in presence of non condensable gases

International Nuclear Information System (INIS)

Genevieve Geffraye; Dominique Bestion; Vladimir Kalitvianski

2005-01-01

Full text of publication follows: This paper presents recent developments in the modelling of the condensation due to heat removal from a wall with a possible presence of hydrogen, nitrogen, or air. This work is mainly concerned with nuclear reactor safety with particular reference to situations related to new reactor design, cold shutdown state and severe accident analysis. Film condensation of steam in presence of nitrogen and helium in a tube has been investigated in the COTURNE experiment in a rather large range of parameters, pressure (from 0.1 to 7 Mpa), heat flux (0.1 to 6 W/cm 2 ), mass fraction of noncondensable gas (0 to 1) and also in presence of superheated steam. The experiment represents a Steam Generator tube of a Pressurised Water Reactor and can simulate both co-current or countercurrent flow of steam and water.The models are implemented in the CATHARE code used for nuclear reactor thermal-hydraulics. The code uses two mass balance equations for liquid and gas, two momentum balance equations for liquid and gas and two energy balance equations for liquid and gas. Additional mass transport equations can be added for each non condensable gas. Heat transfers from wall to liquid film, from liquid to interface and gas to interface are modelled. The liquid film heat transfer coefficient is first investigated in pure saturated steam conditions in the pressure range from 0.1 to 7 Mpa. The CATHARE film condensation model in pure steam conditions is derived from Chen's correlation. Chen proposes a general correlation for the film condensation, covering the wavy-laminar and the turbulent film regimes and taking into account the interfacial friction effect. A large data base of laminar film regime was used including COTURNE data other available data found in the literature. The analysis of these data base suggests an influence of the liquid Reynolds number, according to the Nusselt theory, and also of the Eoetvoes number, with surface tension effects. A

QCD condensates in ADS/QCD

DEFF Research Database (Denmark)

Bechi, Jacopo

2009-01-01

This paper focuses on some issues about condensates and renormalization in AdS/QCD models. In particular we consider the consistency of the AdS/QCD approach for scale dependent quantities as the chiral condensate questioned in some recent papers and the 4D meaning of the 5D cosmological constant...... in a model in which the QCD is dual to a 5D gravity theory. We will be able to give some arguments that the cosmological constant is related to the QCD gluon condensate....

Bose condensation in (random traps

Directory of Open Access Journals (Sweden)

V.A. Zagrebnov

2009-01-01

Full Text Available We study a non-interacting (perfect Bose-gas in random external potentials (traps. It is shown that a generalized Bose-Einstein condensation in the random eigenstates manifests if and only if the same occurs in the one-particle kinetic-energy eigenstates, which corresponds to the generalized condensation of the free Bose-gas. Moreover, we prove that the amounts of both condensate densities are equal. This statement is relevant for justification of the Bogoliubov approximation} in the theory of disordered boson systems.

Condensed matter physics

CERN Document Server

Isihara, A

2007-01-01

More than a graduate text and advanced research guide on condensed matter physics, this volume is useful to plasma physicists and polymer chemists, and their students. It emphasizes applications of statistical mechanics to a variety of systems in condensed matter physics rather than theoretical derivations of the principles of statistical mechanics and techniques. Isihara addresses a dozen different subjects in separate chapters, each designed to be directly accessible and used independently of previous chapters. Topics include simple liquids, electron systems and correlations, two-dimensional

Understanding perovskite formation through the intramolecular exchange method in ambient conditions

Science.gov (United States)

Szostak, Rodrigo; Castro, Jhon A. P.; Marques, Adriano S.; Nogueira, Ana F.

2017-04-01

Among the methods to prepare hybrid organic-inorganic perovskite films, the intramolecular exchange method was the first one that made possible to prepare perovskite solar cells with efficiencies higher than 20%. However, perovskite formation by this method is not completely understood, especially in ambient conditions. In this work, perovskite films were prepared by the intramolecular exchange method in ambient conditions. The spin coating speed and the frequency of the MAI solution dripping onto PbI2(DMSO) were varied during the deposition steps. With the combination of these two parameters, a rigid control of the solvent drying was possible. Thus, depending on the chosen conditions, the intermediate MAPb3I8·2DMSO was formed with residual PbI2. Otherwise, direct formation of perovskite film was attained. A mechanism for the direct formation of bulk perovskite was proposed. We also investigated how the posterior thermal annealing affects the crystallinity and defects in perovskite films. With prolonged thermal annealing, the excess of MAI can be avoided, increasing the efficiency and decreasing the hysteresis of the solar cells. The best perovskite solar cell achieved a stabilized power output of 12.9%. The findings of this work pave the way for realizing the fabrication of efficient perovskite solar cells in ambient atmosphere, a very desirable condition for cost-efficient large scale manufacturing of this technology.

Dual approaches for defects condensation

Energy Technology Data Exchange (ETDEWEB)

Rougemont, Romulo; Grigorio, Leonardo de Souza; Wotzasek, Clovis [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Guimaraes, Marcelo Santos [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil)

2009-07-01

Full text. Due to the fact that the QCD running coupling constant becomes larger as we go into the low energy (or large distance) limit of the theory, a perturbative treatment of its infrared (IR) region is impossible. In particular, a formal mathematical demonstration of color confinement and a complete physical understanding of the exact mechanism that confines quarks and gluons are two missing points in our current knowledge of the IR-QCD. It was known that due to the Meissner effect of expulsion of magnetic fields in a electric condensate that usual superconductors should confine magnetic monopoles. That point led to the conjecture that the QCD vacuum could be a condensate of chromomagnetic monopoles, a dual superconductor (DSC). Such a chromomagnetic condensate should be responsible for the dual Meissner effect which is expected to lead to the confinement of color charges immersed in this medium. In dual superconductor models of color confinement, magnetic monopoles appear as topological defects in points of the space where the abelian projection becomes singular. Also, condensation of other kinds of defects such as vortices in superfluids and line-like defects in solids are responsible for a great variety of phase transitions, which once more proves the relevance of the subject. In the present work we review two methods that allow us to approach the condensation of defects: the Kleinert Mechanism (KM) and the Julia-Toulouse Mechanism (JTM). We show that in the limit where the vortex gauge field goes to zero, which we identify as the signature of the condensation of defects in the dual picture, these are two equivalent dual prescriptions for obtaining an effective theory for a phase where defects are condensed, starting from the fundamental theory defined in the normal phase where defects are diluted. (author)

Development of balanced downflow type surface condensers, (2)

International Nuclear Information System (INIS)

Tomida, Akira; Oshima, Yoshikuni; Okochi, Isao; Izumi, Kenkichi.

1976-01-01

As the size of the condensers for power generation plants grew large, the new balanced downflow type condenser was developed and completed on the basis of the experiment on steam flow according to the two-dimensional flow model, the analysis of the performance in a tube nest with a computer, and the studies on the effect of outside liquid film and the reheating deaeration of condensate. When the balanced downflow type condensers were adopted for actual plants, the construction, strength and production method were examined, and the reliability of the new condenser was confirmed by the thermal characteristic experiment with the model similar to the actual machine. The condenser comprises a condenser body, supporting plates, cooling tubes, tube plates, water chambers, and reinforcements, and the cooling tubes are arranged so as to exchange heat effectively. The arrangement of tubes is divided into three regions, namely radiation portion, densely arranged portion, and air cooling portion. In the balanced downflow type condensers, the dilution by utilizing condensate is provided against ammonia attack. The apparatuses for the thermal characteristic experiment and the experimental results, and the results of the performance test on the actual balanced downflow type condenser are reported. (Kako, I.)

Intramolecular charge separation in spirobifluorene-based donor–acceptor compounds adsorbed on Au and indium tin oxide electrodes

International Nuclear Information System (INIS)

Heredia, Daniel; Otero, Luis; Gervaldo, Miguel; Fungo, Fernando; Dittrich, Thomas; Lin, Chih-Yen; Chi, Liang-Chen; Fang, Fu-Chuan; Wong, Ken-Tsung

2013-01-01

Surface photovoltage (SPV) measurements were performed with a Kelvin-probe in spirobifluorene-based donor (diphenylamine)–acceptor (dicyano or cyanoacrylic acid moieties) compounds adsorbed from highly diluted solutions onto Au and indium tin oxide electrode surfaces. Strong intramolecular charge separation (negative SPV signals up to more than 0.1 V) due to directed molecule adsorption was observed only for spirobifluorene donor–acceptor compounds with carboxylic acid moiety. SPV signals and onset energies of electronic transitions depended on ambience conditions. - Highlights: ► Fluorene donor–acceptor derivatives were adsorbed at Au and indium tin oxide. ► Surface photovoltage measurements were performed with a Kelvin-probe. ► Strong intra-molecular charge separation was observed. ► SPV signals depended on ambience conditions

A Study on Condensation Heat Transfer at the Exterior Surface of S.A.M. Coated Titanium Tube Using in Steam Condensers

Energy Technology Data Exchange (ETDEWEB)

Im, Sung-Gu; Lee, Sang-Hyup; Ji, Dae-Yun; Park, Hyun-Gyu; Lee, Kwon-Yeong [Handong Global University, Pohang (Korea, Republic of)

2016-10-15

Condensation occurs when the temperature of a steam is reduced below its saturation temperature. There exist two forms of condensation on cooling surface: dropwise, and film condensations. Usually, dropwise condensation has a better heat transfer performance than film condensation, but it has limit of short period. Ma et al. executed heat transfer experiment in dropwise condensation with non-condensable gas, and studied how the amount of air and pressure difference affect condensation heat transfer coefficient. The more non-condensable gas exist, the condensation heat transfer coefficient is decreased. As a result, surface modified brass tube and stainless tube showed higher condensation heat transfer coefficient as much as 1.3 and 1.4 times comparing with their bare tubes in 70 kPa vacuum condition respectively. Most of power plants use sea water as coolant, so the surface of metal tubes could be corroded by the coolant. We had researched an experimental study related to condensation heat transfer on surface modified titanium tube. Our experimental facility was designed to show how two kinds of tube's heat transfer performances are different in a same condition. We changed the range of saturation pressure and coolant flow rate to observe tube's performance change. When saturation pressure and coolant flow rate increase, overall heat transfer coefficients were increased. When residue of non-condensable gases was decreased, the overall heat transfer coefficients were increased. S.A.M. coated tube's overall heat transfer coefficients were lower than those of bare tube, because the droplets didn't have a tendency of frequently falling down.

Fermion condensation and gapped domain walls in topological orders

Energy Technology Data Exchange (ETDEWEB)

Wan, Yidun [Department of Physics and Center for Field Theory and Particle Physics, Fudan University,Shanghai 200433 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University,Nanjing 210093 (China); Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada); Wang, Chenjie [Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada)

2017-03-31

We study fermion condensation in bosonic topological orders in two spatial dimensions. Fermion condensation may be realized as gapped domain walls between bosonic and fermionic topological orders, which may be thought of as real-space phase transitions from bosonic to fermionic topological orders. This picture generalizes the previous idea of understanding boson condensation as gapped domain walls between bosonic topological orders. While simple-current fermion condensation was considered before, we systematically study general fermion condensation and show that it obeys a Hierarchy Principle: a general fermion condensation can always be decomposed into a boson condensation followed by a minimal fermion condensation. The latter involves only a single self-fermion that is its own anti-particle and that has unit quantum dimension. We develop the rules of minimal fermion condensation, which together with the known rules of boson condensation, provides a full set of rules for general fermion condensation.

A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1,3-dipolar cycloaddition of 2-vinyloxybenzaldehyde derivatives

Directory of Open Access Journals (Sweden)

Hamzehloueian Mahshid

2014-01-01

Full Text Available The present study reports a systematic computational analysis of the two possible pathways, fused and bridged, for an intramolecular hetero Diels-Alder (IMHDA and an intramolecular 1,3-dipolar cycloaddition (IMDCA of 2-vinyloxybenzaldehyde derivatives. The potential energy surface analysis for both reactions is in agreement with experimental observations. The activation energies associated with the two regioisomeric channels in IMHDA reaction show that the bridged product is favored, although in IMDCA, the most stable TS results the fused product. The global electronic properties of fragments within each molecule were studied to discuss the reactivity patterns and charge transfer direction in the intramolecular processes. The asynchronicity of the bond formation and aromaticity of the optimized TSs in the Diels-Alder reaction as well as cycloaddition reaction were evaluated. Finally, 1H NMR chemical shifts of the possible regioisomers have been calculated using the GIAO method which of the most stable products are in agreement with the experimental data in the both reaction.

Models of coherent exciton condensation

International Nuclear Information System (INIS)

Littlewood, P B; Eastham, P R; Keeling, J M J; Marchetti, F M; Simons, B D; Szymanska, M H

2004-01-01

That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers

Models of coherent exciton condensation

Energy Technology Data Exchange (ETDEWEB)

Littlewood, P B [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Eastham, P R [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Keeling, J M J [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Marchetti, F M [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Simons, B D [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Szymanska, M H [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom)

2004-09-08

That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers.

Enantioselective Intramolecular CH-Insertions upon Cu-Catalyzed Decomposition of Phenyliodonium Ylides

Directory of Open Access Journals (Sweden)

Christelle Boléa

2001-02-01

Full Text Available The Cu-catalyzed intramolecular CH insertion of phenyliodonium ylide 5b has been investigated at 0° C in the presence of several chiral ligands. Enantioselectivities vary in the range of 38–72 %, and are higher than those resulting from reaction of the diazo compound 5c at 65° C. The results are consistent with a carbenoid mechanism for Cu-catalyzed decomposition of phenyliodonium ylides.

The preparation and intramolecular radical cyclisation reactions of chiral oxyme ethers

International Nuclear Information System (INIS)

Booth, Susan E.; Jenkins, Paul R.

1998-01-01

Chiral oxime ether 2 and Oxime ester 4 have been prepared by alkylation and esterification of the oxime 1. Racemic hydroxylamine 6 and chiral hydroxylamine 10 have been synthesised from N-hydroxysuccinimide and the corresponding alcohol in the presence of diethyl azo dicarboxylate, the two product were converted into the oxime ethers 7 and 11 respectively. The intramolecular radical cyclisation reactions of these oxime ethers and esters has been studied, successful reaction was observed to produce alkyl hydroxylamines 3,8 and 12. (author)

The Preparation and Intramolecular Radical Cyclisation Reactions of Chiral Oxime Ethers

Directory of Open Access Journals (Sweden)

Booth Susan E.

1998-01-01

Full Text Available Chiral oxime ether 2 and Oxime ester 4 have been prepared by alkylation and esterification of the oxime 1. Racemic hydroxylamine 6 and chiral hydroxylamine 10 have been synthesised from N-hydroxysuccinimide and the corresponding alcohol in the presence of diethylazodicarboxylate, the two products were converted into the oxime ethers 7 and 11 respectively. The intramolecular radical cyclisation reactions of these oxime ethers and esters has been studied, successful reaction was observed to produce alkyl hydroxylamines 3, 8 and 12.

Ductile Glass of Polyrotaxane Toughened by Stretch-Induced Intramolecular Phase Separation.

Science.gov (United States)

Kato, Kazuaki; Nemoto, Kaito; Mayumi, Koichi; Yokoyama, Hideaki; Ito, Kohzo

2017-09-27

A new class of ductile glasses is created from a thermoplastic polyrotaxane. The hard glass, which has a Young's modulus of 1 GPa, shows crazing, necking, and strain hardening with a total elongation of 330%. Stress concentration is prevented through a unique stretch-induced intramolecular phase separation of the cyclic components and the exposed backbone. In situ synchrotron X-ray scattering studies indicate that the backbone polymer chains slip through the cyclic components in the regions where the stress is concentrated.

Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

CERN Document Server

Park, Y T; Kim, M S; Kwon, J H

2002-01-01

Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed.

Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

Energy Technology Data Exchange (ETDEWEB)

Park, Yong Tae; Song, Myong Geun; Kim, Moon Sub; Kwon, Jeong Hee [Kyungpook National Univ., Daegu (Korea, Republic of)

2002-09-01

Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed.

Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

International Nuclear Information System (INIS)

Park, Yong Tae; Song, Myong Geun; Kim, Moon Sub; Kwon, Jeong Hee

2002-01-01

Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed

Chemical synthesis of dual labeled proteins via differently protected alkynes enables intramolecular FRET analysis.

Science.gov (United States)

Hayashi, Gosuke; Kamo, Naoki; Okamoto, Akimitsu

2017-05-30

We report a novel method for multisite protein conjugation by setting differently silyl-protected alkynes as conjugation handles, which can remain intact through the whole synthetic procedure and provide sequential and orthogonal conjugation. This strategy enables efficient preparation of a dual dye-labeled protein and structural analysis via an intramolecular FRET mechanism.

ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT: NEW CONDENSATOR, INC.--THE CONDENSATOR DIESEL ENGINE RETROFIT CRANKCASE VENTILATION SYSTEM

Science.gov (United States)

EPA's Environmental Technology Verification Program has tested New Condensator Inc.'s Condensator Diesel Engine Retrofit Crankcase Ventilation System. Brake specific fuel consumption (BSFC), the ratio of engine fuel consumption to the engine power output, was evaluated for engine...

Nonenzymatic gluconeogenesis-like formation of fructose 1,6-bisphosphate in ice.

Science.gov (United States)

Messner, Christoph B; Driscoll, Paul C; Piedrafita, Gabriel; De Volder, Michael F L; Ralser, Markus

2017-07-11

The evolutionary origins of metabolism, in particular the emergence of the sugar phosphates that constitute glycolysis, the pentose phosphate pathway, and the RNA and DNA backbone, are largely unknown. In cells, a major source of glucose and the large sugar phosphates is gluconeogenesis. This ancient anabolic pathway (re-)builds carbon bonds as cleaved in glycolysis in an aldol condensation of the unstable catabolites glyceraldehyde 3-phosphate and dihydroxyacetone phosphate, forming the much more stable fructose 1,6-bisphosphate. We here report the discovery of a nonenzymatic counterpart to this reaction. The in-ice nonenzymatic aldol addition leads to the continuous accumulation of fructose 1,6-bisphosphate in a permanently frozen solution as followed over months. Moreover, the in-ice reaction is accelerated by simple amino acids, in particular glycine and lysine. Revealing that gluconeogenesis may be of nonenzymatic origin, our results shed light on how glucose anabolism could have emerged in early life forms. Furthermore, the amino acid acceleration of a key cellular anabolic reaction may indicate a link between prebiotic chemistry and the nature of the first metabolic enzymes.

Influence of Catalyst Acid/Base Properties in Acrolein Production by Oxidative Coupling of Ethanol and Methanol.

Science.gov (United States)

Lilić, Aleksandra; Bennici, Simona; Devaux, Jean-François; Dubois, Jean-Luc; Auroux, Aline

2017-05-09

Oxidative coupling of methanol and ethanol represents a new route to produce acrolein. In this work, the overall reaction was decoupled in two steps, the oxidation and the aldolization, by using two consecutive reactors to investigate the role of the acid/base properties of silica-supported oxide catalysts. The oxidation of a mixture of methanol and ethanol to formaldehyde and acetaldehyde was performed over a FeMoO x catalyst, and then the product mixture was transferred without intermediate separation to a second reactor, in which the aldol condensation and dehydration to acrolein were performed over the supported oxides. The impact of the acid/base properties on the selectivity towards acrolein was investigated under oxidizing conditions for the first time. The acid/base properties of the catalysts were investigated by NH 3 -, SO 2 -, and methanol-adsorption microcalorimetry. A MgO/SiO 2 catalyst was the most active in acrolein production owing to an appropriate ratio of basic to acidic sites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quality factors to consider in condensate selection

Energy Technology Data Exchange (ETDEWEB)

Lywood, B. [Crude Quality Inc., Edmonton, AB (Canada)

2009-07-01

Many factors must be considered when assessing the feasibility of using condensates as a diluent for bitumen or heavy crude production blending. In addition to commercial issues, the effect of condensate quality is a key consideration. In general, condensate quality refers to density and viscosity. However, valuation decisions could be enhanced through the expansion of quality definitions and understanding. This presentation focused on the parameters that are important in choosing a diluent grade product. It also reviewed pipeline and industry specifications and provided additional information regarding general properties for bitumen and condensate compatibility; sampling and quality testing needs; and existing sources of information regarding condensate quality. tabs., figs.

On the nature of intramolecular vibrational energy transfer in dense molecular environments

Energy Technology Data Exchange (ETDEWEB)

Benten, Rebekka S. von [Institut fuer Physikalische Chemie der Universitaet Goettingen, Tammannstrasse 6, D-37077 Goettingen (Germany); Abel, Bernd, E-mail: Bernd.Abel@uni-lepzig.de [Wilhelm-Ostwald-Institut fuer Physikalische und Theoretische Chemie, Universitaet Leipzig, Linne-Strasse 2, D-04103 Leipzig (Germany)

2010-12-09

Graphical abstract: Mechanisms of IVR in multi-tiers of intramolecular energy levels in different molecular environments are investigated. - Abstract: Transient femtosecond-IR-pump-UV-absorption probe-spectroscopy has been employed to shed light on the nature of intramolecular vibrational energy transfer (IVR) in dense molecular environments ranging from the diluted gas phase to the liquid. A general feature in our experiments and those of others is that IVR proceeds via multiple timescales if overtones or combination vibrations of high frequency modes are excited. It has been found that collisions enhance IVR if its (slower) timescales can compete with collisions. This enhancement is, however, much more weaker and rather inefficient as opposed to the effect of collisions on intermolecular energy transfer which is well known. In a series of experiments we found that IVR depends not significantly on the average energy transferred in a collision but rather on the number of collisions. The collisions are much less efficient in affecting IVR than VET. We conclude that collision induced broadening of vibrational energy levels reduces the energy gaps and enhances existing couplings between tiers. The present results are an important step forward to rationalize and understand apparently different and not consistent results from different groups on different molecular systems between gas and liquid phases.

Advances in modelling of condensation phenomena

Energy Technology Data Exchange (ETDEWEB)

Liu, W.S.; Zaltsgendler, E. [Ontario Hydro Nuclear, Toronto (Canada); Hanna, B. [Atomic Energy of Canada Limited, Pinawa, Manitoba (Canada)

1997-07-01

The physical parameters in the modelling of condensation phenomena in the CANDU reactor system codes are discussed. The experimental programs used for thermal-hydraulic code validation in the Canadian nuclear industry are briefly described. The modelling of vapour generation and in particular condensation plays a key role in modelling of postulated reactor transients. The condensation models adopted in the current state-of-the-art two-fluid CANDU reactor thermal-hydraulic system codes (CATHENA and TUF) are described. As examples of the modelling challenges faced, the simulation of a cold water injection experiment by CATHENA and the simulation of a condensation induced water hammer experiment by TUF are described.

Advances in modelling of condensation phenomena

International Nuclear Information System (INIS)

Liu, W.S.; Zaltsgendler, E.; Hanna, B.

1997-01-01

The physical parameters in the modelling of condensation phenomena in the CANDU reactor system codes are discussed. The experimental programs used for thermal-hydraulic code validation in the Canadian nuclear industry are briefly described. The modelling of vapour generation and in particular condensation plays a key role in modelling of postulated reactor transients. The condensation models adopted in the current state-of-the-art two-fluid CANDU reactor thermal-hydraulic system codes (CATHENA and TUF) are described. As examples of the modelling challenges faced, the simulation of a cold water injection experiment by CATHENA and the simulation of a condensation induced water hammer experiment by TUF are described

Excited-state intramolecular proton transfer of 2-acetylindan-1,3-dione studied by ultrafast absorption and fluorescence spectroscopy

Directory of Open Access Journals (Sweden)

Pramod Kumar Verma

2016-03-01

Full Text Available We employ transient absorption from the deep-UV to the visible region and fluorescence upconversion to investigate the photoinduced excited-state intramolecular proton-transfer dynamics in a biologically relevant drug molecule, 2-acetylindan-1,3-dione. The molecule is a ß-diketone which in the electronic ground state exists as exocyclic enol with an intramolecular H-bond. Upon electronic excitation at 300 nm, the first excited state of the exocyclic enol is initially populated, followed by ultrafast proton transfer (≈160 fs to form the vibrationally hot endocyclic enol. Subsequently, solvent-induced vibrational relaxation takes place (≈10 ps followed by decay (≈390 ps to the corresponding ground state.

Condensation on Superhydrophobic Copper Oxide Nanostructures

OpenAIRE

Enright, Ryan; Miljkovic, Nenad; Dou, Nicholas; Nam, Youngsuk; Wang, Evelyn N.

2013-01-01

Condensation is an important process in both emerging and traditional power generation and water desalination technologies. Superhydrophobic nanostructures promise enhanced condensation heat transfer by reducing the characteristic size of departing droplets via a surface-tension-driven mechanism [1]. In this work, we investigated a scalable synthesis technique to produce oxide nanostructures on copper surfaces capable of sustaining superhydrophobic condensation and characterized the growth an...

Condensation heat transfer coefficient of air-cooled condensing heat exchanger of emergency cooldown tank in long-term passive cooling system

International Nuclear Information System (INIS)

Huh, Seon Jeong; Lee, Hee Joon; Moon, Joo Hyung; Bae, Youngmin; Kim, Young In

2017-01-01

For the design purpose of air-cooled condensing heat exchanger of emergency cooldown tank, average condensation heat transfer coefficient inside a circular tube was reduced by a thermal sizing program using the experimental data of Kim et al. It was compared to the existing condensation heat transfer correlations. Moreover, a sensitivity analysis of both inside condensation and outside air natural convection correlations was performed. Although condensation heat transfer did not play a great role to design over 10 3 W/m 2 /K, the improved Shah's correlation gives the best prediction for the design. Consequently, air natural convection coefficient significantly affects the design of air-cooled condensing heat exchanger. (author)

Molecular equilibrium with condensation

International Nuclear Information System (INIS)

Sharp, C.M.; Huebner, W.F.

1990-01-01

Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated. 18 refs

Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction

Energy Technology Data Exchange (ETDEWEB)

Paul, Bijan Kumar [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India); Guchhait, Nikhil, E-mail: nikhil.guchhait@rediffmail.com [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India)

2012-07-25

Highlights: Black-Right-Pointing-Pointer Experimental and computational studies on the photophysics of 4-chlorosalicylic acid. Black-Right-Pointing-Pointer Spectroscopically established ESIPT reaction substantiated by theoretical calculation. Black-Right-Pointing-Pointer Quantum chemical treatment of IMHB unveils strength, nature and directional nature. Black-Right-Pointing-Pointer Superiority of quantum chemical treatment of H-bond over geometric criteria. Black-Right-Pointing-Pointer Role of H-bond as a modulator of aromaticity. -- Abstract: The photophysical study of a pharmaceutically important chlorine substituted derivative of salicylic acid viz., 4-chlorosalicylic acid (4ClSA) has been carried out by steady-state absorption, emission and time-resolved emission spectroscopy. A large Stokes shifted emission band with negligible solvent polarity dependence marks the spectroscopic signature of excited-state intramolecular proton transfer (ESIPT) reaction in 4ClSA. Theoretical calculation by ab initio and Density Functional Theory methods yields results consistent with experimental findings. Theoretical potential energy surfaces predict the occurrence of proton transfer in S{sub 1}-state. Geometrical and energetic criteria, Atoms-In-Molecule topological parameters, Natural Bond Orbital population analysis have been exploited to evaluate the intramolecular hydrogen bond (IMHB) interaction and to explore its directional nature. The inter-correlation between aromaticity and resonance assisted H-bond is also discussed in this context. Our results unveil that the quantum chemical treatment is a more accurate tool to assess hydrogen bonding interaction in comparison to geometrical criteria.

Emission Spectroscopy as a Probe into Photoinduced Intramolecular Electron Transfer in Polyazine Bridged Ru(II,Rh(III Supramolecular Complexes

Directory of Open Access Journals (Sweden)

Karen J. Brewer

2010-08-01

Full Text Available Steady-state and time-resolved emission spectroscopy are valuable tools to probe photochemical processes of metal-ligand, coordination complexes. Ru(II polyazine light absorbers are efficient light harvesters absorbing in the UV and visible with emissive 3MLCT excited states known to undergo excited state energy and electron transfer. Changes in emission intensity, energy or band-shape, as well as excited state lifetime, provide insight into excited state dynamics. Photophysical processes such as intramolecular electron transfer between electron donor and electron acceptor sub-units may be investigated using these methods. This review investigates the use of steady-state and time-resolved emission spectroscopy to measure excited state intramolecular electron transfer in polyazine bridged Ru(II,Rh(III supramolecular complexes. Intramolecular electron transfer in these systems provides for conversion of the emissive 3MLCT (metal-to-ligand charge transfer excited state to a non-emissive, but potentially photoreactive, 3MMCT (metal-to-metal charge transfer excited state. The details of the photophysics of Ru(II,Rh(III and Ru(II,Rh(III,Ru(II systems as probed by steady-state and time-resolved emission spectroscopy will be highlighted.

Continuous condensation in nanogrooves

Science.gov (United States)

Malijevský, Alexandr

2018-05-01

We consider condensation in a capillary groove of width L and depth D , formed by walls that are completely wet (contact angle θ =0 ), which is in a contact with a gas reservoir of the chemical potential μ . On a mesoscopic level, the condensation process can be described in terms of the midpoint height ℓ of a meniscus formed at the liquid-gas interface. For macroscopically deep grooves (D →∞ ), and in the presence of long-range (dispersion) forces, the condensation corresponds to a second-order phase transition, such that ℓ ˜(μcc-μ ) -1 /4 as μ →μcc - where μc c is the chemical potential pertinent to capillary condensation in a slit pore of width L . For finite values of D , the transition becomes rounded and the groove becomes filled with liquid at a chemical potential higher than μc c with a difference of the order of D-3. For sufficiently deep grooves, the meniscus growth initially follows the power law ℓ ˜(μcc-μ ) -1 /4 , but this behavior eventually crosses over to ℓ ˜D -(μ-μc c) -1 /3 above μc c, with a gap between the two regimes shown to be δ ¯μ ˜D-3 . Right at μ =μc c , when the groove is only partially filled with liquid, the height of the meniscus scales as ℓ*˜(D3L) 1 /4 . Moreover, the chemical potential (or pressure) at which the groove is half-filled with liquid exhibits a nonmonotonic dependence on D with a maximum at D ≈3 L /2 and coincides with μc c when L ≈D . Finally, we show that condensation in finite grooves can be mapped on the condensation in capillary slits formed by two asymmetric (competing) walls a distance D apart with potential strengths depending on L . All these predictions, based on mesoscopic arguments, are confirmed by fully microscopic Rosenfeld's density functional theory with a reasonable agreement down to surprisingly small values of both L and D .

Direct contact condensation in packed beds

Energy Technology Data Exchange (ETDEWEB)

Li, Yi; Klausner, James F.; Mei, Renwei; Knight, Jessica [Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL 32611 (United States)

2006-12-15

A diffusion driven desalination process was recently described where a very effective direct contact condenser with a packed bed is used to condense water vapor out of an air/vapor mixture. A laboratory scale direct contact condenser has been fabricated as a twin tower structure with two stages, co-current and countercurrent. Experiments have been operated in each stage with respective saturated air inlet temperatures of 36, 40 and 43{sup o}C. The temperature and humidity data have been collected at the inlet and exit of the packed bed for different water to air mass flow ratios that vary between 0 and 2.5. A one-dimensional model based on conservation principles has been developed, which predicts the variation of temperature, humidity, and condensation rate through the condenser stages. Agreement between the model and experiments is very good. It is observed that the countercurrent flow stage condensation effectiveness is significantly higher than that for the co-current stage. The condensation heat and mass transfer rates were found to decrease when water blockages occur within the packed bed. Using high-speed digital cinematography, it was observed that this problem can occur at any operating condition, and is dependent on the packing surface wetting characteristics. This observation is used to explain the requirement for two different empirical constants, depending on packing diameter, suggested by Onda for the air side mass transfer coefficient correlation. (author)

Organic condensation: a vital link connecting aerosol formation to cloud condensation nuclei (CCN) concentrations

Science.gov (United States)

Riipinen, I.; Pierce, J. R.; Yli-Juuti, T.; Nieminen, T.; Häkkinen, S.; Ehn, M.; Junninen, H.; Lehtipalo, K.; Petäjä, T.; Slowik, J.; Chang, R.; Shantz, N. C.; Abbatt, J.; Leaitch, W. R.; Kerminen, V.-M.; Worsnop, D. R.; Pandis, S. N.; Donahue, N. M.; Kulmala, M.

2011-04-01

Atmospheric aerosol particles influence global climate as well as impair air quality through their effects on atmospheric visibility and human health. Ultrafine (<100 nm) particles often dominate aerosol numbers, and nucleation of atmospheric vapors is an important source of these particles. To have climatic relevance, however, the freshly nucleated particles need to grow in size. We combine observations from two continental sites (Egbert, Canada and Hyytiälä, Finland) to show that condensation of organic vapors is a crucial factor governing the lifetimes and climatic importance of the smallest atmospheric particles. We model the observed ultrafine aerosol growth with a simplified scheme approximating the condensing species as a mixture of effectively non-volatile and semi-volatile species, demonstrate that state-of-the-art organic gas-particle partitioning models fail to reproduce the observations, and propose a modeling approach that is consistent with the measurements. We find that roughly half of the mass of the condensing mass needs to be distributed proportional to the aerosol surface area (thus implying that the condensation is governed by gas-phase concentration rather than the equilibrium vapour pressure) to explain the observed aerosol growth. We demonstrate the large sensitivity of predicted number concentrations of cloud condensation nuclei (CCN) to these interactions between organic vapors and the smallest atmospheric nanoparticles - highlighting the need for representing this process in global climate models.

Scrutinizing the pion condensed phase

Energy Technology Data Exchange (ETDEWEB)

Carignano, Stefano; Mammarella, Andrea; Mannarelli, Massimo [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Lepori, Luca [Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); Universita dell' Aquila, Dipartimento di Scienze Fisiche e Chimiche, Coppito-L' Aquila (Italy); Pagliaroli, Giulia [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Gran Sasso Science Institute, L' Aquila (Italy)

2017-02-15

When the isospin chemical potential exceeds the pion mass, charged pions condense in the zero-momentum state forming a superfluid. Chiral perturbation theory provides a very powerful tool for studying this phase. However, the formalism that is usually employed in this context does not clarify various aspects of the condensation mechanism and makes the identification of the soft modes problematic. We re-examine the pion condensed phase using different approaches within the chiral perturbation theory framework. As a first step, we perform a low-density expansion of the chiral Lagrangian valid close to the onset of the Bose-Einstein condensation. We obtain an effective theory that can be mapped to a Gross-Pitaevskii Lagrangian in which, remarkably, all the coefficients depend on the isospin chemical potential. The low-density expansion becomes unreliable deep in the pion condensed phase. For this reason, we develop an alternative field expansion deriving a low-energy Lagrangian analog to that of quantum magnets. By integrating out the ''radial'' fluctuations we obtain a soft Lagrangian in terms of the Nambu-Goldstone bosons arising from the breaking of the pion number symmetry. Finally, we test the robustness of the second-order transition between the normal and the pion condensed phase when next-to-leading-order chiral corrections are included. We determine the range of parameters for turning the second-order phase transition into a first-order one, finding that the currently accepted values of these corrections are unlikely to change the order of the phase transition. (orig.)

Some kinetic and spectroscopic evidence on intramolecular relaxation processes in polyatomic molecules

International Nuclear Information System (INIS)

Quack, M.

1983-01-01

The description and definition of intramolecular vibrational relaxation processes is discussed within the framework of the quantum mechanical and statistical mechanical equations of motion. The evidence from quite different experimental sources is summarized under the common aspect of vibrational relaxation. Although much of the evidence remains ambiguous, there is good indication that a localized vibrational excitation relaxes typically in 0.1 to 10 picoseconds, which is long compared to many optical and reactive processes

Towards single-molecule detection of intramolecular exciplexes: Photophysics of a benzanthrone derivative

Energy Technology Data Exchange (ETDEWEB)

Hattori, Akifumi [Graduate School of Bio-Applications and Systems Engineering (BASE), Tokyo University of Agriculture and Technology, 2-24-16 Naka-machi, Koganei, Tokyo, 184-8588 (Japan); Department of Organic and Polymeric Materials, Tokyo Institute of Technology, Ookayama 2-12-1-S8, Meguro-ku, Tokyo, 152-8552 (Japan); Sato, Hisaya [Graduate School of Bio-Applications and Systems Engineering (BASE), Tokyo University of Agriculture and Technology, 2-24-16 Naka-machi, Koganei, Tokyo, 184-8588 (Japan); Vacha, Martin [Department of Organic and Polymeric Materials, Tokyo Institute of Technology, Ookayama 2-12-1-S8, Meguro-ku, Tokyo, 152-8552 (Japan)]. E-mail: vacha@op.titech.ac.jp

2007-01-15

We report luminescence study of intramolecular exciplexes based on an aminobenzanthrone derivative, dimethyl-amino-N-acetyl-3-aminobenzanthrone (BDA). The BDA compound shows strong dependence of the exciplex emission band intensity on the solvent dielectric function and moderate dependence on its viscosity. The exciplex emission mechanism is discussed in view of the unusual solvent polarity dependence and solvent-dependent excited state lifetimes. Preliminary results on single-molecule detection in polymer films are also presented.

Towards single-molecule detection of intramolecular exciplexes: Photophysics of a benzanthrone derivative

International Nuclear Information System (INIS)

Hattori, Akifumi; Sato, Hisaya; Vacha, Martin

2007-01-01

We report luminescence study of intramolecular exciplexes based on an aminobenzanthrone derivative, dimethyl-amino-N-acetyl-3-aminobenzanthrone (BDA). The BDA compound shows strong dependence of the exciplex emission band intensity on the solvent dielectric function and moderate dependence on its viscosity. The exciplex emission mechanism is discussed in view of the unusual solvent polarity dependence and solvent-dependent excited state lifetimes. Preliminary results on single-molecule detection in polymer films are also presented

Demonstration of Nautilus Centripetal Capillary Condenser Technology

Science.gov (United States)

Wheeler, RIchard; Tang, Linh; Wambolt, Spencer; Golliher, Eric; Agui, Juan

2016-01-01

This paper describes the results of a proof of concept effort for development of a Nautilus Centripetal Capillary Condenser (NCCC or NC3) used for microgravity compatible water recovery from moist air with integral passive phase separation. Removal of liquid condensate from the air stream exiting a condenser is readily performed here on Earth. In order to perform this function in space however, without gravity or mechanical action, other tactics including utilization of inertial, drag and capillary forces are required. Within the NC3, liquid water forms via condensation on cold condenser surfaces as humid air passes along multiple spiral channels, each in its own plane, all together forming a stacked plate assembly. Non-mechanical inertial forces are employed to transfer condensate, as it forms, via centripetal action to the outer perimeter of each channel. A V-shaped groove, constructed on this outer edge of the spiral channel, increases local capillary forces thereby retaining the liquid. Air drag then pulls the liquid along to a collection region near the center of the device. Dry air produced by each parallel spiral channel is combined in a common orthogonal, out-of-plane conduit passing down the axial center of the stacked device. Similarly, the parallel condensate streams are combined and removed from the condenser/separator through yet another out-of-plane axial conduit. NC3 is an integration of conventional finned condenser operation, combined with static phase separation and capillary transport phenomena. A Mars' transit mission would be a logical application for this technology where gravity is absent and the use of vibrating, energy-intensive, motor-driven centrifugal separators is undesired. Here a vapor stream from either the Heat Melt Compactor or the Carbon dioxide Reduction Assembly, for example, would be dried to a dew point of 10 deg using a passive NC3 condenser/separator with the precious water condensate recycled to the water bus.

Numerical simulation of dynamic quenching of dual-split fluorescence of molecules with intramolecular hydrogen bonds

International Nuclear Information System (INIS)

Morozov, V.A.; Chuvulkin, N.D.; Smolenskij, E.A.; Dubina, Yu.M.

2014-01-01

The dynamic quenching of intensity pulses of the dual-split fluorescence (DSF) has been simulated using numerical solutions of the equations for the population matrix of five states of the model fluorescent molecule (FM). The state with the highest energy is considered as resonantly excited by irradiation, and two other excited states populated by subsequent relaxation processes are taken as initial states for the FM transitions with emission of the DSF photons. The FM model parameters are selected to fit typical parameters of the molecules with intramolecular proton photo transfer. Quenching is considered as a consequence of non-radiative decay of the FM excited states due to collisions with the quencher molecules. Examples of two types of the DSF quenching of the FM are given. The first type leads to an intramolecular radiationless decay of particular excited states of the FM, and the second one results in radiationless transitions from the same states to the quencher molecule states. (authors)

EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

Directory of Open Access Journals (Sweden)

S. Compernolle

2011-09-01

Full Text Available We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects, a method to predict (subcooled liquid pure compound vapour pressure p⁰ of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log₁₀p⁰(T is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA.

Synthesis and evaluation of a dimer of 2-(4-pyridylmethyl)-1-indanone as a novel nonsteroidal aromatase inhibitor.

Science.gov (United States)

Gupta, Ranju; Jindal, Dharam Paul; Jit, Birinder; Narang, Gaurav; Palusczak, Anja; Hartmann, Rolf W

2004-07-01

A novel dimer of 2-(4-pyridylmethyl)-1-indanone (2) was obtained while carrying out aldol condensation of 1-indanone with pyridine-4-carboxaldehyde in potassium hydroxide. The structure of dimer 3 has been established using various spectral techniques and was screened for its ability to inhibit the cytochrome P(450) enzyme aromatase. The dimer showed strong inhibition of human placental aromatase and was found 3 times more potent (RP = 3, IC(50) = 10.2 microM) as compared to aminoglutethimide (RP = 1, IC(50) = 18.5 microM.

Síntese de fotoprotetores e sua imobilização em poli(metacrilato de metilo: um projeto integrado de química orgânica, química de polímeros e fotoquímica Sunscreen synthesis and their immobilisition on polymethylmethacrylate: an integrated project in organic chemistry, polymer chemistry and photochemistry

Directory of Open Access Journals (Sweden)

Dina Maria B. Murtinho

2010-01-01

Full Text Available Dibenzalacetone and other aldol condensation products are known sunscreens commonly used in cosmetics. This type of compounds can easily be prepared in an Organic Chemistry Lab by reaction of aldehydes with ketones in basic medium. These compounds can be incorporated in poly(methyl methacrylate and used as UV light absorbers, for example in sunglasses. This project has the advantage of using inexpensive reagents which are readily available in Chemistry Laboratories. This experiment can also be a base starting point for discussions of organic, polymer and photochemistry topics.

Sunscreen synthesis and their immobilisation on polymethylmethacrylate: an integrated project in organic chemistry, polymer chemistry and photochemistry

International Nuclear Information System (INIS)

Murtinho, Dina Maria B.; Serra, Maria Elisa S.; Pineiro, Marta

2010-01-01

Dibenzalacetone and other aldol condensation products are known sunscreens commonly used in cosmetics. This type of compounds can easily be prepared in an Organic Chemistry Lab by reaction of aldehydes with ketones in basic medium. These compounds can be incorporated in poly(methyl methacrylate) and used as UV light absorbers, for example in sunglasses. This project has the advantage of using inexpensive reagents which are readily available in Chemistry Laboratories. This experiment can also be a base starting point for discussions of organic, polymer and photochemistry topics. (author)

The role of intramolecular crosslinking in the radiolysis of bulk crystallized high density polyethylene

International Nuclear Information System (INIS)

Lyons, B.J.

1986-01-01

Intramolecular crosslinks have been suggested to occur in bulk crystallized, irradiated, high density polyethylene (HDPE) and to account for the low rates of gel formation, especially those of previously annealed samples when compared with that manifested by the same resin when previously quenched from the melt. Such crosslinks do not contribute to the development of gel and contribute to only a limited extent to the elastic properties above the crystalline melting point when compared with intermolecular crosslinks, but, if the mesh size of the intra- and inter-molecular networks are comparable, are fully reflected in the rupture elongation. The rupture elongations of a wide range of HDPE resins, for a given sol fraction or elastic modulus, are found to be at least as high as and often higher than those of low (LDPE) or linear low (LLDPE) polyethylene resins, indicating that intramolecular crosslinking of this type does not occur to a significantly greater extent in these higher crystallinity resins. Other factors more likely to account for the reduced rates of inter alia gel formation in some HDPE resins are discussed. (author)

CMPO-calix[4]arenes with spacer containing intramolecular hydrogen bonding: effect of local rigidification on solvent extraction toward f-block elements.

Science.gov (United States)

Chu, Hongzhu; He, Lutao; Jiang, Qian; Fang, Yuyu; Jia, Yiming; Yuan, Xiangyang; Zou, Shuliang; Li, Xianghui; Feng, Wen; Yang, Yuanyou; Liu, Ning; Luo, Shunzhong; Yang, Yanqiu; Yang, Liang; Yuan, Lihua

2014-01-15

To understand intramolecular hydrogen bonding in effecting liquid-liquid extraction behavior of CMPO-calixarenes, three CMPO-modified calix[4]arenes (CMPO-CA) 5a-5c with hydrogen-bonded spacer were designed and synthesized. The impact of spacer rotation that is hindered by introduction of intramolecular hydrogen bonding upon extraction of La(3+), Eu(3+), Yb(3+), Th(4+), and UO2(2+) has been examined. The results show that 5b and 5c containing only one hydrogen bond with a less hindered rotation spacer extract La(3+) more efficiently than 5a containing two hydrogen bonds with a more hindered rotation spacer, demonstrating the importance of local rigidification of spacer in the design of extractants in influencing the coordination environment. The large difference in extractability between La(3+) and Yb(3+) (or Eu(3+)) by 5b (or 5c), and the small difference by 5a, suggests intramolecular hydrogen bonding do exert pronounced influence upon selective extraction of light and heavy lanthanides. Log-log plot analysis indicates a 1:1, 2:1 and 1:1 stoichiometry (ligand/metal) for the extracted complex formed between 5b and La(3+), Th(4+), UO2(2+), respectively. Additionally, their corresponding acyclic analogs 7a-7c exhibit negligible extraction toward these metal ions. These results reveal the possibility of selective extraction via tuning local chelating surroundings of CMPO-CA by aid of intramolecular hydrogen bonding. Copyright © 2013 Elsevier B.V. All rights reserved.

Bose-Einstein condensation of light: general theory.

Science.gov (United States)

Sob'yanin, Denis Nikolaevich

2013-08-01

A theory of Bose-Einstein condensation of light in a dye-filled optical microcavity is presented. The theory is based on the hierarchical maximum entropy principle and allows one to investigate the fluctuating behavior of the photon gas in the microcavity for all numbers of photons, dye molecules, and excitations at all temperatures, including the whole critical region. The master equation describing the interaction between photons and dye molecules in the microcavity is derived and the equivalence between the hierarchical maximum entropy principle and the master equation approach is shown. The cases of a fixed mean total photon number and a fixed total excitation number are considered, and a much sharper, nonparabolic onset of a macroscopic Bose-Einstein condensation of light in the latter case is demonstrated. The theory does not use the grand canonical approximation, takes into account the photon polarization degeneracy, and exactly describes the microscopic, mesoscopic, and macroscopic Bose-Einstein condensation of light. Under certain conditions, it predicts sub-Poissonian statistics of the photon condensate and the polarized photon condensate, and a universal relation takes place between the degrees of second-order coherence for these condensates. In the macroscopic case, there appear a sharp jump in the degrees of second-order coherence, a sharp jump and kink in the reduced standard deviations of the fluctuating numbers of photons in the polarized and whole condensates, and a sharp peak, a cusp, of the Mandel parameter for the whole condensate in the critical region. The possibility of nonclassical light generation in the microcavity with the photon Bose-Einstein condensate is predicted.

Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View.

Science.gov (United States)

Wang, Jun; Huang, Jing; Du, Likai; Lan, Zhenggang

2015-07-09

The photoinduced intramolecular excited-state energy-transfer (EET) process in conjugated polymers has received a great deal of research interest because of its important role in the light harvesting and energy transport of organic photovoltaic materials in photoelectric devices. In this work, the silylene-bridged biphenyl and stilbene (SBS) system was chosen as a simplified model system to obtain physical insight into the photoinduced intramolecular energy transfer between the different building units of the SBS copolymer. In the SBS system, the vinylbiphenyl and vinylstilbene moieties serve as the donor (D) unit and the acceptor (A) unit, respectively. The ultrafast excited-state dynamics of the SBS system was investigated from the point of view of nonadiabatic dynamics with the surface-hopping method at the TDDFT level. The first two excited states (S1 and S2) are characterized by local excitations at the acceptor (vinylstilbene) and donor (vinylbiphenyl) units, respectively. Ultrafast S2-S1 decay is responsible for the intramolecular D-A excitonic energy transfer. The geometric distortion of the D moiety play an essential role in this EET process, whereas the A moiety remains unchanged during the nonadiabatic dynamics simulation. The present work provides a direct dynamical approach to understand the ultrafast intramolecular energy-transfer dynamics in SBS copolymers and other similar organic photovoltaic copolymers.

Synthesis of anatoxin a via intramolecular cyclization of iminium salts

International Nuclear Information System (INIS)

Bates, H.A.; Rapoport, H.

1979-01-01

Anatoxin a (1) has been synthesized by exploiting intramolecular cyclization between an iminium salt and a nucleophilic carbon to construct the 9-azabicyclo[4.2.1]nonane ring system. Cyclization of malonate iminiumsalt 16 at alkaline pH afforded a low yield of bicyclic malonate 18 owing to an unfavorable equilibrium constant and lability of the iminium salt in base. In contrast, cyclization of ketoiminium salt 31 afforded a good yield of bicyclic ketone 34 in acidic methanol. Dihydropyrrolium salts 16 and 31 were generated quantitatively by decarbonylation of substituted N-methylprolines 15 and 30b, obtained by reduction of the corresponding pyrroles

Condensation Enhancement by Surface Porosity: Three-Stage Mechanism.

Science.gov (United States)

Yarom, Michal; Marmur, Abraham

2015-08-18

Surface defects, such as pores, cracks, and scratches, are naturally occurring and commonly found on solid surfaces. However, the mechanism by which such imperfections promote condensation has not been fully explored. In the current paper we thermodynamically analyze the ability of surface porosity to enhance condensation on a hydrophilic solid. We show that the presence of a surface-embedded pore brings about three distinct stages of condensation. The first is capillary condensation inside the pore until it is full. This provides an ideal hydrophilic surface for continuing the condensation. As a result, spontaneous condensation and wetting can be achieved at lower vapor pressure than on a smooth surface.

CO2 capture by Condensed Rotational Separation

NARCIS (Netherlands)

Benthum, van R.J.; Kemenade, van H.P.; Brouwers, J.J.H.; Golombok, M.

2010-01-01

Condensed Rotational Separation (CRS) technology is a patented method to upgrade gas mixtures. A novel application is thecapture of CO2 from coal-combustion fired power stations: Condensed Contaminant Centrifugal Separation in Coal Combustion(C5sep). CRS involves partial condensation of a gas

Vortex sorter for Bose-Einstein condensates

International Nuclear Information System (INIS)

Whyte, Graeme; Veitch, John; Courtial, Johannes; Oehberg, Patrik

2004-01-01

We have designed interferometers that sort Bose-Einstein condensates into their vortex components. The Bose-Einstein condensates in the two arms of the interferometer are rotated with respect to each other through fixed angles; different vortex components then exit the interferometer in different directions. The method we use to rotate the Bose-Einstein condensates involves asymmetric phase imprinting and is itself new. We have modeled rotation through fixed angles and sorting into vortex components with even and odd values of the topological charge of two-dimensional Bose-Einstein condensates in a number of states (pure or superposition vortex states for different values of the scattering length). Our scheme may have applications for quantum information processing

Condensate treatment and oxygen control in power plants

International Nuclear Information System (INIS)

Sakai, Toshiaki; Iida, Kei; Ohashi, Shinichi.

1997-01-01

In thermal and nuclear power stations, the steam that operated turbines is cooled and condensed with condensers. The condensate is heated again with boilers, nuclear reactors or steam generators, but if corrosion products or impurities are contained in the condensate, corrosion and scale formation occur in boilers and others. The filtration facility and the desalting facility for condensate are installed to remove impurities, but water quality control is different in thermal, BWR and PWR plants, therefore, the treatment facilities corresponding to respective condensates have been adopted. In order to reduce the amount of clud generation, the treatment of injecting a small quantity of oxygen into condensate has been adopted. In thermal power plants, all volatile treatment is carried out, in which corrosion is prevented by the addition of ammonia and hydrazine to boiler feedwater. The condensate filters of various types and the NH 4 type condensate desalter for thermal power plants are described. In BWR power plants, steam is generated in nuclear reactors, therefore, the addition of chemicals into water is never carried out, and high purity neutral water is used. In PWR power plants, the addition of chemicals to water is done in the primary system, and AVT is adopted in the secondary system. Also the condensate treatment facilities are different for both reactors. (K.I.)

Boilers, evaporators, and condensers

International Nuclear Information System (INIS)

Kakac, S.

1991-01-01

This book reports on the boilers, evaporators and condensers that are used in power plants including nuclear power plants. Topics included are forced convection for single-phase side heat exchangers, heat exchanger fouling, industrial heat exchanger design, fossil-fuel-fired boilers, once through boilers, thermodynamic designs of fossil fuel-first boilers, evaporators and condensers in refrigeration and air conditioning systems (with respect to reducing CFC's) and nuclear steam generators

Condensed matter physics in electrochemistry

International Nuclear Information System (INIS)

Kornyshev, A.A.

1991-01-01

Some topics in electrochemistry are considered from the condensed matter physics viewpoint in relation to the problems discussed in this book. Examples of the successful application of condensed matter physics to electrochemistry are discussed together with prospective problems and pressing questions. (author). 127 refs, 4 figs

Competition between Bose-Einstein Condensation and Spin Dynamics.

Science.gov (United States)

Naylor, B; Brewczyk, M; Gajda, M; Gorceix, O; Maréchal, E; Vernac, L; Laburthe-Tolra, B

2016-10-28

We study the impact of spin-exchange collisions on the dynamics of Bose-Einstein condensation by rapidly cooling a chromium multicomponent Bose gas. Despite relatively strong spin-dependent interactions, the critical temperature for Bose-Einstein condensation is reached before the spin degrees of freedom fully thermalize. The increase in density due to Bose-Einstein condensation then triggers spin dynamics, hampering the formation of condensates in spin-excited states. Small metastable spinor condensates are, nevertheless, produced, and they manifest in strong spin fluctuations.

21 CFR 886.1380 - Diagnostic condensing lens.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Diagnostic condensing lens. 886.1380 Section 886...) MEDICAL DEVICES OPHTHALMIC DEVICES Diagnostic Devices § 886.1380 Diagnostic condensing lens. (a) Identification. A diagnostic condensing lens is a device used in binocular indirect ophthalmoscopy (a procedure...

The dynamics of Affleck-Dine condensate collapse

International Nuclear Information System (INIS)

Enqvist, Kari; McDonald, John

2000-01-01

In the MSSM, cosmological scalar field condensates formed along flat directions of the scalar potential (Affleck-Dine condensates) are typically unstable with respect to formation of Q-balls, a type of non-topological soliton. We consider the dynamical evolution of the Affleck-Dine condensate in the MSSM. We discuss the creation and linear growth, in F- and D-term inflation models, of the quantum seed perturbations which in the non-linear regime catalyse the collapse of the condensate to non-topological soliton lumps. We study numerically the evolution of the collapsing condensate lumps and show that the solitons initially formed are not in general Q-balls, but Q-axitons, a pseudo-breather which can have very different properties from Q-balls of the same charge. We calculate the energy and charge radiated from a spherically symmetric condensate lump as it evolves into a Q-axiton. We also discuss the implications for baryogenesis and dark matter

Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads

KAUST Repository

Whited, Matthew T.; Patel, Niral M.; Roberts, Sean T.; Allen, Kathryn; Djurovich, Peter I.; Bradforth, Stephen E.; Thompson, Mark E.

2012-01-01

We report the synthesis and characterization of symmetric BODIPY dyads where the chromophores are attached at the meso position, using either a phenylene bridge or direct linkage. Both molecules undergo symmetry-breaking intramolecular charge transfer in the excited state, and the directly linked dyad serves as a visible-light-absorbing analogue of 9,9′-bianthryl.

A study on passive containment cooling condensers in SBWR

International Nuclear Information System (INIS)

Kuran, S.; Soekmen; C. N.

2001-01-01

The passive containment cooling condensers (PCCC) are the crucial part of several new reactor designs, like European Simplified Boiling Water Reactor (ESBWR) and the SBWR. In a hypothetical accident, the pressurised steam non-condensable mixture from drywell is condensed in PCCCs, and condensate is returned to reactor vessel while non-condensable is vented through wet well. In this study, in order to examine the performance of PCCCs, condensation with presence of noncondensable is investigated. Condensation with different noncondensable types and conditions is studied on a PCCC model, which is developed by using RELAP5 Mod3.2 computer code

Environment-sensitive quinolone demonstrating long-lived fluorescence and unusually slow excited-state intramolecular proton transfer kinetics

Czech Academy of Sciences Publication Activity Database

Zamotaiev, O. M.; Shvadchak, Volodymyr; Sych, T. P.; Melnychuk, N. A.; Yushchenko, Dmytro A.; Mely, Y.; Pivovarenko, V. G.

2016-01-01

Roč. 4, č. 3 (2016), č. článku 034004. ISSN 2050-6120 Institutional support: RVO:61388963 Keywords : quinolone * fluorescent probes * local polarity * hydration * excited-state intramolecular proton transfer * kinetics Subject RIV: CC - Organic Chemistry Impact factor: 2.656, year: 2016

Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

International Nuclear Information System (INIS)

Li, Tsung-Lung; Lu, Wen-Cai

2016-01-01

The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li 1 Rub and Na 1 Rub) isomers are investigated and compared with monopotassium-rubrene (K 1 Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li 1 Rub and Na 1 Rub are intercalated structures, whereas the minimum-energy K 1 Rub is adsorbed. The fact that the intercalated Li 1 Rub and Na 1 Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li 1 Rub/Na 1 Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K 1 Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li 1 Rub/Na 1 Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of distributing over the central two fused rings than over the outer two

Intramolecular carbenoid ylide forming reactions of 2-diazo-3-keto-4-phthalimidocarboxylic esters derived from methionine and cysteine

Directory of Open Access Journals (Sweden)

Marc Enßle

2012-03-01

Full Text Available Methionine, S-benzylcysteine and S-allylcysteine were converted into 2-diazo-3-oxo-4-phthalimidocarboxylic esters 8a–c in three steps. Upon rhodium-catalysed dediazoniation, two intramolecular carbenoid reactions competed, namely the formation of a cyclic sulfonium ylide and that of a six-ring carbonyl ylide. The S-methyl and S-benzyl ylides 12a and b could be isolated, while S-allyl ylide 12c underwent a [2,3]-sigmatropic rearrangement. The short-lived carbonyl ylides derived from methionine and S-benzylcysteine formed head-to-tail dimers by a [3 + 3]-cycloaddition and could be trapped with external dipolarophiles, while the S-allyl derivative 14c yielded the pentacyclic compound 17 by an intramolecular [3 + 2]-cycloaddition reaction.

An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.

Science.gov (United States)

DeKorver, Kyle A; Hsung, Richard P; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C

2012-06-15

A cascade of Pd-catalyzed N-to-C allyl transfer-intramolecular ketenimine-[2 + 2] cycloadditions of N-allyl ynamides is described. This tandem sequence is highly stereoselective and the [2 + 2] cycloaddition could be rendered in a crossed or fused manner depending on alkene substitutions, leading to bridged and fused bicycloimines.

Coherence and chaos in condensed matter

International Nuclear Information System (INIS)

Bishop, A.R.

1989-01-01

This paper discusses the following topics: nonlinearity in condensed matter; coherence and chaos in spatially extended condensed matter systems; nonlinearity and magnetism; and solitons and conducting polymers. 52 refs., 7 figs

On the intramolecular origin of the blue shift of A-H stretching frequencies: triatomic hydrides HAX.

Science.gov (United States)

Karpfen, Alfred; Kryachko, Eugene S

2009-04-30

A series of intermolecular complexes formed between the triatomic hydrides HAX and various interaction partners are investigated computationally aiming (1) to demonstrate that either an appearance or nonappearance of a blue shift of the A-H stretching frequency is directly related to the sign of the intramolecular coupling that exists between the two degrees of freedom, the A-H and A-X bond lengths, and (2) to offer the following conjecture: the theoretical protonation of a triatomic neutral molecule HAX at the site X is a simple and rather efficient probe of a red or blue shift that the stretching frequency nu(A-H) undergoes upon complex formation regardless of whether this bond is directly involved in hydrogen bonding or not. In other words, to predict whether this A-H bond is capable to display a blue or red shift of nu(A-H), it suffices to compare the equilibrium structures and vibrational spectra of a given molecule with its protonated counterpart. The two above goals are achieved invoking a series of 11 triatomic molecules: HNO, HSN, HPO, and HPS characterized by a negative intramolecular coupling; HON and HNS as intermediate cases; and HOF, HOCl, HCN, HNC, and HCP with a positive intramolecular coupling. For these purposes, the latter molecules are investigated at the MP2/6-311++G(2p,2d) level in the neutral and protonated HAXH(+) forms as well as their complexes with H(2)O and with the fluoromethanes H(3)CF, H(2)CF(2), and HCF(3).

Molecular simulation of steady-state evaporation and condensation in the presence of a non-condensable gas

Science.gov (United States)

Liang, Zhi; Keblinski, Pawel

2018-02-01

Using molecular dynamics simulations, we study evaporation and condensation of fluid Ar in the presence of a non-condensable Ne gas in a nanochannel. The evaporation and condensation are driven by the temperature difference, ΔTL, between the evaporating and condensing liquid surfaces. The steady-state evaporation and condensation fluxes (JMD) are also affected by the Ne concentration, ρNe, and the nanochannel length. We find that across a wide range of ΔTL and ρNe, JMD is in good agreement with the prediction from Stefan's law and from Schrage relationships. Furthermore, for ΔTL less than ˜20% of the absolute average temperature, we find that both steady-state heat and mass fluxes are proportional to ΔTL. This allows us to determine the interfacial resistance to the heat and mass transfer and compare it with the corresponding resistances in the gas phase. In this context, we derive an analytical expression for the effective thermal conductivity of the gas region in the nanochannel and the mass transport interfacial resistance equivalent length, i.e., the length of the nanochannel for which the resistance to the mass flow is the same as the interfacial resistance to the mass flow.

Fe(II)/Fe(III)-Catalyzed Intramolecular Didehydro-Diels-Alder Reaction of Styrene-ynes.

Science.gov (United States)

Mun, Hyeon Jin; Seong, Eun Young; Ahn, Kwang-Hyun; Kang, Eun Joo

2018-02-02

The intramolecular didehydro-Diels-Alder reaction of styrene-ynes was catalyzed by Fe(II) and Fe(III) to produce various naphthalene derivatives under microwave heating conditions. Mechanistic calculations found that the Fe(II) catalyst activates the styrenyl diene in an inverse-electron-demand Diels-Alder reaction, and the consecutive dehydrogenation reaction can be promoted by either Fe(II)-catalyzed direct dehydrogenation or an Fe(III)-catalyzed rearomatization/dehydrogenation pathway.

The phase transition to an inhomogeneous condensate state

International Nuclear Information System (INIS)

Voskresensky, D.N.

1984-01-01

The Lagrangian (free energy) of the model with a complex scalar order parameter in which the phase transition to an inhomogeneous condensate state exists is constructed in the coordinate representation. In the case of condensation of charged particles (for example paired electrons) interaction with the electromagnetic field is included. The excitation spectrum in the presence of the condensate is found. The oscillations are strongly anisotropic. It is shown that superfluidity is absent for an uncharged system but that the charged one has the property of superconductivity. The important role of thermal fluctuations is demonstrated. They drastically change the behaviour of the condensate system. The condensation in a finite system is considered. A study is carried out for the behaviour of an inhomogeneous condensate in magnetic field. It is shown that the inhomogeneous condensate is a type II superconductor with Ginzburg-Landau parameter kappa >> 1, but that the structure of the mixed state of the system is unusual - consisting of plane layers of the normal phase, when Hsub(c1)< H< H'sub(c2). The distribution of condensate in the strong magnetic field H'sub(c2)< H< Hsub(c2) is also studied. (Auth.)

Deepak Condenser Model (DeCoM)

Science.gov (United States)

Patel, Deepak

2013-01-01

Development of the DeCoM comes from the requirement of analyzing the performance of a condenser. A component of a loop heat pipe (LHP), the condenser, is interfaced with the radiator in order to reject heat. DeCoM simulates the condenser, with certain input parameters. Systems Improved Numerical Differencing Analyzer (SINDA), a thermal analysis software, calculates the adjoining component temperatures, based on the DeCoM parameters and interface temperatures to the radiator. Application of DeCoM is (at the time of this reporting) restricted to small-scale analysis, without the need for in-depth LHP component integrations. To efficiently develop a model to simulate the LHP condenser, DeCoM was developed to meet this purpose with least complexity. DeCoM is a single-condenser, single-pass simulator for analyzing its behavior. The analysis is done based on the interactions between condenser fluid, the wall, and the interface between the wall and the radiator. DeCoM is based on conservation of energy, two-phase equations, and flow equations. For two-phase, the Lockhart- Martinelli correlation has been used in order to calculate the convection value between fluid and wall. Software such as SINDA (for thermal analysis analysis) and Thermal Desktop (for modeling) are required. DeCoM also includes the ability to implement a condenser into a thermal model with the capability of understanding the code process and being edited to user-specific needs. DeCoM requires no license, and is an open-source code. Advantages to DeCoM include time dependency, reliability, and the ability for the user to view the code process and edit to their needs.

Vibrational spectroscopy and intramolecular energy transfer in isocyanic acid (HNCO)

International Nuclear Information System (INIS)

Coffey, M.J.; Berghout, H.L.; Woods, E. III; Crim, F.F.

1999-01-01

Room temperature photoacoustic spectra in the region of the first through the fourth overtones (2ν 1 to 5ν 1 ) and free-jet action spectra of the second through the fourth overtones (3ν 1 to 5ν 1 ) of the N - H stretching vibration permit analysis of the vibrational and rotational structure of HNCO. The analysis identifies the strong intramolecular couplings that control the early stages of intramolecular vibrational energy redistribution (IVR) and gives the interaction matrix elements between the zero-order N - H stretching states and the other zero-order states with which they interact. The experimentally determined couplings and zero-order state separations are consistent with ab initio calculations of East, Johnson, and Allen [J. Chem. Phys. 98, 1299 (1993)], and comparison with the calculation identifies the coupled states and likely interactions. The states most strongly coupled to the pure N - H stretching zero-order states are ones with a quantum of N - H stretching excitation (ν 1 ) replaced by different combinations of N - C - O asymmetric or symmetric stretching excitation (ν 2 or ν 3 ) and trans-bending excitation (ν 4 ). The two strongest couplings of the nν 1 state are to the states (n-1)ν 1 +ν 2 +ν 4 and (n-1)ν 1 +ν 3 +2ν 4 , and sequential couplings through a series of low order resonances potentially play a role. The analysis shows that if the pure N - H stretch zero-order state were excited, energy would initially flow out of that mode into the strongly coupled mode in 100 fs to 700 fs, depending on the level of initial excitation. copyright 1999 American Institute of Physics

Condensing and water supplying systems in an atomic power plant

International Nuclear Information System (INIS)

Shinmura, Akira.

1975-01-01

Object: To reduce heat loss and eliminate accumulation of drain in water supplying and heating units in an atomic power plant by providing a direct contact type drain cooler between a gland-exhauster vapor condenser and a condensing and de-salting means, the drain from each water supplying and heating unit being collected in said cooler for heating the condensed water. Structure: Condensed water from a condenser is fed by a low pressure condensing pump through an air ejector and gland-exhauster vapor condenser to the direct-contact type drain cooler and is condensed in each water supply heater. Next, it is heated by drain fed through a drain level adjuster valve and an orifice and then forced by a medium pressure condenser pump into the condensing and de-salting means. It is then supplied by a high pressure condensing pump into the successive water supply heater. (Kamimura, M.)

Molecular Dynamics Simulation of Barnase: Contribution of Noncovalent Intramolecular Interaction to Thermostability

Directory of Open Access Journals (Sweden)

Zhiguo Chen

2013-01-01

Full Text Available Bacillus amyloliquefaciens ribonuclease Barnase (RNase Ba is a 12 kD (kilodalton small extracellular ribonuclease. It has broad application prospects in agriculture, clinical medicine, pharmaceutical, and so forth. In this work, the thermal stability of Barnase has been studied using molecular dynamics simulation at different temperatures. The present study focuses on the contribution of noncovalent intramolecular interaction to protein stability and how they affect the thermal stability of the enzyme. Profiles of root mean square deviation and root mean square fluctuation identify thermostable and thermosensitive regions of Barnase. Analyses of trajectories in terms of secondary structure content, intramolecular hydrogen bonds and salt bridge interactions indicate distinct differences in different temperature simulations. In the simulations, Four three-member salt bridge networks (Asp8-Arg110-Asp12, Arg83-Asp75-Arg87, Lys66-Asp93-Arg69, and Asp54-Lys27-Glu73 have been identified as critical salt bridges for thermostability which are maintained stably at higher temperature enhancing stability of three hydrophobic cores. The study may help enlighten our knowledge of protein structural properties, noncovalent interactions which can stabilize secondary peptide structures or promote folding, and also help understand their actions better. Such an understanding is required for designing efficient enzymes with characteristics for particular applications at desired working temperatures.

Keeping condensers clean

Energy Technology Data Exchange (ETDEWEB)

Wicker, K.

2006-04-15

The humble condenser is among the biggest contributors to a steam power plant's efficiency. But although a clean condenser can provide great economic benefit, a dirty one can raise plant heat rate, resulting in large losses of generation revenue and/or unnecessarily high fuel bills. Conventional methods for cleaning fouled tubes range form chemicals to scrapers to brushes and hydro-blasters. This article compares the available options and describes how one power station, Omaha Public Power District's 600 MW North Omaha coal-fired power station, cleaned up its act. The makeup and cooling water of all its five units comes from the Missouri River. 6 figs.

Systematic text condensation: a strategy for qualitative analysis.

Science.gov (United States)

Malterud, Kirsti

2012-12-01

To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies. Giorgi's psychological phenomenological analysis is the point of departure and inspiration for systematic text condensation. The basic elements of Giorgi's method and the elaboration of these in systematic text condensation are presented, followed by a detailed description of procedures for analysis according to systematic text condensation. Finally, similarities and differences compared with other frequently applied methods for qualitative analysis are identified, as the foundation of a discussion of strengths and limitations of systematic text condensation. Systematic text condensation is a descriptive and explorative method for thematic cross-case analysis of different types of qualitative data, such as interview studies, observational studies, and analysis of written texts. The method represents a pragmatic approach, although inspired by phenomenological ideas, and various theoretical frameworks can be applied. The procedure consists of the following steps: 1) total impression - from chaos to themes; 2) identifying and sorting meaning units - from themes to codes; 3) condensation - from code to meaning; 4) synthesizing - from condensation to descriptions and concepts. Similarities and differences comparing systematic text condensation with other frequently applied qualitative methods regarding thematic analysis, theoretical methodological framework, analysis procedures, and taxonomy are discussed. Systematic text condensation is a strategy for analysis developed from traditions shared by most of the methods for analysis of qualitative data. The method offers the novice researcher a process of intersubjectivity, reflexivity, and feasibility, while maintaining a responsible level of methodological rigour.

Heat conduction in chain polymer liquids: molecular dynamics study on the contributions of inter- and intramolecular energy transfer.

Science.gov (United States)

Ohara, Taku; Yuan, Tan Chia; Torii, Daichi; Kikugawa, Gota; Kosugi, Naohiro

2011-07-21

In this paper, the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids are discussed, based on the results observed in molecular dynamics simulations. Linear n-alkanes, which are typical polymer molecules, were chosen as the target of our studies. Non-equilibrium molecular dynamics simulations of bulk liquid n-alkanes under a constant temperature gradient were performed. Saturated liquids of n-alkanes with six different chain lengths were examined at the same reduced temperature (0.7T(c)), and the contributions of inter- and intramolecular energy transfer to heat conduction flux, which were identified as components of heat flux by the authors' previous study [J. Chem. Phys. 128, 044504 (2008)], were observed. The present study compared n-alkane liquids with various molecular lengths at the same reduced temperature and corresponding saturated densities, and found that the contribution of intramolecular energy transfer to the total heat flux, relative to that of intermolecular energy transfer, increased with the molecular length. The study revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along the stiff intramolecular bonds. This finding implies a connection between anisotropic thermal conductivity and the orientation of molecules in various organized structures with long polymer molecules aligned in a certain direction, which includes confined polymer liquids and self-organized structures such as membranes of amphiphilic molecules in water.

QTAIM and Stress Tensor Characterization of Intramolecular Interactions Along Dynamics Trajectories of a Light-Driven Rotary Molecular Motor.

Science.gov (United States)

Wang, Lingling; Huan, Guo; Momen, Roya; Azizi, Alireza; Xu, Tianlv; Kirk, Steven R; Filatov, Michael; Jenkins, Samantha

2017-06-29

A quantum theory of atoms in molecules (QTAIM) and stress tensor analysis was applied to analyze intramolecular interactions influencing the photoisomerization dynamics of a light-driven rotary molecular motor. For selected nonadiabatic molecular dynamics trajectories characterized by markedly different S 1 state lifetimes, the electron densities were obtained using the ensemble density functional theory method. The analysis revealed that torsional motion of the molecular motor blades from the Franck-Condon point to the S 1 energy minimum and the S 1 /S 0 conical intersection is controlled by two factors: greater numbers of intramolecular bonds before the hop-time and unusually strongly coupled bonds between the atoms of the rotor and the stator blades. This results in the effective stalling of the progress along the torsional path for an extended period of time. This finding suggests a possibility of chemical tuning of the speed of photoisomerization of molecular motors and related molecular switches by reshaping their molecular backbones to decrease or increase the degree of coupling and numbers of intramolecular bond critical points as revealed by the QTAIM/stress tensor analysis of the electron density. Additionally, the stress tensor scalar and vector analysis was found to provide new methods to follow the trajectories, and from this, new insight was gained into the behavior of the S 1 state in the vicinity of the conical intersection.

The effect of non-condensable gas on direct contact condensation of steam/air mixture

International Nuclear Information System (INIS)

Lee, H. C.; Park, S. K.; Kim, M. H.

1998-01-01

To investigate the effects of noncondensable gas on the direct contact film condensation of vapor mixture, a series of experiments has been carried out. The rectangular duct inclined 87.deg. to the horizontal plane was used for this experiment. The average heat transfer coefficient of the steam-air mixture was obtained at the atmospheric pressure with four main parameters, air-mass fraction, vapor velocity, film Reynolds number,and the degree of water film subcooling having an influence on the condensation heat transfer coefficient. With the analysis on 88 cases of experiments, a correlation of the average Nusselt number for direct contact film condensation of steam-air mixture at a vertical wall proposed as functions of film Reynolds number, mixture Reynolds number, air mass fraction, and Jacob number. The average heat transfer coefficient for steam-air mixture condensation decreased significantly while air mass fraction increases with the same inlet mixture velocity and inlet film temperature. The average heat transfer coefficients also decreased with the degree of film subcooling increasing and were scarcely affected by film Reynolds number below the mixture Reynolds number about 30,000

Some issues in the ghost condensation scenario

International Nuclear Information System (INIS)

Anisimov, A.

2004-01-01

In the recently proposed 'ghost condensation' scenario a model of consistent infrared modification of gravity was suggested. We first review the basic ideas of this scenario. We discuss various phenomenological aspects of the ghost condensation, such as stability of the condensate, bounds on the UV cut-off scale of the corresponding effective field theory and other issues. (author)

Thermodynamic entanglement of magnonic condensates

Science.gov (United States)

Yuan, H. Y.; Yung, Man-Hong

2018-02-01

Over the past decade, significant progress has been achieved to create Bose-Einstein condensates (BECs) of magnetic excitations, i.e., magnons, at room temperature, which is a novel quantum many-body system with a strong spin-spin correlation, and contains potential applications in magnonic spintronics. For quantum information science, the magnonic condensates can become an attractive source of quantum entanglement, which plays a central role in most of the quantum information processing tasks. Here we theoretically study the entanglement properties of a magnon gas above and below the condensation temperature. We show that the thermodynamic entanglement of the spins is a manifestation of the off-diagonal long-range order; the entanglement of the condensate does not vanish, even if the spins are separated by an infinitely long distance, which is fundamentally distinct from the normal magnetic ordering below the Curie temperature. In addition, the phase-transition point occurs when the derivative of the entanglement changes abruptly. These results provide a theoretical foundation for a future investigation of the magnon BEC in terms of quantum entanglement.

TRACE assessment on local condensation heat transfer in presence of non-condensable gas inside a vertical tube

Energy Technology Data Exchange (ETDEWEB)

Cho, Yong Jin; Ahn, Seung Hoon; Kim, Kap; Kim, Hho Jung [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2009-07-01

TRACE assessment was performed to investigate local condensation heat transfer coefficients in the presence of a noncondensable gas inside a vertical tube. The data obtained from pure steam and steam/nitrogen mixture condensation experiments were compared to study the effects of noncondensable nitrogen gas on the annular film condensation phenomena. The condenser tube had a small inner diameter of 13mm (about 1/2-in.) and this experiment had been performed to prove the effectiveness of the a Passive Residual Heat Removal System (PRHRS) of SMART (System-integrated Modular Advanced ReacTor), which is a small modular integral-type pressurized water reactor that is developed for the dual purposes of seawater desalination and small-scaled power generation. In the case of nitrogen presence, TRACE results show the converged results but the prediction is different from experimental data. The candidate reasons can be focused on several models, such as the film thickness calculation, surface area, and condensation heat transfer correlations, etc. In the case of pure steam condensation case, TRACE results shows large oscillations and do not converge. This should be investigated in detail to identify the reason. Until now, the oscillation in thermal hydraulic parameters results from the film thickness calculation and surface area calculation. For future works, the whole sets of the experiment will be assessed and the improvement of TRACE will be performed.

TRACE assessment on local condensation heat transfer in presence of non-condensable gas inside a vertical tube

International Nuclear Information System (INIS)

Cho, Yong Jin; Ahn, Seung Hoon; Kim, Kap; Kim, Hho Jung

2009-01-01

TRACE assessment was performed to investigate local condensation heat transfer coefficients in the presence of a noncondensable gas inside a vertical tube. The data obtained from pure steam and steam/nitrogen mixture condensation experiments were compared to study the effects of noncondensable nitrogen gas on the annular film condensation phenomena. The condenser tube had a small inner diameter of 13mm (about 1/2-in.) and this experiment had been performed to prove the effectiveness of the a Passive Residual Heat Removal System (PRHRS) of SMART (System-integrated Modular Advanced ReacTor), which is a small modular integral-type pressurized water reactor that is developed for the dual purposes of seawater desalination and small-scaled power generation. In the case of nitrogen presence, TRACE results show the converged results but the prediction is different from experimental data. The candidate reasons can be focused on several models, such as the film thickness calculation, surface area, and condensation heat transfer correlations, etc. In the case of pure steam condensation case, TRACE results shows large oscillations and do not converge. This should be investigated in detail to identify the reason. Until now, the oscillation in thermal hydraulic parameters results from the film thickness calculation and surface area calculation. For future works, the whole sets of the experiment will be assessed and the improvement of TRACE will be performed

Entropy generation in a condenser and related correlations

Directory of Open Access Journals (Sweden)

Askowski Rafał

2015-06-01

Full Text Available The paper presents an analysis of relations describing entropy generation in a condenser of a steam unit. Connections between entropy generation, condenser ratio, and heat exchanger effectiveness, as well as relations implied by them are shown. Theoretical considerations allowed to determine limits of individual parameters which describe the condenser operation. Various relations for average temperature of the cold fluid were compared. All the proposed relations were verified against data obtained using a simulator and actual measurement data from a 200 MW unit condenser. Based on data from a simulator it was examined how the sum of entropy rates, steam condenser effectiveness, terminal temperature difference and condenser ratio vary with the change in the inlet cooling water temperature, mass flow rate of steam and the cooling water mass flow rate.

Condensational theory of stationary tornadoes

International Nuclear Information System (INIS)

Makarieva, A.M.; Gorshkov, V.G.; Nefiodov, A.V.

2011-01-01

Using the Bernoulli integral for air streamline with condensing water vapor a stationary axisymmetric tornado circulation is described. The obtained profiles of vertical, radial and tangential velocities are in agreement with observations for the Mulhall tornado, world's largest on record and longest-lived among the three tornadoes for which 3D velocity data are available. Maximum possible vortex velocities are estimated. -- Highlights: → Water vapor condensation causes a logarithmic drop of air pressure towards tornado center. → The first ever theoretical description of tornado velocities is obtained. → The maximum vortex velocity grows logarithmically with decreasing tornado eye radius. → Air motion with high velocities can only develop in sufficiently large condensation areas.

Dynamics of inhomogeneous chiral condensates

Science.gov (United States)

Carlomagno, Juan Pablo; Krein, Gastão; Kroff, Daniel; Peixoto, Thiago

2018-01-01

We study the dynamics of the formation of inhomogeneous chirally broken phases in the final stages of a heavy-ion collision, with particular interest on the time scales involved in the formation process. The study is conducted within the framework of a Ginzburg-Landau time evolution, driven by a free energy functional motivated by the Nambu-Jona-Lasinio model. Expansion of the medium is modeled by one-dimensional Bjorken flow and its effect on the formation of inhomogeneous condensates is investigated. We also use a free energy functional from a nonlocal Nambu-Jona-Lasinio model which predicts metastable phases that lead to long-lived inhomogeneous condensates before reaching an equilibrium phase with homogeneous condensates.

Study on corrosion of thermal power plant condenser tubes

Energy Technology Data Exchange (ETDEWEB)

Mohammadi, Abdolreza Rashidi; Zhaam, Ali Akbar [Niroo Research Institute, end of Poonak Bakhtari blvd., Shahrak Ghods, Tehran (Iran)

2004-07-01

The aim of this investigation is to study kinds of corrosion mechanisms in thermal power plant condenser tubes. Condenser is a shell and tube heat exchanger in which cooling water flows through its tubes. While the steam from low pressure turbine passes within condenser tubes, it is condensed by cooling water. The exhausted steam from low pressure turbine is condensed on external surface of condenser tubes and heat is transferred to cooling water which flow into tubes. Tubes composition is usually copper-based alloys, stainless steel or titanium. Annual damages due to corrosion cause much cost for replacement and repairing metallic equipment and installations in electric power industry. Because of existence of different contaminants in water and steam cycle, condenser tubes surfaces are exposed to corrosion. Contaminants like oxygen, carbon dioxide, chloride ion and ammonia in water and steam cycle originate several damages such as pitting and crevice corrosion, erosion, galvanic attack, SCC, condensed corrosion, de-alloying in thermal power plant condenser. The paper first states how corrosion damage takes place in condensers and then introduces types of usual alloys used in condensers and also their corrosion behavior. In continuation, a brief explanation is presented about kinds of condenser failures due to corrosion. Then, causes and locations of different mechanisms of corrosion events on condenser tubes and effects of different parameters such as composition, temperature, chloride and sulfide ion concentration, pH, water velocity and biological precipitation are examined and finally protection methods are indicated. Also some photos of tubes specimens related to power plants are studied and described in each case of mentioned mechanisms. (authors)

Strangeness condensation and ''clearing'' of the vacuum

International Nuclear Information System (INIS)

Brown, G.E.; Kubodera, Kuniharu; Rho, M.; State Univ. of New York, Stony Brook

1987-01-01

We show that a substantial amount of strange quark-antiquark pair condensates in the nucleon required by the πN sigma term implies that kaons could condense in nuclear matter at a density about three times that of normal nuclear matter. This phenomenon can be understood as the ''cleansing'' of qanti q condensates from the QCD vacuum by a dense nuclear matter, resulting in a (partial) restoration of the chiral symmetry explicitly broken in the vacuum. It is suggested that the condensation signals a new phase distinct from that of quark plasma and that of ordinary dense hadronic matter. (orig.)

Status of the full scale component testing of the KERENA TM emergency condenser and Containment Cooling Condenser

International Nuclear Information System (INIS)

Leyer, S.; Maisberger, F.; Herbst, V.; Doll, M.; Wich, M.; Wagner, T.

2010-01-01

KERENA TM (SWR1000) is an innovative boiling water reactor concept with passive safety systems. In order to verify the functionality of the passive components required for the transient and accident management, the test facility INKA (Integral-Versuchstand Karlstein) is build in Karlstein (Germany). The key elements of the KERENA TM passive safety concept -the Emergency Condenser, the Containment Cooling Condenser, the Passive Core Flooding System and the Passive Pressure Pulse Transmitter - will be tested at INKA. The Emergency Condenser system transfers heat from the reactor pressure vessel to the core flooding pools of the containment. The heat introduced into the containment during accidents will be transferred to the main heat sink for passive accident management (Shielding/Storage Pool) via the Containment Cooling Condensers. Therefore both systems are part of the passive cooling chain connecting the heat source RPV (Reactor Pressure Vessel) with the heat sink. At the INKA test facility both condensers are tested in full scale setup, in order to determine the heat transfer capacity as function of the main input parameters. For the EC these are the RPV pressure, the RPV water level, the containment pressure and the water temperature of the flooding pools. For the Containment Cooling Condenser the heat transfer capacity is a function of the containment pressure, the water temperature of the Shielding/Storage Pool and the fraction of non -condensable gases in the containment. The status of the test program and the available test data will be presented. An outlook of the future test of the passive core flooding system and the integral system test including also the passive pressure pulse transmitter will be given. (authors)

A Preliminary Study of Transverse Curvature Effects on Condensation Heat Transfer on Vertical Tube in the Presence of Non-condensable Gas

Energy Technology Data Exchange (ETDEWEB)

Lee, Yeon Gun; Kim, Sin [Jeju National Univ., Jeju (Korea, Republic of); Jerng, Dong Wook [Chung Ang Univ., Seoul (Korea, Republic of)

2013-10-15

In this study, the effect of the transverse curvature on the condensation HTC on a vertical tube in the presence of air is preliminarily investigated by using the analysis of boundary layer for free convective heat transfer. The results indicate that the heat transfer performance can be enhanced as the outer diameter of condenser tubes is small. To confirm this curvature effect, an experimental program to obtain the condensation heat transfer data for various values of tube diameter is indispensable. Currently, by a joint research project of Jeju National University and Chung-Ang University, a condensation test facility is being designed and constructed to acquire the condensation HTC data as shown in Fig. 3. From a series of experiment on a single vertical tube, the effects of not only the tube diameter but the inclination, the existence of fins and the local velocity of a bulk mixture by natural circulation will be evaluated precisely. An empirical correlation for the condensation heat transfer of a steam-air mixture will also be developed for design optimization and performance evaluation of the PCCS. The Passive Containment Cooling System (PCCS) provides passive means to remove the decay heat and protect the integrity of the containment during severe accidents. Korea, in which all the NPPs employ the concrete containment, may adopt a PCCS using internal condensers. In the event of the loss-of-coolant accident (LOCA), steam released from the reactor coolant system is mixed with air inside the containment and condensed on the outer surface of inclined condenser tubes. It is noted that, among previous theoretical and empirical models for condensation on outer wall in the presence of non-condensable gas, no one took into account the effect of a tube diameter. Though the condensation heat transfer coefficient may vary with transverse curvature of condenser tubes, such a curvature effect has not been reported so far. In this study, a preliminary analysis is conducted

A Preliminary Study of Transverse Curvature Effects on Condensation Heat Transfer on Vertical Tube in the Presence of Non-condensable Gas

International Nuclear Information System (INIS)

Lee, Yeon Gun; Kim, Sin; Jerng, Dong Wook

2013-01-01

In this study, the effect of the transverse curvature on the condensation HTC on a vertical tube in the presence of air is preliminarily investigated by using the analysis of boundary layer for free convective heat transfer. The results indicate that the heat transfer performance can be enhanced as the outer diameter of condenser tubes is small. To confirm this curvature effect, an experimental program to obtain the condensation heat transfer data for various values of tube diameter is indispensable. Currently, by a joint research project of Jeju National University and Chung-Ang University, a condensation test facility is being designed and constructed to acquire the condensation HTC data as shown in Fig. 3. From a series of experiment on a single vertical tube, the effects of not only the tube diameter but the inclination, the existence of fins and the local velocity of a bulk mixture by natural circulation will be evaluated precisely. An empirical correlation for the condensation heat transfer of a steam-air mixture will also be developed for design optimization and performance evaluation of the PCCS. The Passive Containment Cooling System (PCCS) provides passive means to remove the decay heat and protect the integrity of the containment during severe accidents. Korea, in which all the NPPs employ the concrete containment, may adopt a PCCS using internal condensers. In the event of the loss-of-coolant accident (LOCA), steam released from the reactor coolant system is mixed with air inside the containment and condensed on the outer surface of inclined condenser tubes. It is noted that, among previous theoretical and empirical models for condensation on outer wall in the presence of non-condensable gas, no one took into account the effect of a tube diameter. Though the condensation heat transfer coefficient may vary with transverse curvature of condenser tubes, such a curvature effect has not been reported so far. In this study, a preliminary analysis is conducted

Intra-molecular selectivity of muonium towards chlorinated aromatic compounds

International Nuclear Information System (INIS)

Venkateswaran, K.; Stadlbauer, J.M.; Laing, M.E.; Klugkist, J.; Chong, D.P.; Porter, G.B.; Walker, D.C.

1994-01-01

Muon resonance studies show that muonium atoms (Mu) in ethanol add selectively to certain C-sites of aromatic compounds containing -Cl and -OH substituents. The sites chosen seem to be those carrying the lowest electron density. This helps to characterize Mu as a nucleophile in addition reactions and, in this respect, Mu differs from ordinary H-atoms. The study shows no apparent inter-molecular selectivity between a pair of aromatic solutes in an equimolar mixture, but strong intra-molecular selectivity in an ether composed of those two aromatic rings. This difference between intra- and inter-molecular selectivity is interpreted as kinetic in origin - arising from the 'caging effect' of the solvent and peculiar to reactions close to the diffusion-controlled limit. (orig.)

Code-experiment comparison on wall condensation tests in the presence of non-condensable gases-Numerical calculations for containment studies

Energy Technology Data Exchange (ETDEWEB)

Malet, J., E-mail: jeanne.malet@irsn.fr [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France); Porcheron, E.; Dumay, F.; Vendel, J. [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Steam condensation on walls has been investigated in the TOSQAN vessel. Black-Right-Pointing-Pointer Experiments on 7 different tests have been performed. Black-Right-Pointing-Pointer Different steam injections and wall temperatures are used. Black-Right-Pointing-Pointer Simulations are performed in 2D using the TONUS code. Black-Right-Pointing-Pointer Code-experiments comparisons at many different locations show a good agreement. - Abstract: During the course of a severe Pressurized Water Reactor accident, pressurization of the containment occurs and hydrogen can be produced by the reactor core oxidation and distributed in the containment according to convection flows and wall condensation. Filmwise wall condensation in the presence of non-condensable gases is a subject of many interests and extensive studies have been performed in the past. Some empirical correlations have demonstrated their limit for extrapolation under different thermal-hydraulic conditions and at different geometries/scales. The French Institute for Radiological Protection and Nuclear Safety (IRSN) has developed a numerical tool and an experimental facility in order to investigate free convection flows in the presence of condensation. The objective of this paper is to present numerical results obtained on different wall condensation tests in 7 m{sup 3} volume vessel (TOSQAN facility), and to compare them with the experimental ones. Over eight tests are considered here, and code-experiment comparison is performed on many different locations, giving an extensive insight of the code assessment for air-steam mixture flows involving wall condensation in the presence of non-condensable gases.

Intramolecular anionic diels-alder reactions of 1-aryl-4-oxahepta-1,6-diyne systems in DMSO.

Science.gov (United States)

Kudoh, Takayuki; Mori, Tomoko; Shirahama, Mitsuhito; Yamada, Masashi; Ishikawa, Teruhiko; Saito, Seiki; Kobayashi, Hisayoshi

2007-04-25

Base-promoted cycloaddition reactions of 1-aryl- or 1-aryl-7-substituted-4-oxahepta-1,6-diyne systems in DMSO have proven to involve an anionic intramolecular Diels-Alder process taking place even at room temperature in spite of the reaction suffering from temporary disruption of aromaticity. Although initially formed alpha-arylallenide anion can be protonated by DMSO, it can be back to the allenide anion probably because of a small acidity difference between alpha-arylallene and DMSO. The alpha-arylallenide anion in combination with the alpha-aryl substituent can constitute an anionic diene structure that undergoes the intramolecular Diels-Alder reaction involving the C(6)-yne part, a very fast process probably because of the increased HOMO-1 level of the anionic diene, as shown by DFT calculations. Diversified substituted naphthalenes, benzofurans, phenanthrenes, and quinolines, including biaryl architectures, are available from 4-oxahepta-1,6-diynes in a highly expeditious way.

On Hydrogen Bonding in the Intramolecularly Chelated Taitomers of Enolic Malondialdehyde and its Mono- and Dithio-Analogues

DEFF Research Database (Denmark)

Carlsen, Lars; Duus, Fritz

1980-01-01

The intramolecular hydrogen bondings in enolic malondialdehyde and it mono- and dithio-analogues have been evaluated by a semiempricial SCF–MO–CNDO method. The calculations predict that the hydrogen bonds play an important part in the stabilities of malondialdehyde and monothiomalondialdehyde...

An efficient and green synthesis of 1-indanone and 1-tetralone via intramolecular Friedel-Crafts acylation reaction

DEFF Research Database (Denmark)

Tran, Phuong Hoang; Huynh, Vy Hieu; Hansen, Poul Erik

2015-01-01

Metal-triflate-catalyzed intramolecular Friedel–Crafts acylation of 3-arylpropanoic and 4-arylbutanoic acids in triflate-anion ionic liquids under monomodal microwave irradiation is reported. The environmentally benign synthetic procedure allows the formation of cyclic ketones in good yields with...

Estimation of the Influence of Operational Factors on the Oxygen Content of the Turbine Condensate at the Outlet from the Condenser of Steam Turbine

Directory of Open Access Journals (Sweden)

Shempelev A. G.

2017-08-01

Full Text Available The aim of the article is to analyze the influence of different factors on the oxygen content in the condensate using the example of the condenser of the steam turbine unit T-110/120-130. For the first time, the authors of the article analyze in details how the basic parameters of the condenser's operation (the condenser heat load, the flow and temperature of the cooling water, the air inflow in the condenser, the condition of the heat exchange surface influence the oxygen content of the condensate. The authors come to the conclusion that with standard air inflow in the vacuum system, the equilibrium oxygen content, which corresponds to the norms in the condensate at the condenser outlet, is only possible in its operation modes when the steam flow to the condenser is more than 50% of the nominal flow and cooling water temperatures are equal to or greater than calculated for this type of condenser. The conclusions are confirmed by the experimental material. The results of the research are the basis for the development of measures aimed to increase the deaerating capacity of condensers depending on specific operating conditions.

Vortices in trapped Bose-Einstein condensates

International Nuclear Information System (INIS)

Jackson, B.

2000-09-01

In this thesis we solve the Gross-Pitaevskii equation numerically in order to model the response of trapped Bose-Einstein condensed gases to perturbations by electromagnetic fields. First, we simulate output coupling of pulses from the condensate and compare our results to experiments. The excitation and separation of eigenmodes on flow through a constriction is also studied. We then move on to the main theme of this thesis: the important subject of quantised vortices in Bose condensates, and the relation between Bose-Einstein condensation and superfluidity. We propose methods of producing vortex pairs and rings by controlled motion of objects. Full three-dimensional simulations under realistic experimental conditions are performed in order to test the validity of these ideas. We link vortex formation to drag forces on the object, which in turn is connected with energy transfer to the condensate. We therefore argue that vortex formation by moving objects is intimately related to the onset of dissipation in superfluids. We discuss this idea in the context of a recent experiment, using simulations to provide evidence of vortex formation in the experimental scenario. Superfluidity is also manifest in the property of persistent currents, which is linked to vortex stability and dynamics. We simulate vortex line and ring motion, and find in both cases precessional motion and thermodynamic instability to dissipation. Strictly speaking, the Gross-Pitaevskii equation is valid only for temperatures far below the BEC transition. We end the thesis by describing a simple finite-temperature model to describe mean-field coupling between condensed and non-condensed components of the gas. We show that our hybrid Monte-Carlo/FFT technique can describe damping of the lowest energy excitations of the system. Extensions to this model and future research directions are discussed in the conclusion. (author)

Analysis of experiments for vertical out-tube steam condensation in presence of non-condensable gases

International Nuclear Information System (INIS)

Su Jiqiang; Sun Zhongning; Fan Guangming; Guo Zixuan

2014-01-01

In order to investigate the influence of various parameters in the steam condensation heat transfer process with non-condensable gas, and to get a more suitable empirical correlation, the wall under-cooling, pressure and the content of non-condensable gas were studied outside a vertical tube by experiments. The results showed that: at the same pressure, the relationship between wall sub-cooling and HTC is exponential, and helium stratification does not happen within the experimental range. Based on the analysis of various experimental variables, combined with a large number of experimental data, a wider scope of application of the empirical correlation associated is obtained with the experimental value of the error within ±20%. (authors)

Continuous condensation device for vapors in the atmosphere

International Nuclear Information System (INIS)

Tricot, M.

1983-01-01

The continuous condensation device for vapors from the atmosphere is such those in which this atmosphere circulates in contact with a cold source involving the condensation of these vapors. It includes a thermoelectric module using the Peltier effect; the hot side is bonded to a heat sink and the cold side is in contact with an insulated condensation chamber in which flows the atmosphere charged with vapors to be condensated. The condensation chamber has a metallic structure through which a low voltage direct current is passed; this structure has small blades with holes, through which the condensate flows under gravity in the lower part of the chamber which have a hole to evacuate this liquid. The thermoelectric module comprises an assembly of thermocouples made of an array of alloy plates. The temperature inside the condensation chamber is maintained at just above 0 0 C. This device is used for the sampling of atmosphere water especially in the determination of tritium content of the atmosphere around nuclear installations [fr

Temporal dynamics of Bose-condensed gases

Energy Technology Data Exchange (ETDEWEB)

Trujillo Martinez, Mauricio

2014-03-19

We perform a detailed quantum dynamical study of non-equilibrium trapped, interacting Bose-condensed gases. We investigate Josephson oscillations between interacting Bose-Einstein condensates confined in a finite size double-well trap and the non-trivial time evolution of a coherent state placed at the center of a two dimensional optical lattice. For the Josephson oscillations three time scales appear. We find that Josephson junction can sustain multiple undamped oscillations up to a characteristic time scale τ{sub c} without exciting atoms out of the condensates. Beyond the characteristic time scale τ{sub c} the dynamics of the junction are governed by fast, non-condensed particles assisted Josephson tunnelling as well as the collisions between non-condensed particles. In the non-condensed particles dominated regime we observe strong damping of the oscillations due to inelastic collisions, equilibrating the system leading to an effective loss of details of the initial conditions. In addition, we predict that an initially self-trapped BEC state will be destroyed by these fast dynamics. The time evolution of a coherent state released at the center of a two dimensional optical lattice shows a ballistic expansion with a decreasing expansion velocity for increasing two-body interactions strength and particle number. Additionally, we predict that if the two-body interactions strength exceeds a certain value, a forerunner splits up from the expanding coherent state. We also observe that this system, which is prepared far from equilibrium, can evolve to a quasistationary non-equilibrium state.

Asymmetric condensed dark matter

Energy Technology Data Exchange (ETDEWEB)

Aguirre, Anthony; Diez-Tejedor, Alberto, E-mail: aguirre@scipp.ucsc.edu, E-mail: alberto.diez@fisica.ugto.mx [Santa Cruz Institute for Particle Physics and Department of Physics, University of California, Santa Cruz, CA, 95064 (United States)

2016-04-01

We explore the viability of a boson dark matter candidate with an asymmetry between the number densities of particles and antiparticles. A simple thermal field theory analysis confirms that, under certain general conditions, this component would develop a Bose-Einstein condensate in the early universe that, for appropriate model parameters, could survive the ensuing cosmological evolution until now. The condensation of a dark matter component in equilibrium with the thermal plasma is a relativistic process, hence the amount of matter dictated by the charge asymmetry is complemented by a hot relic density frozen out at the time of decoupling. Contrary to the case of ordinary WIMPs, dark matter particles in a condensate must be lighter than a few tens of eV so that the density from thermal relics is not too large. Big-Bang nucleosynthesis constrains the temperature of decoupling to the scale of the QCD phase transition or above. This requires large dark matter-to-photon ratios and very weak interactions with standard model particles.

Decay of non-equilibrium polariton condensate in semiconductors

International Nuclear Information System (INIS)

Beloussov, I.V.; Shvera, Y.M.

1993-08-01

Excitation dynamics of polariton quantum fluctuations arising in direct-gap semi-conductor as a result of parametric decay of non-equilibrium polariton condensate with non-zero wave vector is studied. The predominant mechanism of polariton scattering is supposed to be exciton-exciton interaction. Steady state which corresponds to the case of dynamic equilibrium between the polariton condensate and quantum fluctuations is obtained. Distribution functions of non-condensate polaritons are localized in the resonant regions, corresponding to two-particle excitation of polaritons from the condensate. The spectrum of elementary excitations in steady state coincides with usual polariton energy with the shift proportional to initial density of polariton condensate. (author). 25 refs

Biomolecular condensates: organizers of cellular biochemistry.

Science.gov (United States)

Banani, Salman F; Lee, Hyun O; Hyman, Anthony A; Rosen, Michael K

2017-05-01

Biomolecular condensates are micron-scale compartments in eukaryotic cells that lack surrounding membranes but function to concentrate proteins and nucleic acids. These condensates are involved in diverse processes, including RNA metabolism, ribosome biogenesis, the DNA damage response and signal transduction. Recent studies have shown that liquid-liquid phase separation driven by multivalent macromolecular interactions is an important organizing principle for biomolecular condensates. With this physical framework, it is now possible to explain how the assembly, composition, physical properties and biochemical and cellular functions of these important structures are regulated.

Active condensation of water by plants

Directory of Open Access Journals (Sweden)

Prokhorov Alexey Anatolievich

2013-10-01

Full Text Available This paper is devoted to some peculiarities of water condensation on the surface of plants . Arguments in support of the hypothesis that in decreasing temperature of leaves and shoots below the dew point, the plant can actively condense moisture from the air, increasing the duration of dewfall are presented. Evening dewfall on plant surfaces begins before starting the formation of fog. Morning condensation continues for some time after the air temperature exceeds the dew point . The phenomenon in question is found everywhere, but it is particularly important for plants in arid ecosystems.

Landau-Migdal parameters and pion condensation

Energy Technology Data Exchange (ETDEWEB)

Tatsumi, Toshitaka [Department of Physics, Kyoto Univ., Kyoto (Japan)

1999-08-01

The possibility of pion condensation, one of the long-standing issues in nuclear physics, is reexamined in the light of the recent experimental data on the giant Gamow-Teller resonance. The experimental result tells that the coupling of nucleon particle-hole states with {delta} isobar-hole states in the spin-isospin channel should be weaker than that previously believed. It, in turn, implies that nuclear matter has the making of pion condensation at low densities. The possibility and implications of pion condensation in the heavy-ion collisions and neutron stars should be seriously reconsidered. (author)

Titanium condenser tubes. Problems and their solution for wider application to large surface condensers. [PWR

Energy Technology Data Exchange (ETDEWEB)

Sato, S; Sugiyama, S; Nagata, K; Nanba, K; Shimono, M [Sumitomo Light Metal Industries Ltd., Tokyo (Japan)

1977-06-01

The corrosion resistance of titanium in sea water is extremely excellent, but titanium tubes are expensive, and the copper alloy tubes resistant in polluted sea water were developed, therefore they were not used practically. In 1970, ammonia attack was found on the copper alloy tubes in the air-cooled portion of condensers, and titanium tubes have been used as the countermeasure. As the result of the use, the galvanic attack on copper alloy tube plates with titanium tubes as cathode and the hydrogen absorption at titanium tube ends owing to excess electrolytic protection was observed, but the corrosion resistance of titanium tubes was perfect. These problems can be controlled by the application of proper electrolytic protection. The condensers with all titanium tubes adopted recently in USA are intended to realize perfectly no-leak condensers as the countermeasure to the corrosion in steam generators of PWR plants. Regarding large condensers of nowadays, three problems are pointed out, namely the vibration of condenser tubes, the method of joining tubes and tube plates, and the tubes of no coolant leak. These three problems in case of titanium tubes were studied, and the problem of the fouling of tubes was also examined. The intervals of supporting plates for titanium tubes should be narrowed. The joining of titanium tubes and titanium tube plates by welding is feasible and promising. The cleaning with sponge balls is effective to control fouling.

Collapsing dynamics of attractive Bose-Einstein condensates

DEFF Research Database (Denmark)

Bergé, L.; Juul Rasmussen, J.

2002-01-01

The self-similar collapse of 3D and quasi-2D atom condensates with negative scattering length is examined. 3D condensates are shown to blow up following the scenario of weak collapse, for which 3-body recombination weakly dissipates the atoms. In contrast, 2D condensates undergo a strong collapse......, that absorbs a significant amount of particles. (C) 2002 Elsevier Science B.V. All rights reserved....

Assessment of RELAP5/MOD3 with condensation experiment for pure steam condensation in a vercal tube

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang Jae; No, Hee Cheon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

1999-12-31

The film condensation models in RELAP5/MOD3.1 and RELAP5/MOD3.2 are assessed with the data of experiment performed in the scaled down condensation experimental facility with a single vertical tube of inner diameter of 46 mm in the range of pressure 0.1 {approx} 7.5 MPa for the PSCS(Passive Secondary Condenser System). Both MOD3.1 and MOD3.2 don`t shows any reliable predictions of the experimental data. The RELAP5/MOD3.1 overpredicts the heat transfer coefficients of experiment, whereas the RELAP5/MOD3.2 underpredicts those data. It is recommended that the film condensation model in RELAP5/MOD3.2 should be modified to have a larger heat transfer coefficient than those of the present model to give the reliable predictions. 7 refs., 6 figs., 1 tab. (Author)

Assessment of RELAP5/MOD3 with condensation experiment for pure steam condensation in a vercal tube

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang Jae; No, Hee Cheon [Korea Advanced Institute of Science and Technology, Taejon (Korea, Republic of)

1998-12-31

The film condensation models in RELAP5/MOD3.1 and RELAP5/MOD3.2 are assessed with the data of experiment performed in the scaled down condensation experimental facility with a single vertical tube of inner diameter of 46 mm in the range of pressure 0.1 {approx} 7.5 MPa for the PSCS(Passive Secondary Condenser System). Both MOD3.1 and MOD3.2 don`t shows any reliable predictions of the experimental data. The RELAP5/MOD3.1 overpredicts the heat transfer coefficients of experiment, whereas the RELAP5/MOD3.2 underpredicts those data. It is recommended that the film condensation model in RELAP5/MOD3.2 should be modified to have a larger heat transfer coefficient than those of the present model to give the reliable predictions. 7 refs., 6 figs., 1 tab. (Author)

Method and apparatus for controlled condensation isotope separation

International Nuclear Information System (INIS)

Sullivan, J.A.; Lee, J.T. Jr.; Kim, K.C.

1981-01-01

The invention provides a method for producing controlled homogeneous condensation of a molecular feed gas containing several isotopes. The feed gas flows at supersonic rates through an expansion nozzle under conditions at which the gas would normally condense. The gas is irradiated with laser radiation of a wavelength that selectively excites those molecules in the feed gas that contain a particular isotope, thus preventing their condensation. Condensate particles may be aerodynamically separated from the flowing gas stream

Bose-Einstein condensation and indirect excitons: a review.

Science.gov (United States)

Combescot, Monique; Combescot, Roland; Dubin, François

2017-06-01

We review recent progress on Bose-Einstein condensation (BEC) of semiconductor excitons. The first part deals with theory, the second part with experiments. This Review is written at a time where the problem of exciton Bose-Einstein condensation has just been revived by the understanding that the exciton condensate must be dark because the exciton ground state is not coupled to light. Here, we theoretically discuss this missed understanding before providing its experimental support through experiments that scrutinize indirect excitons made of spatially separated electrons and holes. The theoretical part first discusses condensation of elementary bosons. In particular, the necessary inhibition of condensate fragmentation by exchange interaction is stressed, before extending the discussion to interacting bosons with spin degrees of freedom. The theoretical part then considers composite bosons made of two fermions like semiconductor excitons. The spin structure of the excitons is detailed, with emphasis on the crucial fact that ground-state excitons are dark: indeed, this imposes the exciton Bose-Einstein condensate to be not coupled to light in the dilute regime. Condensate fragmentations are then reconsidered. In particular, it is shown that while at low density, the exciton condensate is fully dark, it acquires a bright component, coherent with the dark one, beyond a density threshold: in this regime, the exciton condensate is 'gray'. The experimental part first discusses optical creation of indirect excitons in quantum wells, and the detection of their photoluminescence. Exciton thermalisation is also addressed, as well as available approaches to estimate the exciton density. We then switch to specific experiments where indirect excitons form a macroscopic fragmented ring. We show that such ring provides efficient electrostatic trapping in the region of the fragments where an essentially-dark exciton Bose-Einstein condensate is formed at sub-Kelvin bath

Condenser Design for the Proposed AM600 NPP

Energy Technology Data Exchange (ETDEWEB)

Rahman, Md. Mizanur; Abdallah, Khaled Atya Ahmed; Field, Robert M. [KEPCO International Nuclear Graduate School, Ulsan (Korea, Republic of)

2015-10-15

The design goals are to make the condenser more robust and compact with a reduced component count. The AM600 condenser design also has new features as described below. Considering that the minimum heat sink temperature for potentially emergent nuclear countries is on the order of 21.deg. C or higher, a turbine design with a single low pressure rotor can be considered without sacrificing thermal efficiency. The condenser back pressure range for the considered markets is on the order of 2 to 3 in-HgA. With these boundary conditions, the AM600 condenser duty can be met with a single pressure zone design with a total of eight (8) titanium tube bundles (four (4) per pass) divided into four isolable sections. Due to the compact design (i.e., accepting exhaust from only one low pressure cylinder), both axial ends of the condenser are unobstructed and available for attachment of extended flash chambers, diverting inflows away from the tube bundles. The single shell design of this condenser then allows for an innovative design feature, namely the extended flash chambers. This permits the routing of dump, drain, vent, and bypass flows directly to these chambers, bypassing the condenser shell. Within the condenser shell, this design eliminates impingement plates, impingement boxes, and spargers. Failure of these components represents an ongoing source of condenser tube damage in operating nuclear units, requiring significant resources for outage inspections. The extended flash chamber approach also has a number of other advantages as delineated above.

Study on UF6 condensing receiving system improvement

International Nuclear Information System (INIS)

Zhang Zhenxing; Li Yingfeng; Li Zhenfeng; He Ping; Wang Yanping; Tian Yushan

2012-01-01

In order to improve receiving capacity of UF 6 condensing system, the pressure release mode is changed through modifying gas phase inlet of the first-grade condenser, thus pressure release time is reduced from 13.1 h to 8.1 h. Be- cause of improvement of utility condensers of the two product lines, both the flexibility of feeding nitrogen and the emergency capacity of condensers are improved greatly. And modification of fluid transferring and sampling system make the remains in system transfer flexibly. The practise shows that metal direct recovery rises to the extent, and capacity of the first-grade condensing receiving system improves 8.4%, which strongly guarantees fluorination production safely, continuously and stably run. (authors)

Condenser design for AMTEC power conversion

Science.gov (United States)

Crowley, Christopher J.

1991-01-01

The condenser and the electrodes are the two elements of an alkali metal thermal-to-electric conversion (AMTEC) cell which most greatly affect the energy conversion performance. A condenser is described which accomplishes two critical functions in an AMTEC cell: management of the fluid under microgravity conditions and optimization of conversion efficiency. The first function is achieved via the use of a controlled surface shape, along with drainage grooves and arteries to collect the fluid. Capillary forces manage the fluid in microgravity and dominate hydrostatic effects on the ground so the device is ground-testable. The second function is achieved via a smooth film of highly reflective liquid sodium on the condensing surface, resulting in minimization of parasitic heat losses due to radiation heat transfer. Power conversion efficiencies of 25 percent to 30 percent are estimated with this condenser using present technology for the electrodes.

Diastereoselective Synthesis of Novel Heterocyclic Scaffolds through Tandem Petasis 3-Component/Intramolecular Diels-Alder and ROM-RCM Reactions

DEFF Research Database (Denmark)

Ishøy, Mette; Petersen, Rico; Petersen, Michael Åxman

2017-01-01

A high-yielding, stereoselective and extraordinarily complexity generatingPetasis 3-component/intramolecular Diels-Alderreaction has been developed. In combination with ROM-RCM, rapid access to complex sp3-rich heterocyclic scaffolds amenableto subsequent functionalization and library synthesis...

Capillary Condensation in 8 nm Deep Channels.

Science.gov (United States)

Zhong, Junjie; Riordon, Jason; Zandavi, Seyed Hadi; Xu, Yi; Persad, Aaron H; Mostowfi, Farshid; Sinton, David

2018-02-01

Condensation on the nanoscale is essential to understand many natural and synthetic systems relevant to water, air, and energy. Despite its importance, the underlying physics of condensation initiation and propagation remain largely unknown at sub-10 nm, mainly due to the challenges of controlling and probing such small systems. Here we study the condensation of n-propane down to 8 nm confinement in a nanofluidic system, distinct from previous studies at ∼100 nm. The condensation initiates significantly earlier in the 8 nm channels, and it initiates from the entrance, in contrast to channels just 10 times larger. The condensate propagation is observed to be governed by two liquid-vapor interfaces with an interplay between film and bridging effects. We model the experimental results using classical theories and find good agreement, demonstrating that this 8 nm nonpolar fluid system can be treated as a continuum from a thermodynamic perspective, despite having only 10-20 molecular layers.

Condensate cosmology: Dark energy from dark matter

International Nuclear Information System (INIS)

Bassett, Bruce A.; Parkinson, David; Kunz, Martin; Ungarelli, Carlo

2003-01-01

Imagine a scenario in which the dark energy forms via the condensation of dark matter at some low redshift. The Compton wavelength therefore changes from small to very large at the transition, unlike quintessence or metamorphosis. We study cosmic microwave background (CMB), large scale structure, supernova and radio galaxy constraints on condensation by performing a four parameter likelihood analysis over the Hubble constant and the three parameters associated with Q, the condensate field: Ω Q , w f and z t (energy density and equation of state today, and redshift of transition). Condensation roughly interpolates between ΛCDM (for large z t ) and SCDM (low z t ) and provides a slightly better fit to the data than ΛCDM. We confirm that there is no degeneracy in the CMB between H and z t and discuss the implications of late-time transitions for the Lyman-α forest. Finally we discuss the nonlinear phase of both condensation and metamorphosis, which is much more interesting than in standard quintessence models

Modeling of Kerena Emergency Condenser

Science.gov (United States)

Bryk, Rafał; Schmidt, Holger; Mull, Thomas; Wagner, Thomas; Ganzmann, Ingo; Herbst, Oliver

2017-12-01

KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA) was built in Karlstein, Germany. The emergency condenser (EC) system transfers heat from the reactor pressure vessel (RPV) to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA). The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

In-stack condensible particulate matter measurement and permitting issues

International Nuclear Information System (INIS)

Corio, L.A.; Sherwell, J.

1997-01-01

Based on the results of recent epidemiological studies and assessments of the causes of visibility degradation, EPA is proposing to regulate PM2.5 emissions. PM can be classified as either filterable or condensible PM. Condensible PM includes sulfates, such as sulfuric acid. Sulfates typically account for at least half of the total dry fine PM mass in the atmosphere. Power plant SO x -based emissions make a significant contribution to ambient fine PM levels in the eastern US. Although much of this mass is derived from secondary chemical reactions in the atmosphere, a portion of this sulfate is emitted directly from stacks as condensible PM. The potential condensible PM fraction associated with coal-burning boiler emissions is somewhat uncertain. The characterization of PM emissions from these sources has been, until recently, based on in-stack filterable PM measurements only. To determine the relative magnitude of condensible PM emissions and better understand condensible PM measurement issues, a review and analysis of actual EPA Method 202 results and state-developed hybrid condensible PM methods were conducted. A review of available Method 202 results for several coal-burning boilers showed that the condensible PM, on average, comprises 60% of the total PM10. A review of recent results for state-developed measurement methods for condensible PM for numerous coal-burning boilers indicated that condensible PM accounted for, on average, approximately 49% of total PM. Caution should be exercised in the use of these results because of the seemingly unresolved issue of artifact formation, which may bias the Method 202 and state-developed methods results on the high side. Condensible PM10 measurement results and issues, and potential ramifications of including condensible PM10 emissions in the PSD permit review process are discussed. Selected power plants in Maryland are discussed as examples

Cold Vacuum Drying facility condensate collection system design description

International Nuclear Information System (INIS)

PITKOFF, C.C.

1999-01-01

This document describes the Cold Vacuum Drying Facility (CVDF) condensate collection system (CCS). The function of the CCS is to collect cooling coil condensate from air-handling units in the CVDF and to isolate the condensate in collection tanks until the condensate is determined to be acceptable to drain to the effluent drain collection basin

Condensation in Microchannels

National Research Council Canada - National Science Library

Ameel, Timothy

1999-01-01

.... Evaporators and condensers for meso-scale energy systems will most likely be constructed of microchannels due to the microfabrication constraints that limit most structures to two-dimensional planar geometries...

Condensation Analysis of Steam/Air Mixtures in Horizontal Tubes

International Nuclear Information System (INIS)

Lee, Kwon Yeong; Bae, Sung Won; Kim, Moo Hwan

2008-01-01

Perhaps the most common flow configuration in which a convective condensation occurs is a flow in a horizontal circular tube. This configuration is encountered in air-conditioning and refrigeration condensers as well as condensers in Rankine power cycles. Although a convective condensation is also sometimes contrived to occur in a co-current vertical downward flow, a horizontal flow is often preferred because the flow can be repeatedly passed through the heat exchanger core in a serpentine fashion without trapping liquid or vapor in the return bends. Many researchers have investigated a in-tube condensation for horizontal heat exchangers. However, almost all of them obtained tube section-averaged data without a noncondensable gas. Recently, Wu and Vierow have experimentally studied the condensation of steam in a horizontal heat exchanger with air present. In order to measure the condenser tube inner surface temperatures and to calculate the local heat fluxes, they developed an innovative thermocouple design that allowed for nonintrusive measurements. Here we developed a theoretical model using the heat and mass analogy to analyze a steam condensation with a noncondensable gas in horizontal tubes

Intramolecular interactions in a new tris-dithizonatocobalt(III) complex

International Nuclear Information System (INIS)

Eschwege, Karel G. von; As, Lydia van; Joubert, Chris C.; Swarts, Jannie C.; Aquino, Manuel A.S.; Cameron, T. Stanley

2013-01-01

Graphical abstract: Electrochemically Co(HDz) 3 (5), show three main ligand-based redox processes, two reductions and one oxidation. Ligand oxidations can be resolved into three components highlighting effective intramolecular interactions between molecular fragments; a spectroelectrochemical study of (5) highlighted spectroscopic changes during the six observed redox steps. - Highlights: • Comparative CV's of dithizone (1), PhHg(HDz) and new Co(HDz) 3 (5), is discussed. • One oxidation and two reductions per ligand and a Co III/II couple for (5) are observed. • Mono- and tris-coordinated PhHg(HDz) and (5) have stable metal thioether bonds. • Crystal structure details explain good resolution between ligand redox processes. • Spectro-electrochemistry of (5) highlights spectroscopic properties of redox products. - Abstract: The reactions between dithizone (H 2 Dz (1)) or potassium dithizonate (KHDz (3)), and [Co(H 2 O) 6 ] 2+ (6), in acetone or methanol to liberate tris-dithizonatocobalt(III), Co(HDz) 3 (5), are described. The structure of (5) was confirmed by single crystal X-ray analyses and shows bidentate coordination to Co III via S and N donor atoms for all three HDz − ligands. A comparative voltammetric and spectro-electrochemical study revealed that (1) can be oxidised in two one-electron transfer steps, to generate a disulphide first and then HDz + . In contrast, upon complexation with cobalt, the free mercaptan group of (1) becomes a stable “metal thioether”, Co-S-C, which effectively prevents disulphide formation in all three ligands of (5) upon electrochemical oxidation. As a result, each ligand of Co(HDz) 3 shows just one oxidation process. Intramolecular communication between ligands is evident because the three separate ligand-based oxidations are well resolved. Two irreversible ligand reduction steps, each consisting of three unresolved components related to each of the three ligands, were also observed. The Co II /Co III couple

Local condensate depletion at trap center under strong interactions

Science.gov (United States)

Yukalov, V. I.; Yukalova, E. P.

2018-04-01

Cold trapped Bose-condensed atoms, interacting via hard-sphere repulsive potentials are considered. Simple mean-field approximations show that the condensate distribution inside a harmonic trap always has the shape of a hump with the maximum condensate density occurring at the trap center. However, Monte Carlo simulations at high density and strong interactions display the condensate depletion at the trap center. The explanation of this effect of local condensate depletion at trap center is suggested in the frame of self-consistent theory of Bose-condensed systems. The depletion is shown to be due to the existence of the anomalous average that takes into account pair correlations and appears in systems with broken gauge symmetry.

Bose-Einstein condensation in real space

International Nuclear Information System (INIS)

Valencia, J.J.; Llano, M. de; Solis, M.A.

2004-01-01

We show how Bose-Einstein condensation (BEC) occurs not only in momentum space but also in coordinate (or real) space. Analogies between the isotherms of a van der Waals classical gas of extended (or finite-diameter) identical atoms and the point (or zero-diameter) particles of an ideal BE gas allow concluding that, in contrast with the classical case, the volume per particle vanishes in the pure BE condensate phase precisely because the boson diameters are zero. Thus a BE condensate forms in real space without exhibiting a liquid branch as does the classical gas. (Author)

Enhanced Evaporation and Condensation in Tubes

Science.gov (United States)

Honda, Hiroshi

A state-of-the-art review of enhanced evaporation and condensation in horizontal microfin tubes and micro-channels that are used for air-conditioning and refrigeration applications is presented. The review covers the effects of flow pattern and geometrical parameters of the tubes on the heat transfer performance. Attention is paid to the effect of surface tension which leads to enhanced evaporation and condensation in the microfin tubes and micro-channels. A review of prior efforts to develop empirical correlations of the heat transfer coefficient and theoretical models for evaporation and condensation in the horizontal microfin tubes and micro-channels is also presented.

Open string decoupling and tachyon condensation

International Nuclear Information System (INIS)

Chalmers, G.

2001-01-01

The amplitudes in perturbative open string theory are examined as functions of the tachyon condensate parameter. The boundary state formalism demonstrates the decoupling of the open string modes at the non-perturbative minima of the tachyon potential via a degeneration of open world-sheets and identifies an independence of the coupling constants g s and g YM at general values of the tachyon condensate. The closed sector is generated at the quantum level; it is also generated at the classical level through the condensation of the propagating open string modes on the D-brane degrees of freedom.

Dynamics of capillary condensation in aerogels.

Science.gov (United States)

Nomura, R; Miyashita, W; Yoneyama, K; Okuda, Y

2006-03-01

Dynamics of capillary condensation of liquid 4He in various density silica aerogels was investigated systematically. Interfaces were clearly visible when bulk liquid was rapidly sucked into the aerogel. Time evolution of the interface positions was consistent with the Washburn model and their effective pore radii were obtained. Condensation was a single step in a dense aerogel and two steps in a low density aerogel. Crossover between the two types of condensation was observed in an intermediate density aerogel. Variety of the dynamics may be the manifestation of the fractal nature of aerogels which had a wide range of distribution of pore radii.

Quark virtuality and QCD vacuum condensates

International Nuclear Information System (INIS)

Zhou Lijuan; Ma Weixing

2004-01-01

Based on the Dyson-Schwinger equations (DSEs) in the 'rainbow' approximation, the authors investigate the quark virtuality in the vacuum state and quantum-chromodynamics (QCD) vacuum condensates. In particular, authors calculate the local quark vacuum condensate and quark-gluon mixed condensates, and then the virtuality of quark. The calculated quark virtualities are λ u,d 2 =0.7 GeV 2 for u, d quarks, and λ s 2 =1.6 GeV 2 for s quark. The theoretical predictions are consistent with empirical values used in QCD sum rules, and also fit to lattice QCD predictions

Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

Energy Technology Data Exchange (ETDEWEB)

Li, Tsung-Lung, E-mail: quantum@mail.ncyu.edu.tw [Department of Electrophysics, National Chia-Yi University, 300 Hsueh-Fu Road, Chiayi, 60004, Taiwan, ROC (China); Lu, Wen-Cai, E-mail: wencailu@jlu.edu.cn [Laboratory of Fiber Materials and Modern Textile, Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao, Shandong 266071 (China); State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021 (China)

2016-11-01

The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li{sub 1} Rub and Na{sub 1} Rub) isomers are investigated and compared with monopotassium-rubrene (K{sub 1} Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li{sub 1} Rub and Na{sub 1} Rub are intercalated structures, whereas the minimum-energy K{sub 1} Rub is adsorbed. The fact that the intercalated Li{sub 1} Rub and Na{sub 1} Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li{sub 1} Rub/Na{sub 1} Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K{sub 1} Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li{sub 1} Rub/Na{sub 1} Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of

Efficient, Long-Life Biocidal Condenser, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Environmental control systems for manned lunar and planetary bases will require condensing heat exchangers to control humidity. Condensing surfaces must be...

Intramolecular Azide to Alkene Cycloadditions for the Construction of Pyrrolobenzodiazepines and Azetidino-Benzodiazepines

Directory of Open Access Journals (Sweden)

Karl Hemming

2014-10-01

Full Text Available The coupling of proline- and azetidinone-substituted alkenes to 2-azidobenzoic and 2-azidobenzenesulfonic acid gives precursors that undergo intramolecular azide to alkene 1,3-dipolar cycloadditions to give imine-, triazoline- or aziridine-containing pyrrolo[1,4]benzodiazepines (PBDs, pyrrolo[1,2,5]benzothiadiazepines (PBTDs, and azetidino[1,4]benzodiazepines. The imines and aziridines are formed after loss of nitrogen from a triazoline cycloadduct. The PBDs are a potent class of antitumour antibiotics.

21 CFR 573.200 - Condensed animal protein hydrolysate.

Science.gov (United States)

2010-04-01

... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Condensed animal protein hydrolysate. 573.200... ANIMALS Food Additive Listing § 573.200 Condensed animal protein hydrolysate. (a) Identity. The condensed animal protein hydrolysate is produced from the meat byproducts scraped from cured (salted) hides taken...

Condensation induced non-condensable accumulation in a non-vented horizontal pipe connected with an elbow and a vertical pipe

International Nuclear Information System (INIS)

Stevanovic, V.D.; Stosic, Z.V.; Stoll, U.

2005-01-01

In this paper the radiolytic gases (hydrogen and oxygen) accumulation is investigated numerically for the pipe geometry consisting of a horizontal pipe closed at one end, and connected via a downward directed elbow with a vertical pipe open at its bottom end. This configuration is a typical part of many pipeline systems or measuring lines. The steam inside the pipes is condensed due to heat losses to the surrounding atmosphere, the condensate is drained and the concentration of the remaining noncondensable radiolytic gases is increased. Three dimensional numerical simulations are performed with the thermal-hydraulic and physico-chemical code HELIO, especially developed for the simulation and analyses of radiolytic gases accumulation in pipelines. The HELIO code model is based on the mass, momentum and energy conservation equations for the gas mixture and wall condensate film flow, as well as on the transport equations for non-condensable diffusion and convection. At the liquid film surface, the phases are coupled through the no-slip velocity condition and the mass transfer due to steam condensation and non-condensable absorption and degassing. Obtained numerical results show the gas mixture and condensate liquid film flow fields. In case of here analyzed geometry, the gas mixture circulates in the elbow and the horizontal pipe due to buoyancy forces induced by concentration and related density differences. The circulation flow prevents the formation of the radiolytic gases concentration front. The non-condensable radiolytic gases are transported from the pipe through the open end by the mechanisms of diffusion and convection. The analyzed geometry is the same as in case of venting pipe mounted on the steam pipeline. The results are of practical importance since they show that radiolytic gases accumulation does not occur in the geometry of the venting pipes. (authors)

Theory of decoherence in Bose-Einstein condensate interferometry

Energy Technology Data Exchange (ETDEWEB)

Dalton, B J [ARC Centre for Quantum-Atom Optics and Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne, Victoria 3122 (Australia)

2007-05-15

A full treatment of decoherence and dephasing effects in BEC interferometry has been developed based on using quantum correlation functions for treating interferometric effects. The BEC is described via a phase space distribution functional of the Wigner type for the condensate modes and the positive P type for the non-condensate modes. Ito equations for stochastic condensate and non-condensate field functions replace the functional Fokker-Planck equation for the distribution functional and stochastic averages of field function products determine the quantum correlation functions.

Leak detection in turbo group condensers using helium

International Nuclear Information System (INIS)

Gomez Cores, C.; Lloret, J.

1997-01-01

This method allows a rapid location of leaks (small or not) in the pipelines of a turbo group condenser, before opening the condenser boxes and no need of stooping the turbo group operation. This operation can last two hours maximum depending on the volume of the box or semi box. The technique consists of injecting helium into the water side and detecting it in the steam side, in the outlet of not condensable gases of the ejector. In the same way, probable air inlet to the condenser can be proved (auxiliary systems, turbo group joints to the condenser, etc.) in order to improve the vacuum and/or reduce the quantity of oxygen dissolved in the water of the steam side. (author) [es

Integral Reactor Containment Condensation Model and Experimental Validation

Energy Technology Data Exchange (ETDEWEB)

Wu, Qiao [Oregon State Univ., Corvallis, OR (United States); Corradini, Michael [Univ. of Wisconsin, Madison, WI (United States)

2016-05-02

This NEUP funded project, NEUP 12-3630, is for experimental, numerical and analytical studies on high-pressure steam condensation phenomena in a steel containment vessel connected to a water cooling tank, carried out at Oregon State University (OrSU) and the University of Wisconsin at Madison (UW-Madison). In the three years of investigation duration, following the original proposal, the planned tasks have been completed: (1) Performed a scaling study for the full pressure test facility applicable to the reference design for the condensation heat transfer process during design basis accidents (DBAs), modified the existing test facility to route the steady-state secondary steam flow into the high pressure containment for controllable condensation tests, and extended the operations at negative gage pressure conditions (OrSU). (2) Conducted a series of DBA and quasi-steady experiments using the full pressure test facility to provide a reliable high pressure condensation database (OrSU). (3) Analyzed experimental data and evaluated condensation model for the experimental conditions, and predicted the prototypic containment performance under accidental conditions (UW-Madison). A film flow model was developed for the scaling analysis, and the results suggest that the 1/3 scaled test facility covers large portion of laminar film flow, leading to a lower average heat transfer coefficient comparing to the prototypic value. Although it is conservative in reactor safety analysis, the significant reduction of heat transfer coefficient (50%) could under estimate the prototypic condensation heat transfer rate, resulting in inaccurate prediction of the decay heat removal capability. Further investigation is thus needed to quantify the scaling distortion for safety analysis code validation. Experimental investigations were performed in the existing MASLWR test facility at OrST with minor modifications. A total of 13 containment condensation tests were conducted for pressure

Molecular structures and intramolecular dynamics of pentahalides

Science.gov (United States)

Ischenko, A. A.

2017-03-01

This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

The Dynamics of Aerosols in Condensational Scrubbers

DEFF Research Database (Denmark)

Johannessen, Jens Tue; Christensen, Jan A.; Simonsen, Ole

1997-01-01

A mathematical model for the simulation of the dynamics of aerosol change in condensational scrubbers and scrubbing condensers is proposed. The model is applicable for packed column gas/liquid contact when plug flow can be assumed. The model is compared with experimental data for particle removal...... for their estimation is proposed. The behaviour of scrubbers and condensers for some important technical applications is demonstrated by model simulations. (C) 1997 Elsevier Science Ltd....

The Intramolecular Diels–Alder Reaction of Tryptamine-Derived Zincke Aldehydes Is a Stepwise Process

OpenAIRE

Pham, Hung V.; Martin, David B. C.; Vanderwal, Christopher D.; Houk, K. N.

2012-01-01

Computational studies show that the base-mediated intramolecular Diels–Alder of tryptamine-derived Zincke aldehydes, used as a key step in the synthesis of the Strychnos alkaloids norfluorocurarine and strychnine, proceeds via a stepwise pathway. The experimentally determined importance of a potassium counterion in the base is explained by its ability to preorganize the Zincke aldehyde diene in an s-cis conformation suitable to bicyclization. Computation also supports the thermodynamic import...

Targeted Functionalization of Nanoparticle Thin Films via Capillary Condensation

KAUST Repository

Gemici, Zekeriyya; Schwachulla, Patrick I.; Williamson, Erik H.; Rubner, Michael F.; Cohen, Robert E.

2009-01-01

Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane). © 2009 American Chemical Society.

Targeted Functionalization of Nanoparticle Thin Films via Capillary Condensation

KAUST Repository

Gemici, Zekeriyya

2009-03-11

Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane). © 2009 American Chemical Society.

Targeted functionalization of nanoparticle thin films via capillary condensation.

Science.gov (United States)

Gemici, Zekeriyya; Schwachulla, Patrick I; Williamson, Erik H; Rubner, Michael F; Cohen, Robert E

2009-03-01

Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane).

Comparative study during condensation of R152 a and R134 a with presence of non-condensable gas inside a vertical tube

Science.gov (United States)

Charef, Adil; Feddaoui, M'barek; Najim, Monssif; Meftah, Hicham

2018-04-01

A computational study of the liquid film condensation from vapour-gas mixtures of HFC refrigerants inside a vertical tube is performed. The external wall of the tube is subjected to constant temperature. The model uses an implicit finite difference method to solve the governing equations for the liquid film and gas flow together including the boundary and interfacial matching conditions. Parametric computations were realised to examine the effects of inlet Reynolds number, tube length, and inlet temperature of the gas mixtures on the condensation mechanism. A comparative study between the results obtained for studied R152 a and R134 a with presence of non-condensable gas is made. The predicted results indicate that the condensation of R152 a-air corresponds to a higher accumulated condensation m c d and local heat transfer coefficient h T when compared to R134 a-air in the same conditions. Increasing the inlet Reynolds number or the tube length improve the condensation. Additionally, lower non-condensable gas in R152 a - a i r substantially enhances the heat and mass exchanges.

Condensate growth in trapped Bose gates

NARCIS (Netherlands)

Bijlsma, M.J.; Zaremba, E.; Stoof, H.T.C.

2000-01-01

We study the dynamics of condensate fromation in an inhomogeneous trapped Bose gas with a positive interatomic scattering length. We take into account both the nonequilibrium kinetics of the thermal cloud and the Hartree-Fock mean-field efects in the condensed and the noncondensed parts of the gas.

Condensate growth in trapped Bose gases

NARCIS (Netherlands)

Bijlsma, M.J.; Zaremba, E.; Stoof, H.T.C.

2000-01-01

We study the dynamics of condensate formation in an inhomogeneous trapped Bose gas with a positive interatomic scattering length. We take into account both the nonequilibrium kinetics of the thermal cloud and the Hartree-Fock mean-field effects in the condensed and the noncondensed parts of the gas.

Accretion of Ghost Condensate by Black Holes

Energy Technology Data Exchange (ETDEWEB)

Frolov, A

2004-06-02

The intent of this letter is to point out that the accretion of a ghost condensate by black holes could be extremely efficient. We analyze steady-state spherically symmetric flows of the ghost fluid in the gravitational field of a Schwarzschild black hole and calculate the accretion rate. Unlike minimally coupled scalar field or quintessence, the accretion rate is set not by the cosmological energy density of the field, but by the energy scale of the ghost condensate theory. If hydrodynamical flow is established, it could be as high as tenth of a solar mass per second for 10MeV-scale ghost condensate accreting onto a stellar-sized black hole, which puts serious constraints on the parameters of the ghost condensate model.

Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome em>c>4

DEFF Research Database (Denmark)

Natzmutdinov, Renat R.; Bronshtein, Michael D.; Zinkicheva, Tamara T.

2012-01-01

force were determined using dielectric continuum models. We then calculated the electronic transmission coefficient of the intramolecular ET rate using perturbation theory combined with the electronic wave functions determined by the DFT calculations for different heme group orientations and Fe...

A Convergent Enantioselective Total Synthesis of (-)-Perhydrohistrionicotoxin with an Intramolecular Imino Ene-type Reaction as a Key Step

DEFF Research Database (Denmark)

Tanner, David Ackland; Hagberg, Lars

1998-01-01

A convergent enantioselective total synthesis of the neurotoxic spirocyclic alkaloid (-)-perhydrohistrionicotoxin (2) is described. A Lewis acid-mediated intramolecular imine ene-type reaction was used for the key spirocyclisation step (14 to 3, with 3 being obtained as a single diastereoisomer...

Nonlinear behavior of the radiative condensation instability

International Nuclear Information System (INIS)

McCarthy, D.; Drake, J.F.

1991-01-01

An investigation of the nonlinear behavior of the radiative condensation instability is presented in a simple one-dimensional magnetized plasma. It is shown that the radiative condensation is typically a nonlinear instability---the growth of the instability is stronger once the disturbance reaches finite amplitude. Moreover, classical parallel thermal conduction is insufficient by itself to saturate the instability. Radiative collapse continues until the temperature in the high density condensation falls sufficiently to reduce the radiation rate

A novel and facile decay path of Criegee intermediates by intramolecular insertion reactions via roaming transition states

International Nuclear Information System (INIS)

Nguyen, Trong-Nghia; Putikam, Raghunath; Lin, M. C.

2015-01-01

We have discovered a new and highly competitive product channel in the unimolecular decay process for small Criegee intermediates, CH 2 OO and anti/syn-CH 3 C(H)OO, occurring by intramolecular insertion reactions via a roaming-like transition state (TS) based on quantum-chemical calculations. Our results show that in the decomposition of CH 2 OO and anti-CH 3 C(H)OO, the predominant paths directly produce cis-HC(O)OH and syn-CH 3 C(O)OH acids with >110 kcal/mol exothermicities via loose roaming-like insertion TSs involving the terminal O atom and the neighboring C–H bonds. For syn-CH 3 C(H)OO, the major decomposition channel occurs by abstraction of a H atom from the CH 3 group by the terminal O atom producing CH 2 C(H)O–OH. At 298 K, the intramolecular insertion process in CH 2 OO was found to be 600 times faster than the commonly assumed ring-closing reaction

Modeling of Kerena Emergency Condenser

Directory of Open Access Journals (Sweden)

Bryk Rafał

2017-12-01

Full Text Available KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA was built in Karlstein, Germany. The emergency condenser (EC system transfers heat from the reactor pressure vessel (RPV to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA. The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

Confirmatory tests of full-scale condensers for SBWR

International Nuclear Information System (INIS)

Masoni, P.; Botti, S.; Fitzsimmons, G.W.

1993-01-01

A full-scale isolation condenser and a full-scale passive containment cooling condenser for the Simplified Boiling Water Reactor (SBWR) will be tested to confirm the thermal-hydraulic and structural design characteristics of these components. The condensers provide vital roles in removing heat from the reactor vessel and the containment during certain design basis events. This paper describes the condensers and the test facilities which are under construction and summarizes the test objectives, the planned instrumentation, and the conditions to be tested. The results of some pre-test performance predictions, calculated with the TRACG code are presented. The results of the testing program are expected to demonstrate that the condenser designs will provide the required heat removal capacity and will survive the design basis temperature/pressure cycles without structural damage

Condensate and feedwater systems, pumps, and water chemistry. Volume seven

International Nuclear Information System (INIS)

Anon.

1986-01-01

Subject matter includes condensate and feedwater systems (general features of condensate and feedwater systems, condenser hotwell level control, condensate flow, feedwater flow), pumps (principles of fluid flow, types of pumps, centrifugal pumps, positive displacement pumps, jet pumps, pump operating characteristics) and water chemistry (water chemistry fundamentals, corrosion, scaling, radiochemistry, water chemistry control processes, water pretreatment, PWR water chemistry, BWR water chemistry, condenser circulating water chemistry

CONVECTION IN CONDENSIBLE-RICH ATMOSPHERES

Energy Technology Data Exchange (ETDEWEB)

Ding, F. [Department of the Geophysical Sciences, University of Chicago, Chicago, IL 60637 (United States); Pierrehumbert, R. T., E-mail: fding@uchicago.edu [Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom)

2016-05-01

Condensible substances are nearly ubiquitous in planetary atmospheres. For the most familiar case—water vapor in Earth’s present climate—the condensible gas is dilute, in the sense that its concentration is everywhere small relative to the noncondensible background gases. A wide variety of important planetary climate problems involve nondilute condensible substances. These include planets near or undergoing a water vapor runaway and planets near the outer edge of the conventional habitable zone, for which CO{sub 2} is the condensible. Standard representations of convection in climate models rely on several approximations appropriate only to the dilute limit, while nondilute convection differs in fundamental ways from dilute convection. In this paper, a simple parameterization of convection valid in the nondilute as well as dilute limits is derived and used to discuss the basic character of nondilute convection. The energy conservation properties of the scheme are discussed in detail and are verified in radiative-convective simulations. As a further illustration of the behavior of the scheme, results for a runaway greenhouse atmosphere for both steady instellation and seasonally varying instellation corresponding to a highly eccentric orbit are presented. The latter case illustrates that the high thermal inertia associated with latent heat in nondilute atmospheres can damp out the effects of even extreme seasonal forcing.

New state of matter: Bose-Einstein condensation

International Nuclear Information System (INIS)

Anon.

1995-01-01

70 years after work by the Indian physicist Satyendra Nath Bose led Einstein to predict the existence of a new state of matter, the Bose-Einstein condensate has finally been seen. The discovery was made in July by a team from Colorado, and was followed one month later by a second sighting at Rice University at Houston, Texas. It is Bose's theoretical framework governing the behaviour of the particles we now call bosons which led to Einstein's prediction. Unlike fermions, which obey the Pauli exclusion principle of only one resident particle per allowed quantum state, any number of bosons can pack into an identical quantum state. This led Einstein to suggest that under certain conditions, bosons would lose their individual identities, condensing into a kind of 'superboson'. This condensate forms when the quantum mechanical waves of neighbouring bosons overlap, hiding the identity of the individual particles. Such a condition is difficult to achieve, since most long-lived bosons are composite particles which tend to interact and stick together before a condensate can emerge. Extremely low temperatures and high densities are required to overcome this problem. As bosons lose energy and cool down, their wavelengths become longer, and they can be packed close enough together to merge into a condensate. Up until now, however, the extreme conditions needed have not been attainable. Nevertheless, hints of the Bose- Einstein condensate have been inferred in phenomena such as superconductivity and liquid helium superfluidity. Condensates could also play an important role in particle physics and cosmology, explaining, for example, why the pion as a bound quark-antiquark state is so much lighter than the three-quark proton. A hunt to create a pure Bose- Einstein condensate has been underway for over 15 years, with different groups employing different techniques to cool their bosons. The two recent successes have been achieved by incorporating several

Condensed images for evaluating gastric motility patterns

Energy Technology Data Exchange (ETDEWEB)

Tatsch, K.; Schroettle, W.; Kirsch, C.-M. (Munich Univ. (Germany, F.R.). Dept. of Radiology)

1991-04-01

A condensed imaging technique was applied to gastric emptying studies to investigate (a) whether different types of motility disorders may be distinguished by characteristic image patterns and (b) whether the findings obtained provide additional information compared to standard quantitative measurements. Condensed images and quantitative data of gastric emptying were evaluated in 75 consecutive patients with normal function and various disorders such as peptic ulcer, postvagotomy, pyloric obstruction, dumping syndrome, gastoparesis etc. Condensed images were generated from a gastric region of interest. They display the distribution and behaviour of a radioactive test meal in a space-time matrix, whose horizontal and vertical dimensions are temporal and spatial, respectively. As shown in a series of representative examples condensed images disclose a variety of well-defined image patterns reflecting different pathophysiological mechanisms. This qualitative characterization of gastric emptying patterns provided in 34 of the 75 patients (45%) important new information compared to quantitative data. The application of condensed imaging techniques to gastric emptying studies (complementary to quantitative measurements) may, therefore, enhance the diagnostic value of scintigraphic techniques. (author).

Condensation on a cooled plane upright wall

International Nuclear Information System (INIS)

Fortier, Andre.

1975-01-01

The vapor condensation along a cooled upright plane wall was studied. The theoretical and experimental results obtained in the simple case, give the essential characteristics of the phenomenon of condensation along a cold wall that keeps the vapor apart from the coolant inside a surface condenser. The phenomenon presents two different appearances according as the wall is wetted or not by the liquid. In the first case a continuous liquid film runs down the wall and a conventional Nusselt calculation gives the film thickness and the heat exchange coefficient between a pure saturated vapor and the cold wall. The calculation is developed in detail and the effect of a vapor flow along the film is discussed as well as that of the presence of a noncondensable gas inside the vapor. In the second case, separated liquid drops are formed on the wall, the phenomenon is called ''dropwise condensation'' and the heat exchange coefficients obtained are much higher than with film condensation. The theoretical aspects of the problem are discussed with some experimental results [fr

Dimensioning of emergency condensers in accordance with safety requirements

Energy Technology Data Exchange (ETDEWEB)

Palavecino, C [SIEMENS, Energieerzeugung, Offenbach (Germany)

1996-12-01

The emergency condensers are heat exchangers consisting of a parallel arrangement of horizontal U-tubes between two common heads. The tope header is connected via piping to the reactor vessel steam space, while the lower header is connected to the reactor vessel below the reactor vessel water level. The heat exchangers are located in a pool filled with cold water. The emergency condensers and the reactor vessel thus form a system of communicating pipes. At normal reactor water level, the emergency condensers are flooded with cold, non-flowing water. No heat transfer takes place in this condition. If there is a drop in the reactor water level, the heat exchanging surfaces are gradually uncovered and the incoming steam condenses on the cold surfaces. The cold condensate in returned to the reactor vessel. In this way, heat is removed from the reactor vessel and water simultaneously supplied to the reactor vessel. This means that the emergency condensers function as a heat removal system while at the same time serving as HP and LP coolant injection systems. The emergency condensers operate with the highest possible degree of passivity imaginable, namely through a drop in the reactor vessel water level alone, requiring neither control systems nor power supply. The design of the emergency condensers must meet the requirements dictated by the thermal and the hydraulic conditions. Taking into consideration a redundancy degree of N + 2, a specific thermal rating of 63 MW per emergency condenser results for a reactor with an output of 2778 MW. The total performance of the emergency condenser system in thus 252 MW, or 9.1% of reactor output. The probability of failure of the emergency condenser of Siemens SWR 1000 is approximately 10{sup -4} per demand, while that of the older emergency condenser designs is approximately 2 to 3 x 10{sup -3} per demand. (author). 7 figs, 2 tabs.

Condensates in quantum chromodynamics and the cosmological constant

Science.gov (United States)

Brodsky, Stanley J.; Shrock, Robert

2011-01-01

Casher and Susskind [Casher A, Susskind L (1974) Phys Rev 9:436–460] have noted that in the light-front description, spontaneous chiral symmetry breaking is a property of hadronic wavefunctions and not of the vacuum. Here we show from several physical perspectives that, because of color confinement, quark and gluon condensates in quantum chromodynamics (QCD) are associated with the internal dynamics of hadrons. We discuss condensates using condensed matter analogues, the Anti de Sitter/conformal field theory correspondence, and the Bethe–Salpeter–Dyson–Schwinger approach for bound states. Our analysis is in agreement with the Casher and Susskind model and the explicit demonstration of “in-hadron” condensates by Roberts and coworkers [Maris P, Roberts CD, Tandy PC (1998) Phys Lett B 420:267–273], using the Bethe–Salpeter–Dyson–Schwinger formalism for QCD-bound states. These results imply that QCD condensates give zero contribution to the cosmological constant, because all of the gravitational effects of the in-hadron condensates are already included in the normal contribution from hadron masses.

Effect on non-condensable gas on steam injector

International Nuclear Information System (INIS)

Kawamoto, Y.; Abe, Y.; Iwaki, C.; Narabayashi, T.; Mori, M.; Ohmori, S.

2004-01-01

Next-generation reactor systems have been under development aiming at simplified system and improvement of safety and credibility. A steam injector has a function of a passive pump without large motor or turbo-machinery, and has been investigated as one of the most important component of the next-generation reactor. Its performance as a pump depends on direct contact condensation phenomena between a supersonic steam and a sub-cooled water jet. Although non-condensable gases are well known for reducing heat transfer, the effect of the non-condensable gas on the condensation of supersonic steam on high-speed water jet has not been cleared. The present paper presents an experimental study of condensation of supersonic steam around turbulent water jet with model steam injector made by transparent plastic. The experimental apparatus is described. The visual observation was carried out by using high-speed camera. The non-condensable gas effect on the pump performance and flow characteristics are clarified by the image processing technique for the jet shape and gas-liquid interface behavior. (authors)

Steam blowdown experiments with the condensation pool test rig

International Nuclear Information System (INIS)

Purhonen, H.; Puustinen, M.; Laine, J.; Raesaenen, A.; Kyrki-Rajamaeki, R.; Vihavainen, J.

2005-01-01

During a possible loss-of-coolant accident (Local) a large amount of non-condensable (nitrogen) and condensable (steam) gas is blown from the upper drywell of the containment to the condensation pool through the blowdown pipes at the boiling water reactors (BWRs). The wet well pool serves as the major heat sink for condensation of steam. The blowdown causes both dynamic and structural loads to the condensation pool. There might also be a risk that the gas discharging to the pool could push its way to the emergency core cooling systems (ECCS) and undermine their performance. (author)

Gas condensate--raw material for producing liquid paraffin hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Aliyeva, R.B.; Alikishi-Zade, G.Yu.; Kuliyev, A.M.; Leonidov, A.N.; Pereverzev, A.N.

1980-01-01

The problem of efficient utilization of gas condensates as raw material for removal of a valuable product, liquid paraffins, is examined. A classification of gas condensates is given which is used as raw material for removing these hydrocarbons: gas condensate with high content of n-alkanes (25-40 mass percent), with average content (18-25 mass percent), with low content (12-18 mass percent), light weight fractions compositions, which do not contain fractions up to 200/sup 0/, and also, content ofless than 12% n-alkanes. Gas condensate I-III groups are 30% of the total reserve of gas condensate. Liquid paraffins hydrocarbons, produced from fractions of diesel fuel, which has been removed from Shatlyk gas condensate under conditions which simulate virtual processes of caramide deparaffinization meet all requirements without additional refining.

Calcium ions function as a booster of chromosome condensation.

Science.gov (United States)

Phengchat, Rinyaporn; Takata, Hideaki; Morii, Kenichi; Inada, Noriko; Murakoshi, Hideji; Uchiyama, Susumu; Fukui, Kiichi

2016-12-02

Chromosome condensation is essential for the faithful transmission of genetic information to daughter cells during cell division. The depletion of chromosome scaffold proteins does not prevent chromosome condensation despite structural defects. This suggests that other factors contribute to condensation. Here we investigated the contribution of divalent cations, particularly Ca 2+ , to chromosome condensation in vitro and in vivo. Ca 2+ depletion caused defects in proper mitotic progression, particularly in chromosome condensation after the breakdown of the nuclear envelope. Fluorescence lifetime imaging microscopy-Förster resonance energy transfer and electron microscopy demonstrated that chromosome condensation is influenced by Ca 2+ . Chromosomes had compact globular structures when exposed to Ca 2+ and expanded fibrous structures without Ca 2+ . Therefore, we have clearly demonstrated a role for Ca 2+ in the compaction of chromatin fibres.

Flow Cytometry Enables Multiplexed Measurements of Genetically Encoded Intramolecular FRET Sensors Suitable for Screening.

Science.gov (United States)

Doucette, Jaimee; Zhao, Ziyan; Geyer, Rory J; Barra, Melanie M; Balunas, Marcy J; Zweifach, Adam

2016-07-01

Genetically encoded sensors based on intramolecular FRET between CFP and YFP are used extensively in cell biology research. Flow cytometry has been shown to offer a means to measure CFP-YFP FRET; we suspected it would provide a unique way to conduct multiplexed measurements from cells expressing different FRET sensors, which is difficult to do with microscopy, and that this could be used for screening. We confirmed that flow cytometry accurately measures FRET signals using cells transiently transfected with an ERK activity reporter, comparing responses measured with imaging and cytometry. We created polyclonal long-term transfectant lines, each expressing a different intramolecular FRET sensor, and devised a way to bar-code four distinct populations of cells. We demonstrated the feasibility of multiplexed measurements and determined that robust multiplexed measurements can be conducted in plate format. To validate the suitability of the method for screening, we measured responses from a plate of bacterial extracts that in unrelated experiments we had determined contained the protein kinase C (PKC)-activating compound teleocidin A-1. The multiplexed assay correctly identifying the teleocidin A-1-containing well. We propose that multiplexed cytometric FRET measurements will be useful for analyzing cellular function and for screening compound collections. © 2016 Society for Laboratory Automation and Screening.

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Science.gov (United States)

Cho, Daeheum; Ko, Kyoung Chul; Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi; Nakai, Hiromi; Lee, Jin Yong

2015-01-01

The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH&HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Energy Technology Data Exchange (ETDEWEB)

Cho, Daeheum; Ko, Kyoung Chul; Lee, Jin Yong, E-mail: jinylee@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi [Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Nakai, Hiromi, E-mail: nakai@waseda.jp [Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); CREST, Japan Science and Technology Agency, Tokyo 102-0075 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)

2015-01-14

The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH and HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water

Science.gov (United States)

Habershon, Scott; Manolopoulos, David E.

2009-12-01

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

Science.gov (United States)

Habershon, Scott; Manolopoulos, David E

2009-12-28

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Influence of the distribution of non-condensables on passive containment condenser performance in PANDA

International Nuclear Information System (INIS)

Bandurski, Th.; Huggenberger, M.; Dreier, J.; Aubert, C.; Putz, F.; Gamble, R.E.; Yadigaroglu, G.

2001-01-01

Recently passive cooling systems have been designed for the long-term decay heat removal from the containment of Advanced Light Water Reactors. In particular, the long-term LOCA response of the Passive Containment Cooling System (PCCS) for the General Electric European Simplified Boiling Water Reactor (ESBWR) has been tested in the large-scale PANDA facility. The PANDA tests achieved the dual objectives of improving confidence in the performance of the passive heat removal mechanisms underlying the design of the system, and extending the database available for containment analysis code qualification. The tests conducted subject the PCCS to a variety of conditions representing design-basis and beyond-design-basis accident conditions. These include operation in the presence of both heavier and lighter than steam non-condensable gases, as well as a variety of asymmetric and challenging start-up conditions. The present paper addresses the transient distribution of non-condensables in PANDA, and their effect on (passive) condenser performance. (author)

Influence of the distribution of non-condensables on passive containment condenser performance in PANDA

Energy Technology Data Exchange (ETDEWEB)

Bandurski, Th.; Huggenberger, M.; Dreier, J.; Aubert, C.; Putz, F.; Gamble, R.E.; Yadigaroglu, G

2001-03-01

Recently passive cooling systems have been designed for the long-term decay heat removal from the containment of Advanced Light Water Reactors. In particular, the long-term LOCA response of the Passive Containment Cooling System (PCCS) for the General Electric European Simplified Boiling Water Reactor (ESBWR) has been tested in the large-scale PANDA facility. The PANDA tests achieved the dual objectives of improving confidence in the performance of the passive heat removal mechanisms underlying the design of the system, and extending the database available for containment analysis code qualification. The tests conducted subject the PCCS to a variety of conditions representing design-basis and beyond-design-basis accident conditions. These include operation in the presence of both heavier and lighter than steam non-condensable gases, as well as a variety of asymmetric and challenging start-up conditions. The present paper addresses the transient distribution of non-condensables in PANDA, and their effect on (passive) condenser performance. (author)

Vortices in a rotating dark matter condensate

International Nuclear Information System (INIS)

Yu, Rotha P; Morgan, Michael J

2002-01-01

We examine vortices in a self-gravitating dark matter Bose-Einstein condensate (BEC), consisting of ultra-low mass scalar bosons that arise during a late-time cosmological phase transition. Rotation of the dark matter BEC imprints a background phase gradient on the condensate, which establishes a harmonic trap potential for vortices. A numerical simulation of vortex dynamics shows that the vortex number density, n v ∝ r -1 , resulting in a flat velocity profile for the dark matter condensate. (letter to the editor)

Experimental Investigation of Flow Condensation in Microgravity

Science.gov (United States)

Lee, Hyoungsoon; Park, Ilchung; Konishi, Christopher; Mudawar, Issam; May, Rochelle I.; Juergens, Jeffery R.; Wagner, James D.; Hall, Nancy R.; Nahra, Henry K.; Hasan, Mohammed M.;

Chromosome condensation and radiation-induced G2 arrest studied by the induction of premature chromosome condensation following cell fusion

International Nuclear Information System (INIS)

Mitchell, J.B.; Bedford, J.S.

1978-01-01

When mitotic and interphase cells are fused together, the chromosomes of the interphase cell sometimes condense prematurely. The phenomenon of premature chromosome condensation (PCC) was utilized in investigating the problem of whether the chromosomes of cells suffering a radiation-induced G 2 delay are capable of condensation. Colcemide-arrested mitotic cells were fused with synchronized G 2 cells, and with irradiated cells suffering a G 2 delay. The frequency of PCC in mitotic X G 2 binucleate cells was determined. This was compared to the PCC frequency in an unirradiated synchronized population rich in G 2 cells after fusion with mitotic cells. Flash-labelling with 3 HTdR and autoradiography allowed S-phase cells to be eliminated. The frequency of G 2 PCCs was not significantly different for the irradiated G 2 -delayed or unirradiated cells. From these results it was concluded that the chromosomes of cells suffering a G 2 arrest are capable of condensation, although the involvement of the condensation process in radiation-induced G 2 delay could not be ruled out. (author)

Evaporation and Condensation Flows of a Vapor-Gas Mixture from or onto the Condensed Phase with an Internal Structure

National Research Council Canada - National Science Library

Onishi, Yoshimoto; Yamada, Ken

2005-01-01

Transient motions of a vapor-gas mixture due to the evaporation and condensation processes from or onto the plane condensed phase, with a temperature field as its internal structure, have been studied...

Water condensation on ultrahydrophobic flexible micro pillar surface

Science.gov (United States)

Narhe, Ramchandra

2016-05-01

We investigated the growth dynamics of water drops in controlled condensation on ultrahydrophobic geometrically patterned polydimethylsiloxane (PDMS) cylindrical micro pillars. At the beginning, the condensed drops size is comparable to the pattern dimensions. The interesting phenomenon we observe is that, as the condensation progresses, water drops between the pillars become unstable and enforced to grow in the upward direction along the pillars surface. The capillary force of these drops is of the order of μ\\text{N} and acts on neighboring pillars. That results into bending of the pillars. Pillars bending enhances the condensation and favors the most energetically stable Wenzel state.

The condensation of water on adsorbed viruses.

Science.gov (United States)

Alonso, José María; Tatti, Francesco; Chuvilin, Andrey; Mam, Keriya; Ondarçuhu, Thierry; Bittner, Alexander M

2013-11-26

The wetting and dewetting behavior of biological nanostructures and to a greater degree single molecules is not well-known even though their contact with water is the basis for all biology. Here, we show that environmental electron microscopy (EM) can be applied as a means of imaging the condensation of water onto viruses. We captured the formation of submicrometer water droplets and filaments on single viral particles by environmental EM and by environmental transmission EM. The condensate structures are compatible with capillary condensation between adsorbed virus particles and with known droplet shapes on patterned surfaces. Our results confirm that such droplets exist down to condensation/evaporation cycle as expected from their stability in air and water. Moreover we developed procedures that overcome problems of beam damage and of resolving structures with a low atomic number.

Direct electrochemistry and intramolecular electron transfer of ascorbate oxidase confined on L-cysteine self-assembled gold electrode.

Science.gov (United States)

Patil, Bhushan; Kobayashi, Yoshiki; Fujikawa, Shigenori; Okajima, Takeyoshi; Mao, Lanqun; Ohsaka, Takeo

2014-02-01

A direct electrochemistry and intramolecular electron transfer of multicopper oxidases are of a great importance for the fabrication of these enzyme-based bioelectrochemical-devices. Ascorbate oxidase from Acremonium sp. (ASOM) has been successfully immobilized via a chemisorptive interaction on the l-cysteine self-assembled monolayer modified gold electrode (cys-SAM/AuE). Thermodynamics and kinetics of adsorption of ASOM on the cys-SAM/AuE were studied using cyclic voltammetry. A well-defined redox wave centered at 166±3mV (vs. Ag│AgCl│KCl(sat.)) was observed in 5.0mM phosphate buffer solution (pH7.0) at the fabricated ASOM electrode, abbreviated as ASOM/cys-SAM/AuE, confirming a direct electrochemistry, i.e., a direct electron transfer (DET) between ASOM and cys-SAM/AuE. The direct electrochemistry of ASOM was further confirmed by taking into account the chemical oxidation of ascorbic acid (AA) by O2 via an intramolecular electron transfer in the ASOM as well as the electrocatalytic oxidation of AA at the ASOM/cys-SAM/AuE. Thermodynamics and kinetics of the adsorption of ASOM on the cys-SAM/AuE have been elaborated along with its direct electron transfer at the modified electrodes on the basis of its intramolecular electron transfer and electrocatalytic activity towards ascorbic acid oxidation and O2 reduction. ASOM saturated surface area was obtained as 2.41×10(-11)molcm(-2) with the apparent adsorption coefficient of 1.63×10(6)Lmol(-1). The ASOM confined on the cys-SAM/AuE possesses its essential enzymatic function. © 2013.

Spin polarized semimagnetic exciton-polariton condensate in magnetic field.

Science.gov (United States)

Król, Mateusz; Mirek, Rafał; Lekenta, Katarzyna; Rousset, Jean-Guy; Stephan, Daniel; Nawrocki, Michał; Matuszewski, Michał; Szczytko, Jacek; Pacuski, Wojciech; Piętka, Barbara

2018-04-27

Owing to their integer spin, exciton-polaritons in microcavities can be used for observation of non-equilibrium Bose-Einstein condensation in solid state. However, spin-related phenomena of such condensates are difficult to explore due to the relatively small Zeeman effect of standard semiconductor microcavity systems and the strong tendency to sustain an equal population of two spin components, which precludes the observation of condensates with a well defined spin projection along the axis of the system. The enhancement of the Zeeman splitting can be achieved by introducing magnetic ions to the quantum wells, and consequently forming semimagnetic polaritons. In this system, increasing magnetic field can induce polariton condensation at constant excitation power. Here we evidence the spin polarization of a semimagnetic polaritons condensate exhibiting a circularly polarized emission over 95% even in a moderate magnetic field of about 3 T. Furthermore, we show that unlike nonmagnetic polaritons, an increase on excitation power results in an increase of the semimagnetic polaritons condensate spin polarization. These properties open new possibilities for testing theoretically predicted phenomena of spin polarized condensate.

Review of steam jet condensation in a water pool

International Nuclear Information System (INIS)

Kim, Y. S.; Song, C. H.; Park, C. K.; Kang, H. S.; Jeon, H. G.; Yoon, Y. J.

2002-01-01

In the advanced nuclear power plants including APR1400, the SDVS is adopted to increase the plant safety using the concept of feed-and-bleed operation. In the case of the TLOFW, the POSRV located at the top of the pressurizer is expected to open due to the pressurization of the reactor coolant system and discharges steam and/or water mixture into the water pool, where the mixture is condensed. During the condensation of the mixture, thermal-hydraulic loads such as pressure and temperature variations are induced to the pool structure. For the pool structure design, such thermal-hydraulic aspects should be considered. Understanding the phenomena of the submerged steam jet condensation in a water pool is helpful for system designers to design proper pool structure, sparger, and supports etc. This paper reviews and evaluates the steam jet condensation in a water pool on the physical phenomena of the steam condensation including condensation regime map, heat transfer coefficient, steam plume, steam jet condensation load, and steam jet induced flow

On inflation in the presence of a gaugino condensate

International Nuclear Information System (INIS)

Lebedev, Oleg; Papineau, Chloe

2009-07-01

We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe. (orig.)

On inflation in the presence of a gaugino condensate

International Nuclear Information System (INIS)

Lebedev, Oleg; Papineau, Chloe; Postma, Marieke

2010-01-01

We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model-independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe.

On inflation in the presence of a gaugino condensate

Energy Technology Data Exchange (ETDEWEB)

Lebedev, Oleg; Papineau, Chloe [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Postma, Marieke [NIKHEF, Amsterdam (Netherlands)

2009-07-15

We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe. (orig.)

On inflation in the presence of a gaugino condensate

Energy Technology Data Exchange (ETDEWEB)

Lebedev, Oleg [DESY Theory Group, Notkestrasse 85, D-22607 Hamburg (Germany); Papineau, Chloe, E-mail: chloe.papineau@desy.d [DESY Theory Group, Notkestrasse 85, D-22607 Hamburg (Germany); Postma, Marieke [NIKHEF, Kruislaan 409, 1098 Amsterdam (Netherlands)

2010-02-08

We study the effect of inflation on gaugino condensation in supergravity. Unless the Hubble scale H is significantly below the gaugino condensation scale, the gaugino condensate is a dynamical variable which cannot be integrated out. For a sufficiently high H, the gaugino condensate evolves to zero which in turn leads to dilaton/moduli destabilization. In practice, this often occurs at the Hubble rate about an order of magnitude below the gaugino condensation scale. This effect is independent of the specifics of moduli stabilization and thus places model-independent constraints on inflationary scenarios. It also applies more generally to any periods of fast expansion in the early Universe.

A transport-based condensed history algorithm

International Nuclear Information System (INIS)

Tolar, D. R. Jr.

1999-01-01

Condensed history algorithms are approximate electron transport Monte Carlo methods in which the cumulative effects of multiple collisions are modeled in a single step of (user-specified) path length s 0 . This path length is the distance each Monte Carlo electron travels between collisions. Current condensed history techniques utilize a splitting routine over the range 0 le s le s 0 . For example, the PEnELOPE method splits each step into two substeps; one with length ξs 0 and one with length (1 minusξ)s 0 , where ξ is a random number from 0 0 is fixed (not sampled from an exponential distribution), conventional condensed history schemes are not transport processes. Here the authors describe a new condensed history algorithm that is a transport process. The method simulates a transport equation that approximates the exact Boltzmann equation. The new transport equation has a larger mean free path than, and preserves two angular moments of, the Boltzmann equation. Thus, the new process is solved more efficiently by Monte Carlo, and it conserves both particles and scattering power

Scattering of atoms on a Bose-Einstein condensate

International Nuclear Information System (INIS)

Poulsen, Uffe V.; Moelmer, Klaus

2003-01-01

We study the scattering properties of a Bose-Einstein condensate held in a finite depth well when the incoming particles are identical to the ones in the condensate. We calculate phase shifts and corresponding transmission and reflection coefficients, and we show that the transmission times can be negative, i.e., the atomic wave packet seemingly leaves the condensate before it arrives

Capillary Condensation in Confined Media

OpenAIRE

Charlaix, Elisabeth; Ciccotti, Matteo

2009-01-01

28 pages - To appear in 2010 in the Handbook of Nanophysics - Vol 1 - Edited by Klaus Sattler - CRC Press; We review here the physics of capillary condensation of liquids in confined media, with a special regard to the application in nanotechnologies. The thermodynamics of capillary condensation and thin film adsorption are first exposed along with all the relevant notions. The focus is then shifted to the modelling of capillary forces, to their measurements techniques (including SFA, AFM and...

Capillary condensation between disks in two dimensions

DEFF Research Database (Denmark)

Gil, Tamir; Ipsen, John Hjorth

1997-01-01

Capillary condensation between two two-dimensional wetted circular substrates (disks) is studied by an effective free energy description of the wetting interface. The interfacial free-energy potential is developed on the basis of the theory for the wetting of a single disk, where interfacial...... capillary fluctuations play a dominant role. A simple approximative analytical expression of the interfacial free energy is developed and is validated numerically. The capillary condensation is characterized by the analysis of the coverage of the condensed phase, its stability, and asymptotic behaviors...

Dropwise condensation on inclined textured surfaces

CERN Document Server

Khandekar, Sameer

2014-01-01

Dropwise Condensation on Textured Surfaces presents a holistic framework for understanding dropwise condensation through mathematical modeling and meaningful experiments. The book presents a review of the subject required to build up models as well as to design experiments. Emphasis is placed on the effect of physical and chemical texturing and their effect on the bulk transport phenomena. Application of the model to metal vapor condensation is of special interest. The unique behavior of liquid metals, with their low Prandtl number and high surface tension, is also discussed. The model predicts instantaneous drop size distribution for a given level of substrate subcooling and derives local as well as spatio-temporally averaged heat transfer rates and wall shear stress.

Spectroscopic studies of the intramolecular hydrogen bonding in o-hydroxy Schiff bases, derived from diaminomaleonitrile, and their deprotonation reaction products

Science.gov (United States)

Szady-Chełmieniecka, Anna; Kołodziej, Beata; Morawiak, Maja; Kamieński, Bohdan; Schilf, Wojciech

2018-01-01

The structural study of five Schiff bases derived from diaminomaleonitrile (DAMN) and 2-hydroxy carbonyl compounds was performed using 1H, 13C and 15N NMR methods in solution and in the solid state as well. ATR-FTIR and X-Ray spectroscopies were used for confirmation of the results obtained by NMR method. The imine obtained from DAMN and benzaldehyde was synthesized as a model compound which lacks intramolecular hydrogen bond. Deprotonation of all synthesized compounds was done by treating with tetramethylguanidine (TMG). NMR data revealed that salicylidene Schiff bases in DMSO solution exist as OH forms without intramolecular hydrogen bonds and independent on the substituents in aromatic ring. In the case of 2-hydroxy naphthyl derivative, the OH proton is engaged into weak intramolecular hydrogen bond. Two of imines (salDAMN and 5-BrsalDAMN) exist in DMSO solution as equilibrium mixtures of two isomers (A and B). The structures of equilibrium mixture in the solid state have been studied by NMR, ATR-FTIR and X-Ray methods. The deprotonation of three studied compounds (salDAMN, 5-BrsalDAMN, and 5-CH3salDAMN) proceeded in two different ways: deprotonation of oxygen atom (X form) or of nitrogen atom of free primary amine group of DAMN moiety (Y form). For 5-NO2salDAMN and naphDAMN only one form (X) was observed.

Cytoskeletal Reorganization Drives Mesenchymal Condensation and Regulates Downstream Molecular Signaling.

Directory of Open Access Journals (Sweden)

Poulomi Ray

Full Text Available Skeletal condensation occurs when specified mesenchyme cells self-organize over several days to form a distinctive cartilage template. Here, we determine how and when specified mesenchyme cells integrate mechanical and molecular information from their environment, forming cartilage condensations in the pharyngeal arches of chick embryos. By disrupting cytoskeletal reorganization, we demonstrate that dynamic cell shape changes drive condensation and modulate the response of the condensing cells to Fibroblast Growth Factor (FGF, Bone Morphogenetic Protein (BMP and Transforming Growth Factor beta (TGF-β signaling pathways. Rho Kinase (ROCK-driven actomyosin contractions and Myosin II-generated differential cell cortex tension regulate these cell shape changes. Disruption of the condensation process inhibits the differentiation of the mesenchyme cells into chondrocytes, demonstrating that condensation regulates the fate of the mesenchyme cells. We also find that dorsal and ventral condensations undergo distinct cell shape changes. BMP signaling is instructive for dorsal condensation-specific cell shape changes. Moreover, condensations exhibit ventral characteristics in the absence of BMP signaling, suggesting that in the pharyngeal arches ventral morphology is the ground pattern. Overall, this study characterizes the interplay between cytoskeletal dynamics and molecular signaling in a self-organizing system during tissue morphogenesis.

Studies of condensation/evaporation processes in the Glowworm Cave, New Zealand

Directory of Open Access Journals (Sweden)

de Freitas Chris R.

2006-07-01

Full Text Available The condensation/evaporation process is important in caves, especially in tourist caves where there is carbon dioxide enriched air caused by visitors. The cycle of condensation and evaporation of condensate is believed to enhance condensation corrosion. The problem is condensation is difficult to measure. This study addresses the problem and reports on a method for measuring and modelling condensation rates in a limestone cave. Electronic sensors for measuring condensation and evaporation of the condensate as part of a single continuous process of water vapour flux are tested and used to collect 12 months of data. The study site is the Glowworm tourist cave in New Zealand. The work describes an explanatory model of processes leading to condensation using data based on measurements of condensation and evaporation as part of a single continuous process of water vapour flux. The results show that the model works well. However, one of the most important messages from the research reported here is the introduction of the condensation sensor. The results show that condensation in caves can actually be measured and monitored, virtually in real time. In conjunction with the recent developments in data logging equipment, this opens exciting perspectives in cave climate studies, and, more generally, in hydrogeological studies in karst terrains.

Soliton resonance in bose-einstein condensate

Science.gov (United States)

Zak, Michail; Kulikov, I.

2002-01-01

A new phenomenon in nonlinear dispersive systems, including a Bose-Einstein Condensate (BEC), has been described. It is based upon a resonance between an externally induced soliton and 'eigen-solitons' of the homogeneous cubic Schrodinger equation. There have been shown that a moving source of positive /negative potential induces bright /dark solitons in an attractive / repulsive Bose condensate.

Bose condensation in 4He and neutron scattering

International Nuclear Information System (INIS)

Silver, R.N.

1997-01-01

The discovery of superfluidity in liquid 4 He below T λ = 2.17 K, and its phenomenological characterization since then, has been one of the great success stories of condensed matter physics. The relation of superfluidity to the behavior of atoms was conjectured by F. London in 1938. Superfluidity is a manifestation of the Bose condensation of helium atoms, the extensive occupation of the zero momentum state. Ever since 4 He has been the paradigm in the search for Bose condensates in other systems. At the Pune meeting scientists have heard exciting new evidence for Bose condensates of laser cooled alkali atoms in magnetic traps, of excitons in Cu 2 O, and possibly pre-formed Cooper pairs of electrons in the high T c perovskite superconductors. There remains the holy-grail of forming a Bose condensate in spin-polarized hydrogen. In the current excitement for new types of Bose condensates, and new phenomena such as atom lasers, it may be useful to recall the older story of the experimental verification of a relation between superfluidity and Bose condensation in 4 He. This topic has been investigated over many years by neutron scattering experiments and quantum many-body theory. The authors goal is to illustrate the difficulties of establishing the existence of a Bose condensate in a strongly interacting system, even though its macroscopic effects are manifest. The author assumes readers have access to a review by Silver and Sokol which emphasizes the neutron scattering theory through 1990 and a review by Snow and Sokol of the deep inelastic neutron scattering (DINS) experiments through 1995

Bose-Einstein condensation in atomic alkali gases

Science.gov (United States)

Dodd, Robert J.

1998-05-01

I present a review of the time-independent Gross-Pitaevskii (GP), Bogoliubov, and finite-temperature Hartree-Fock-Bogoliubov (HFB) mean-field theories used to study trapped, Bose-Einstein condensed alkali gases. Numerical solutions of the (zero-temperature) GP equation are presented for attractive (negative scattering length) and repulsive (positive scattering length) interactions. Comparison is made with the Thomas-Fermi and (variational) trial wavefunction appr oximations that are used in the literature to study condensed gases. Numerical calculations of the (zero-temperature) Bogoliubov quasi-particle excitation frequencies are found to be in excellent agreement with the experimental results. The finite-temperature properties of condensed gases are examined using the Popov approximation (of the HFB theory) and a simple two-gas model. Specific, quantitative comparisons are made with experimental results for finite-temperature excitation frequencies. Qualitative comparisons are made between the results of the Popov approximation, two-gas model, and other published models for condensate fraction and thermal density distribution. The time-independent mean-field theories are found to be in excellent agreement with experimental results at relatively low temperatures (high condensate fractions). However, at higher temperatures (and condensate fractions of less than 50%) there are significant discrepancies between experimental data and theoretical calculations. This work was undertaken at the University of Maryland at College Park and was supported in part by the National Science Foundation (PHY-9601261) and the U.S. Office of Naval Research.

Some concepts in condensed phase chemical kinetics

International Nuclear Information System (INIS)

Adelman, S.A.

1986-01-01

Some concepts in condensed phase chemical kinetics which have emerged from a recent rigorous statistical mechanical treatment of condensed phase chemical reaction dynamics (S.A. Adelman, Adv. Chem. Phys.53:61 (1983)) are discussed in simple physical terms

Dropwise condensation on hydrophobic bumps and dimples

Science.gov (United States)

Yao, Yuehan; Aizenberg, Joanna; Park, Kyoo-Chul

2018-04-01

Surface topography plays an important role in promoting or suppressing localized condensation. In this work, we study the growth of water droplets on hydrophobic convex surface textures such as bumps and concave surface textures such as dimples with a millimeter scale radius of curvature. We analyze the spatio-temporal droplet size distribution under a supersaturation condition created by keeping the uniform surface temperature below the dew point and show its relationship with the sign and magnitude of the surface curvature. In particular, in contrast to the well-known capillary condensation effect, we report an unexpectedly less favorable condensation on smaller, millimeter-scale dimples where the capillary condensation effect is negligible. To explain these experimental results, we numerically calculated the diffusion flux of water vapor around the surface textures, showing that its magnitude is higher on bumps and lower on dimples compared to a flat surface. We envision that our understanding of millimetric surface topography can be applied to improve the energy efficiency of condensation in applications such as water harvesting, heating, ventilation, and air conditioning systems for buildings and transportation, heat exchangers, thermal desalination plants, and fuel processing systems.

Diagnosis of condensation-induced waterhammer: Case studies

International Nuclear Information System (INIS)

Izenson, M.G.; Rothe, P.H.; Wallis, G.B.

1988-10-01

This guidebook provides reference material and diagnostic procedures concerning condensation-induced waterhammer in nuclear power plants. Condensation-induced waterhammer is the most damaging form of waterhammer, and its diagnosis is complicated by the complex nature of the underlying phenomena. In Volume 1, the guidebook groups condensation-induced waterhammers into five event classes which have similar phenomena and levels of damage. Diagnostic guidelines focus on locating the event center where condensation and slug acceleration take place. Diagnosis is described in three stages: an initial assessment, detailed evaluation and final confirmation. Graphical scoping analyses are provided to evaluate whether an event from one of the event classes could have occurred at the event center. Examples are provided for each type of waterhammer. Special instructions are provided for walking down damaged piping and evaluating damage due to waterhammer. To illustrate the diagnostic methods and document past experience, six case studies have been compiled in Volume 2. These case studies, based on actual condensation-induced waterhammer events at nuclear plants, present detailed data and work through the event diagnosis using the tools introduced in the first volume. 20 refs., 21 figs., 6 tabs

Energy condensed packaged systems. Composition, production, properties

Directory of Open Access Journals (Sweden)

Igor L. Kovalenko

2015-03-01

Full Text Available In this paper it is presented the substantiation of choice of fuel phase composition and optimal technology of emulsion production on the basis of binary solution of ammonium and calcium nitrates, which provide the obtaining of energy condensed packaged systems with specified properties. The thermal decomposition of energy condensed systems on the basis of ammonium nitrate is investigated. It is shown that the fuel phase of emulsion systems should be based on esters of polyunsaturated acids or on combinations thereof with petroleum products. And ceresin or petroleum wax can be used as the structuring additive. The influence of the technology of energy condensed systems production on the physicochemical and detonation parameters of emulsion explosives is considered. It is shown the possibility of obtaining of emulsion systems with dispersion of 1.3...1.8 microns and viscosity higher than 103 Pa∙s in the apparatus of original design. The sensitizing effect of chlorinated paraffin CP-470 on the thermolysis of energy condensed emulsion system is shown. The composition and production technology of energy condensed packaged emulsion systems of mark Ukrainit-P for underground mining in mines not dangerous on gas and dust are developed.

Design of spiral fin type condenser for hydrogen cryogenic distillation column

International Nuclear Information System (INIS)

Iwai, Yasunori; Nishi, Masataka; Yamanishi, Toshihiko

2005-08-01

The purpose of this paper is the proposal of new concept condenser for hydrogen cryogenic distillation column of Hydrogen Isotope Separation System (ISS) in a fusion reactor, and the establishment of numerical evaluation method of the hydrogen isotope inventory in the condenser. A large amount of hydrogen isotopes including high concentration of tritium, radioactive hydrogen isotope, has been handled in the cryogenic distillation column. Therefore, from the safety point of view, cryogenic coolant tube was commonly arranged to surround the condensed area to prevent the mixing of tritium into the coolant. This inevitable arrangement leads the difficulty in the minimization of the condenser. The scale of condenser has influence on the scale of the ISS and its earthquake-resistance. The spiral fin type condenser, which introduces fins inside it and in coolant tube to enhance heat exchange, is proposed as a new concept condenser for hydrogen cryogenic distillation column to miniaturize the condenser. The volume of spiral fin type condenser is estimated to become less than half of that of coil tube type condenser currently in use. Accordingly, it is found that the adoption of spiral fin type condenser realizes the significant miniaturization of the ISS. Moreover, the numerical evaluation method of the hydrogen isotope inventory in the condenser is proposed. The validity of this method was confirmed by the experimental data. The synthetic design of the condenser for the hydrogen cryogenic distillation column is achieved by the combination of the proposed new concept condenser with the numerical evaluation method of the hydrogen isotope inventory. (author)

Containment condensing heat transfer

International Nuclear Information System (INIS)

Gido, R.G.; Koestel, A.

1983-01-01

This report presents a mechanistic heat-transfer model that is valid for large scale containment heat sinks. The model development is based on the determination that the condensation is controlled by mass diffusion through the vapor-air boundary layer, and the application of the classic Reynolds' analogy to formulate expressions for the transfer of heat and mass based on hydrodynamic measurements of the momentum transfer. As a result, the analysis depends on the quantification of the shear stress (momentum transfer) at the interface between the condensate film and the vapor-air boundary layer. In addition, the currently used Tagami and Uchida test observations and their range of applicability are explained

Experimental study of condensate subcooling with the use of a model of an air-cooled condenser

Science.gov (United States)

Sukhanov, V. A.; Bezukhov, A. P.; Bogov, I. A.; Dontsov, N. Y.; Volkovitsky, I. D.; Tolmachev, V. V.

2016-01-01

Water-supply deficit is now felt in many regions of the world. This hampers the construction of new steam-turbine and combined steam-and-gas thermal power plants. The use of dry cooling systems and, specifically, steam-turbine air-cooled condensers (ACCs) expands the choice of sites for the construction of such power plants. The significance of condensate subcooling Δ t as a parameter that negatively affects the engineering and economic performance of steam-turbine plants is thereby increased. The operation and design factors that influence the condensate subcooling in ACCs are revealed, and the research objective is, thus, formulated properly. The indicated research was conducted through physical modeling with the use of the Steam-Turbine Air-Cooled Condenser Unit specialized, multipurpose, laboratory bench. The design and the combined schematic and measurement diagram of this test bench are discussed. The experimental results are presented in the form of graphic dependences of the condensate subcooling value on cooling ratio m and relative weight content ɛ' of air in steam at the ACC inlet at different temperatures of cooling air t ca ' . The typical ranges of condensate subcooling variation (4 ≤ Δ t ≤ 6°C, 2 ≤ Δ t ≤ 4°C, and 0 ≤ Δ t ≤ 2°C) are identified based on the results of analysis of the attained Δ t levels in the ACC and numerous Δ t reduction estimates. The corresponding ranges of cooling ratio variation at different temperatures of cooling air at the ACC inlet are specified. The guidelines for choosing the adjusted ranges of cooling ratio variation with account of the results of experimental studies of the dependences of the absolute pressure of the steam-air mixture in the top header of the ACC and the heat flux density on the cooling ratio at different temperatures of cooling air at the ACC inlet are given.

Modeling the Phase Composition of Gas Condensate in Pipelines

Science.gov (United States)

Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

2016-10-01

Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.