Relevant bibliographies by topics / Ion-molecular reactions

Academic literature on the topic 'Ion-molecular reactions'

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Published: 10 December 2022
Last updated: 28 January 2023

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Journal articles on the topic "Ion-molecular reactions"

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Brutschy, Bernhard. "Ion-molecule reactions within molecular clusters." Chemical Reviews 92, no. 7 (November 1992): 1567–87. http://dx.doi.org/10.1021/cr00015a005.

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BRUTSCHY, B. "ChemInform Abstract: Ion-Molecule Reactions within Molecular Clusters." ChemInform 24, no. 22 (August 20, 2010): no. http://dx.doi.org/10.1002/chin.199322334.

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Cindro, N. "Resonances and nuclear molecular configurations in heavy-ion reactions." Annales de Physique 13, no. 4 (1988): 289–324. http://dx.doi.org/10.1051/anphys:01988001304028900.

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Raksit, A. B., and D. K. Bohme. "Flow-tube studies of reactions of selected ions with cyanoacetylene." Canadian Journal of Chemistry 63, no. 4 (April 1, 1985): 854–61. http://dx.doi.org/10.1139/v85-142.

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Rate constants and product distributions have been determined for ion/molecule reactions of cyanoacetylene (HC3N) with He+, C+(2P), CH3+, C2+, C2H+, C2H2+, CN+, C2N+, C2N2+, N2+, CO+, H3+, N2H+, HCO+, C2H3+, H3O+, CH3NO2H+, CH3CNH+, (CH3)2COH+, i-C3H7OH2, C3H+, and C4N+. The measurements were performed with the selected-ion flow-tube (SIFT) technique at 296 ± 2 K. The observed reactions exhibit a variety of pathways including charge transfer, proton transfer, condensation, and association. The condensation and association reactions are suited for molecular growth by ion/molecule reactions. Special consideration is given to the active role of cyanoacetylene in the possible molecular synthesis which occurs in dense interstellar gas clouds by ion/molecule reactions.
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Fordham, P., M. Deschasse, V. Haldys, J. Tortajada, and J. P. Morizur. "Gas-Phase Reactivity of Copper Cations with Ketones." European Journal of Mass Spectrometry 7, no. 4-5 (August 2001): 313–20. http://dx.doi.org/10.1255/ejms.441.

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Gas-phase ion–molecule reactions between copper ions and ketones were investigated. Organometallic adducts were prepared using a chemical ionisation/fast-atom bombardment source. Abundant pseudo-molecular ion adducts were observed in the Cu+-chemical ionisation mass spectra and their unimolecular decompositions were studied by tandem mass spectrometry. Mass-analysed ion kinetic energy spectroscopy revealed diagnostic fragmentation patterns. Losses of alkenes, losses of alkanes and dehydrogenation and dehydration reactions were observed, as well as eliminations of CuR (R = C nH2 n + 1). The rich reaction chemistry of the cationised ketones enabled differentiation of the majority of the linear and branched ketone isomers studied. Isotope-labelled derivatives were employed to elucidate fragmentation mechanisms.
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Philippe, L., T. Hirayama, M. J. Ramage, G. Comtet, M. Rose, L. Hellner, and G. Dujardin. "Molecular reactions in condensed carbon monoxide studied by ion photodesorption." Journal of Chemical Physics 106, no. 17 (May 1997): 7072–79. http://dx.doi.org/10.1063/1.473729.

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Tosi, Paolo, Wenyun Lu, Raffaele Correale, and Davide Bassi. "Production of the molecular dication ArC2+ by ion–molecule reactions." Chemical Physics Letters 310, no. 1-2 (August 1999): 180–82. http://dx.doi.org/10.1016/s0009-2614(99)00621-1.

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Nishi, N., and H. Shinohara. "Intra-cluster ion-molecule reactions and photodissociation of molecular clusters." Zeitschrift f�r Physik D Atoms, Molecules and Clusters 12, no. 1-4 (March 1989): 269–71. http://dx.doi.org/10.1007/bf01426952.

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Sun, Dayong, Ziyang Liu, Zhiqiang Liu, Xinghua Guo, Chunyang Hao, Wenguo Xu, and Shuying Liu. "Gas Phase Derivations of Endohedral Metallofullerenes by Ion-Molecular Reactions." Fullerene Science and Technology 5, no. 7 (December 1997): 1461–77. http://dx.doi.org/10.1080/15363839708013333.

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Viswanadham, Somayajula K., David M. Hercules, Emanuel M. Schreiber, Robert R. Weller, and C. S. Giam. "Ion-molecular reactions in the negative ion laser mass spectra of aromatic nitro compounds." Analytical Chemistry 60, no. 21 (November 1988): 2346–53. http://dx.doi.org/10.1021/ac00172a007.

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Dissertations / Theses on the topic "Ion-molecular reactions"

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Bass, Mark James. "Velocity mapping of elementary bimolecular reactions." Thesis, University of Oxford, 2004. http://ora.ox.ac.uk/objects/uuid:ea381f05-6a68-435f-91d6-30d14a8c8dc4.

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A new and flexible velocity-map ion imaging apparatus, designed for the study of photodissociation processes and photon-initiated bimolecular reactions in a single molecular beam, has been constructed, developed and characterised. An image Legendre moment fitting analysis was developed to allow recovery of centre-of-mass (CM) angular scattering and kinetic energy release distributions from velocity-map ion images of the products of photon-initiated bimolecular reactions. The Legendre moment analysis methodology has been applied to images of the HCl(v' = 0,j' = 0-6) products of the reactions of Cl(²P3/2) atoms with ethane and n-butane at collision energies of 0.24 eV and 0.32 eV respectively. The Cl(²P3/2) reactants were generated by polarised laser photodissociation of Cl₂ at 355 nm. For reaction with ethane, the CM angular scattering distributions show a steady trend from forward scattering at low j' to more isotropic, but backward peaking, scattering at high j'. An impact parameter-based mechanism is proposed to account for the observed dynamics. Abstraction of a hydrogen atom from a primary carbon site in n-butane is seen to produce rotationally very cold HCl products that are forward scattered, whereas H atom abstraction from a secondary carbon site in n-butane yields more isotropically scattered HCl products formed with higher rotational excitation. A peripheral mechanism is proposed to operate for the primary abstraction channel, whilst a more rebound type mechanism is seen to account for the dynamics of the secondary abstraction channel. Around 22% and 30% of the available energy is found in internal modes of the alkyl radical co-products of the Cl + C₂H₆ and Cl + n-C₄H₁₀ reactions respectively. Possible sources of alkyl co-product excitation are discussed in each case. The hydrogen or deuterium atom abstraction reactions of Cl(²P3/2) with CH₄, CD₄ and CH₃D, have been studied at mean collision energies around 0.3 eV. Chlorine atom reactants were generated by polarised laser photodissociation of Cl₂ at 308 nm. The methyl radical products were detected using (2+1) resonance-enhanced multi-photon ionisation, coupled with velocity-map ion imaging. The laboratory frame speed distributions obtained from the images are in excellent agreement with previous work. The interpretation of the experiments is shown to be very sensitive to assumptions made about the reactant velocity distributions. If these are assumed to be narrow, the data are seen to suggest that a significant fraction of the product signal must arise from the reaction of Cl with vibrationally excited methane reactants. This conclusion is in agreement with previous photon-initiated reaction studies. However, by allowing for the spread in collision energies in the molecular beam, it is shown that it is possible to fit the data sensibly assuming reaction with vibrational ground state methane alone. CM angular scattering distributions thereby derived are presented for all three reactions.
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Oldham, James Martin. "Combination of a cold ion and cold molecular source." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:ef33adcb-609a-4329-b4d8-aca8a1c48661.

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This thesis describes the combination of two sources of cold atomic or molecular species which can be used to study a wide range of ion-molecule reactions. The challenges in forming these species and in determining the fate of reactive events are explored throughout. Reactions occur in a volume within a radio-frequency ion trap, in which ions have previously been cooled to sub-Kelvin temperatures. Ions are laser-cooled, with migration of ions slowed sufficiently to form a quasi-crystalline spheroidal structure, deemed a Coulomb crystal. Fluorescence emitted as a consequence of laser-cooling is detected; the subsequent fluorescence profiles are used to determine the number of ions in the crystal and, in combination with complementary simulations, the temperature of these ions. Motion imparted by trapping fields can be substantial and simulations are required to accurately determine collision energies. A beam of decelerated molecules is aimed at this stationary ion target. An ammonia seeded molecular beam enters a Stark decelerator, based on the original design of Meijer and co-workers. The decelerator uses time-varying electric fields to remove kinetic energy from the molecules, which exit at speeds down to 35 m/s. A fast-opening shutter and focussing elements are subsequently used to maximise the decelerated flux in the reaction volume while minimising undecelerated molecule transmission. Substantial fluxes of decelerated ammonia are obtained with narrow velocity distributions to provide a suitable source of reactant molecules. Combination of these two techniques permits studies of reactions between atomic ions and decelerated molecules that can be entirely state-specific. Changes in the Coulomb crystal fluorescence profile denote changes in the ion identities, the rate of these changes can be used to obtain rate constants. Determination of rate constants is even possible despite the fact that neither reactant nor product ions are directly observed. This work has studied reactions between sympathetically cooled Xe+ ions and guided ND3 and has obtained data consistent with prior studies. Determination of reactive events is complicated if ion identities can change without affecting the fluorescence profile, or if multiple reaction channels are possible. A range of spectroscopic techniques are discussed and considered in regards to determining rate constants and product identities. Pulsed axial excitation of trapped ions can follow rapid changes in average ion weights and subtle changes for small crystals. Time-of-flight mass spectrometry is also demonstrated using the trapping electrodes and is suitable for discrimination of ions formed within the trap.
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Ricketts, C. L. "The reactions of the molecular nitrogen doubly charged ion with neutral molecules of relevance to planetary ionospheres." Thesis, University College London (University of London), 2007. http://discovery.ucl.ac.uk/1445822/.

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Diatomic dications (e.g. C02+) have been known to exist for several decades and are believed to be important components of energised media. Molecular dications possess significant internal energy due to the Coulombic repulsion of their two positive charges, meaning that many possible reaction channels are available to dications in a collision with a neutral molecule. Modellers have recently predicted that N22+ is present in the ionosphere of Earth and Titan as well as the dications C > 22+ and 02+ in the ionosphere of Earth and CC > 22+ in the ionosphere of Mars. These recent predictions, of dications in planetary ionospheres, imply that dications, and processes involving dication-neutral collisions, may have more significance than previously thought in the upper atmospheres of planets. Therefore this thesis describes a study of the reactions between N2 dications and neutrals, potentially of relevance to the ionosphere of Earth and Titan. A position sensitive coincidence (PSCO) time-of flight (TOF) mass spectrometer is used to probe the reactivity, energetics and dynamics of the bimolecular reactions of N22 . Dication-neutrals reactions often result in a pair of singly charged ions. The PSCO experiment is used to collect these pairs of singly-charged ions in coincidence. From the position-sensitive data we extract the velocity vectors of the product ions, and if the reaction of interest involves the formation of a third, undetected, neutral species, its velocity can be determined via conservation of momentum. The electron transfer reactions between dications and neutrals have been well rationalized 2+ previously, so only the electron transfer reactions of N2 with Ne and NO are discussed in this thesis. This thesis concentrates on probing the less well rationalized, bond- forming reactions between dications and neutrals. The bond-forming reactions of N22+ with O2, CO2, H2O, C2H2, CH4, H2 and Ar have been investigated and discussed. Several new bond-forming reactions mechanisms are derived for example, the bond-forming reactions of N22+ with O2 proceed via a 'long' lived complex which dissociates via loss of a neutral and then charge separation, a mechanism which is also operating for one of the bond-forming reactions of N2 with CO2 and N2 with H2O. Additional bond-forming reactions are detected for N22+ with CO2 and H2O, which proceed via shorter lived collision complexes. The reactions of N22+ with C2H2, CH4, H2 and Ar all proceed via a variety of mechanisms involving short-lived collision complexes or H and electron stripping.
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Yahia, Marei Abdelrahim Mohamed. "Bio(molecular) control of selective ion transport, gas separation and catalytic enzyme-based reactions using functionalized membranes." Thesis, Montpellier, 2015. http://www.theses.fr/2015MONTS251/document.

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Différents travaux de recherche ont été décrits dans cette thèse. Les travaux de recherche peuvent être résumés comme suit. Le premier chapitre a porté sur l'identification d’inhibiteurs puissants efficaces vis-à-vis de de l'isoenzyme anhydrase carbonique humaine I (hCAI). Considérant l'importance pharmacologique de trouver des inhibiteurs (CAIs) et des activateurs (AACs) sélectifs aux isoformes de l’anhydrase carbonique ), l'anhydrase carbonique humaine I (hCAI) a été confrontée en parallèle à diverses bibliothèques dynamiques constitutionnelles (CDL). Dans le deuxième chapitre, des réseaux constitutionnels dynamiques ont été préparés sous forme de systèmes membranaires liquides et solides agissant comme un réseau pour le transport spécifique des ions lanthanides. Le transport est basé sur la capacité de complexation des lanthanides (La + 3, Lu + 3, Eu + 3) avec les groupes polyéther fonctionnels situés dans les matériaux membranaires. Dans le troisième chapitre, l'approche proposée consiste en l'utilisation de membranes liquides ioniques supportées (SILMs) comprenant deux enzymes différentes de l'anhydrase carbonique, l’enzyme thermo-résistante SspCA et l'enzyme bovine-CA, qui catalysent la réaction de conversion réversible du CO2 en bicarbonate en favorisant la force motrice vers le transport de CO2. La stabilité des membrane, leur perméabilité vis-à-vis de CO2 et de N2 ainsi que la sélectivité idéale (CO2 / N2) ont été déterminées pour les membranes développées. Le quatrième chapitre porte sur la synthèse et la caractérisation de membranes polymères denses pour une application en séparation de gaz. Les mesures de perméabilité aux gaz des membranes polymères synthétisées ont montré que la perméabilité de CO2 est supérieure à celle des autres gaz testés (CH4 et N2). Dans le dernier chapitre, des membranes de PVDF ont été fonctionnalisées avec une enzyme, la phosphotriestérase (PTE), selon deux méthodes différentes pour construire un réacteur à membrane biocatalytique (BMR) avec pour finalité la bioconversion et la séparation sélective du substrat paraoxon. La première méthode met en œuvre une dispersion réversible de nanoparticules magnétiques de PTE qui est immobilisée à la surface de la membrane de PVDF sous l’effet d'un champ magnétique externe. A l’inverse, la seconde méthode porte sur le greffage chimique de l'enzyme PTE, après modification de la surface de la membrane de PVDF native (DAMP-GA-enzymatique). Les deux techniques d'immobilisation d'enzymes ont montré une bonne efficacité et une sensibilité à l'égard de la bioconversion du paraoxon dans les différentes conditions appliquées dans un réacteur à membrane biocatalytique (BMR).De façon globale, les concepts développés dans ce travail de thèse permettront d’ouvrir de nouvelles pistes de recherche allant vers le développement d'une membrane polymère sélective au transport d’ions, de gaz mais aussi active dans les réactions catalytiques enzymatiques grâce à un contrôle bio-moléculaire au niveau des matériaux membranaires
Different research works have been described in this thesis. The research works can be summarized as the following. The first chapter deals with the identification of effective potent inhibitors for the human carbonic anhydrase I (hCAI) isozyme. Considering the pharmacological importance to find selective CA inhibitors (CAIs) and CA activators (CAAs), human carbonic anhydrase I (hCAI) has been subjected to a parallel screening of various constitutional dynamic libraries (CDL). In the second chapter, constitutional dynamic networks have been used in liquid and solid membrane systems as a carrier network for transporting lanthanides. The transport is based on the complexing ability of lanthanides metals (La+3, Lu+3, and Eu+3) with the functional polyether groups in the membrane materials. In the third chapter, the proposed approach consists in using supported ionic liquid membranes (SILMs) comprising two different carbonic anhydrase enzymes, the thermo-resistant SspCA enzyme and the Bovine-CA enzyme, which catalyze the reaction of reversible conversion of CO2 to bicarbonate, enhancing the driving force for CO2 transport. Membrane stability, CO2 and N2 permeability and (CO2/N2) ideal selectivity were determined for the membranes developed. In the fourth chapter, the research work consists in the synthesis and characterization of dense polymeric membranes for gas separation application. The gas permeability measurements for the synthesized polymeric membranes showed that the permeability of CO2 is higher than other used gases (N2 and CH4). In the last chapter, two different methods of PVDF membrane functionalization with a phosphotriesterase (PTE) enzyme have been developed to construct biocatalytic membrane reactor (BMR) for bioconversion and selective separation of paraoxon substrate. The first method employs reversible dispersion of magnetic nanoparticle immobilized with PTE using an external magnetic field on the surface of native PVDF membrane. On the contrary, the second method comprises chemical grafting of the PTE enzyme, after surface modification of the native PVDF membrane (DAMP-GA-Enzyme). Both methods of enzyme immobilization showed good efficiency and sensitivity towards the bioconversion of paraoxon substrate at different conditions applied in a biocatalytic membrane reactor (BMR).In general, the concepts developed in this thesis research work will help bring new tracks on the way to the development of a polymeric membrane for selective ion and gas separation but also for selective catalytic reaction under bio(molecular) control
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De, Palatis Michael V. "Production of cold barium monohalide ions." Diss., Georgia Institute of Technology, 2013. http://hdl.handle.net/1853/50251.

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Ion traps are an incredibly versatile tool which have many applications throughout the physical sciences, including such diverse topics as mass spectrometry, precision frequency metrology, tests of fundamental physics, and quantum computing. In this thesis, experiments are presented which involve trapping and measuring properties of Th³⁺. Th³⁺ ions are of unique interest in part because they are a promising platform for studying an unusually low-lying nuclear transition in the 229Th nucleus which could eventually be used as an exceptional optical clock. Here, experiments to measure electronic lifetimes of Th³⁺ are described. A second experimental topic explores the production of sympathetically cooled molecular ions. The study of cold molecular ions has a number of applications, some of which include spectroscopy to aid the study of astrophysical objects, precision tests of quantum electrodynamics predictions, and the study of chemical reactions in the quantum regime. The experiments presented here involve the production of barium monohalide ions, BaX⁺ (X = F, Cl, Br). This type of molecular ion proves to be particularly promising for cooling to the rovibrational ground state. The method used for producing BaX⁺ ions involves reactions between cold, trapped Ba⁺ ions and neutral gas phase reactants at room temperature. The Ba⁺ ion reaction experiments presented in this thesis characterize these reactions for producing Coulomb crystals composed of laser cooled Ba⁺ ions and sympathetically cooled BaX⁺ ions.
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Attah, Isaac Kwame. "BINDING ENERGIES AND SOLVATION OF ORGANIC MOLECULAR IONS, REACTIONS OF TRANSITION METAL IONS WITH, AND PLASMA DISCHARGE IONIZATION OF MOLECULAR CLUSTERS." VCU Scholars Compass, 2013. http://scholarscompass.vcu.edu/etd/525.

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In this dissertation, different approaches have been employed to address the quest of understanding the formation and growth mechanisms of carbon-containing molecular ions with relevance to astrochemistry. Ion mobility mass spectrometry and DFT computations were used to investigate how a second nitrogen in the pyrimidine ring will affect the formation of a covalent bond between the benzene radical cation and the neutral pyrimidine molecule, after it was shown that a stable covalent adduct can be formed between benzene radical cation and the neutral pyridine. Evidence for the formation of a more stable covalent adduct between the benzene radical cation and the pyrimidine is reported here. The effect of substituents on substituted-benzene cations on their solvation by an HCN solvent was also investigated using ion mobility mass spectrometry and DFT computations were also investigated. We looked at the effect of the presence of electron-withdrawing substituents in fluorobenzene, 1,4 di- fluorobenzene, and benzonitrile on their solvation by up to four HCN ligands, and compared it to previous work done to determine the solvation chemistry of benzene and phenylacetylene by HCN. We report here the observed increase in the binding of the HCN molecule to the aromatic ring as the electronegativity of the substituent increased. We also show in this dissertation, DFT calculations that reveal the formation of both hydrogen-bonded and electrostatic isomers, of similar energies for each addition to the ions respectively. The catalytic activity of the 1st and 2nd row TM ions towards the polymerization of acetylene done using the reflectron time of flight mass spectrometry and DFT calculations is also reported in this dissertation. We explain the variation in the observed trend in C-H/C-C activity of these ions. We also report the formation of carbide complexes by Zr+, Nb+, and Mo+, with the acetylene ligands, and show the thermodynamic considerations that influence the formation of these dehydrogenated ion-ligand complexes. Finally, we show in this dissertation, a novel ionization technique that we employed to generate ions that could be relevant to the interstellar and circumstellar media using the reflectron time of flight mass spectrometry.
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Barthel, Robert. "Growth of unsaturated, cyclic, and polycyclic aromatic hydrocarbons: Reactions under the conditions of the interstellar medium." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2009. http://nbn-resolving.de/urn:nbn:de:bsz:14-ds-1238024025498-21465.

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Hydrocarbons, in particular polycyclic aromatic hydrocarbons (PAHs), have been long discussed to be carriers of interstellar infrared (IR) emission and ultraviolet (UV) absorption features. Yet, their origin in dense phases of the interstellar medium (ISM), such as molecular clouds, remains unclear. In this work, growth mechanisms based on ion-molecule reactions between cationic PAHs/hydrocarbons and methyne (CH) were investigated. The reaction type and the precursor were derived and selected from known chemical and physical properties of the ISM. These chemical reactions were characterised by calculating branching ratios (based on cross sections) and capture rate coefficients, minimum reaction paths, reaction enthalpies, thermal equilibrium constants, and microcanonic isomerisation and radiative deactivation rate coefficients. In order to cope with the variety of reaction parameters, a hierarchic workflow scheme was set up. First, the reaction potential energy surface was sampled by molecular dynamics simulations. Then, minimum energy paths of the most probable reaction channels were investigated. Finally, molecular and kinetic properties of stationary points were calculated. The quantum chemical level of theory was increased at each step from DFTB (tight-binding density-functional), to DFT, and finally to post-Hartree-Fock methods. Results on CH based hydrocarbon growth showed the transition from non-cyclic hydrocarbons to cyclic and aromatic structures and from cyclic to polycyclic aromatic hydrocarbons. Additionally, the reactive collisions between hydrocarbons and CH were found to produce sufficient energy for isomerisation and fragmentation processes even at ultra low temperatures. In all, the results indicate that methyne might be a proper precursor for the formation of large interstellar PAHs
Kohlenwasserstoffe, insbesondere polyzyklische Kohlenwasserstoffe (engl. PAHs), werden seit einigen Jahren als Mitverursacher interstellar IR-Emissions- und UV-Absorptionsbanden angesehen und diskutiert. Dabei ist die Herkunft dieser Moleküle in den dichten Phasen des interstellaren Mediums (ISM) aber noch nicht aufgeklärt. In dieser Arbeit wurden daher die Bildungsmechanismen, welche auf Ion-Molekül-Reaktionen zwischen kationischen PAHs und Kohlenwasserstoffen und dem Molekül CH beruhen, untersucht. Sowohl der Reaktionstyp als auch der Präkursor wurden anhand von bekannten physikalischen und chemischen Eigenschaften des ISM abgeleitet und ausgewählt. Die Analyse der chemischen Reaktionen basierte auf Berechnungen zur Produktzusammensetzung und Einfangsratenkoeffizienten (welche wiederum aus berechneten Reaktionsquerschnitten hervorgingen) Minimumenergiepfade (MEP), Reaktionsenthalpien, thermische Gleichgewichtskonstanten und mikrokanonische Isomerisierungs- und Strahlungsdeaktivierungs-Ratenkoeffizienten. Um der Vielzahl an Reaktionsparameter gerecht zu werden, wurden die Berechnungsmethoden entsprechend eines hierarischen Fließschemas kombiniert. Hierzu wurden zuerst durch Molekulardynamik-Simulationen die Reaktionspotentialenergieflächen abgerastert. Auf der nächsten Stufe wurden statistisch bedeutsame Reaktionskanäle bezüglich ihrer Minimumenergiepfade untersucht. Den Abschluss bildete die Berechnung molekularer und kinetischer Charakteristika stationärer Punkte auf einem MEP. Entsprechend dieses Schemas wurde die quantenchemische Genauigkeit auf jeder Stufe von approximativer DFT über DFT zu post-Hartree-Fock verändert. Die Ergebnisse des CH-basierten Kohlenwasserstoffwachstums zeigten einen Übergang von nichtzyklischen zu zyklischen and aromatischen Strukturen, sowie von zyklischen zu polyzyklischen Kohlenwasserstoffen. Außerdem zeigte sich, dass reaktive Kollisionen zwischen Kohlenwasserstoffen und CH auch bei Tiefsttemperaturen immer ausreichend Energie für Isomerisierungs- und Fragmentationsprozesse liefert. Die Ergebnisse dieser Arbeit lassen den Schluss zu, dass CH ein geeigneter Präkursor für die Bildung großer interstellarer PAH ist
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Barthel, Robert. "Growth of unsaturated, cyclic, and polycyclic aromatic hydrocarbons: Reactions under the conditions of the interstellar medium." Doctoral thesis, Technische Universität Dresden, 2008. https://tud.qucosa.de/id/qucosa%3A23589.

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Hydrocarbons, in particular polycyclic aromatic hydrocarbons (PAHs), have been long discussed to be carriers of interstellar infrared (IR) emission and ultraviolet (UV) absorption features. Yet, their origin in dense phases of the interstellar medium (ISM), such as molecular clouds, remains unclear. In this work, growth mechanisms based on ion-molecule reactions between cationic PAHs/hydrocarbons and methyne (CH) were investigated. The reaction type and the precursor were derived and selected from known chemical and physical properties of the ISM. These chemical reactions were characterised by calculating branching ratios (based on cross sections) and capture rate coefficients, minimum reaction paths, reaction enthalpies, thermal equilibrium constants, and microcanonic isomerisation and radiative deactivation rate coefficients. In order to cope with the variety of reaction parameters, a hierarchic workflow scheme was set up. First, the reaction potential energy surface was sampled by molecular dynamics simulations. Then, minimum energy paths of the most probable reaction channels were investigated. Finally, molecular and kinetic properties of stationary points were calculated. The quantum chemical level of theory was increased at each step from DFTB (tight-binding density-functional), to DFT, and finally to post-Hartree-Fock methods. Results on CH based hydrocarbon growth showed the transition from non-cyclic hydrocarbons to cyclic and aromatic structures and from cyclic to polycyclic aromatic hydrocarbons. Additionally, the reactive collisions between hydrocarbons and CH were found to produce sufficient energy for isomerisation and fragmentation processes even at ultra low temperatures. In all, the results indicate that methyne might be a proper precursor for the formation of large interstellar PAHs.
Kohlenwasserstoffe, insbesondere polyzyklische Kohlenwasserstoffe (engl. PAHs), werden seit einigen Jahren als Mitverursacher interstellar IR-Emissions- und UV-Absorptionsbanden angesehen und diskutiert. Dabei ist die Herkunft dieser Moleküle in den dichten Phasen des interstellaren Mediums (ISM) aber noch nicht aufgeklärt. In dieser Arbeit wurden daher die Bildungsmechanismen, welche auf Ion-Molekül-Reaktionen zwischen kationischen PAHs und Kohlenwasserstoffen und dem Molekül CH beruhen, untersucht. Sowohl der Reaktionstyp als auch der Präkursor wurden anhand von bekannten physikalischen und chemischen Eigenschaften des ISM abgeleitet und ausgewählt. Die Analyse der chemischen Reaktionen basierte auf Berechnungen zur Produktzusammensetzung und Einfangsratenkoeffizienten (welche wiederum aus berechneten Reaktionsquerschnitten hervorgingen) Minimumenergiepfade (MEP), Reaktionsenthalpien, thermische Gleichgewichtskonstanten und mikrokanonische Isomerisierungs- und Strahlungsdeaktivierungs-Ratenkoeffizienten. Um der Vielzahl an Reaktionsparameter gerecht zu werden, wurden die Berechnungsmethoden entsprechend eines hierarischen Fließschemas kombiniert. Hierzu wurden zuerst durch Molekulardynamik-Simulationen die Reaktionspotentialenergieflächen abgerastert. Auf der nächsten Stufe wurden statistisch bedeutsame Reaktionskanäle bezüglich ihrer Minimumenergiepfade untersucht. Den Abschluss bildete die Berechnung molekularer und kinetischer Charakteristika stationärer Punkte auf einem MEP. Entsprechend dieses Schemas wurde die quantenchemische Genauigkeit auf jeder Stufe von approximativer DFT über DFT zu post-Hartree-Fock verändert. Die Ergebnisse des CH-basierten Kohlenwasserstoffwachstums zeigten einen Übergang von nichtzyklischen zu zyklischen and aromatischen Strukturen, sowie von zyklischen zu polyzyklischen Kohlenwasserstoffen. Außerdem zeigte sich, dass reaktive Kollisionen zwischen Kohlenwasserstoffen und CH auch bei Tiefsttemperaturen immer ausreichend Energie für Isomerisierungs- und Fragmentationsprozesse liefert. Die Ergebnisse dieser Arbeit lassen den Schluss zu, dass CH ein geeigneter Präkursor für die Bildung großer interstellarer PAH ist.
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Bull, James. "Application of Quantum Mechanics to Fundamental Interactions in Chemical Physics: Studies of Atom-Molecule and Ion-Molecule Interactions Under Single-Collision Conditions: Crossed Molecular Beams; Single-Crystal Mössbauer Spectroscopy: Microscopic Tensor Properties of ⁵⁷Fe Sites in Inorganic Ferrous High-Spin Compounds." Thesis, University of Canterbury. Department of Chemistry, 2010. http://hdl.handle.net/10092/4292.

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As part of this project and in preparation for future experimental studies of gas-phase ion-molecule reactions, extensive modification and characterization of the crossed molecular beam machine in the Department of Chemistry, University of Canterbury has been carried out. This instrument has been configured and some preliminary testing completed to enable the future study of gas-phase ion-molecule collisions of H⁺₃ and Y⁻ (Y = F, Cl, Br) with dipole-oriented CZ₃X (Z = H, F and X = F, Cl, Br). Theoretical calculations (ab initio and density functional theory) are reported on previously experimentally characterized Na + CH₃NO₂, Na + CH₃NC, and K + CH₃NC systems, and several other systems of relevance. All gas-phase experimental and theoretical studies have the common theme of studying collision orientation dependence of reaction under singlecollision conditions. Experimental measurements, theoretical simulations and calculations are also reported on some selected ferrous (Fe²⁺) high-spin (S=2) crystals, in an attempt to resolve microscopic contributions of two fundamental macroscopic tensor properties: the electric-field gradient (efg); and the mean square displacement (msd) in the case when more than one symmetry related site of low local point-group symmetry contributes to the same quadrupole doublet. These determinations have been made using the nuclear spectroscopic technique of Mössbauer spectroscopy, and complemented with X-ray crystallographic measurements.
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Lo, Monaco L. "Nucleon transfer in heavy ion reactions." Thesis, University of Oxford, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371555.

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Books on the topic "Ion-molecular reactions"

1

Sergio, Costa, ed. Critical phenomena and collective observables: Proceedings of CRIS '96, 1st Catania Relativistic Ion Studies, Acicastello, Italy, May 27-31, 1996. Singapore: World Scientific, 1996.

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A, Broglia R., Kienle P, and Bortignon P. F, eds. International School of Heavy Ion Physics: 3rd course, probing the nuclear paradigm with heavy ion reactions : Erice, Italy, 6-16 October 1993. Singapore: World Scientific, 1994.

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1935-, Stefanini A., ed. Heavy-ion fusion: Exploring the variety of nuclear properties : Padova, Italy, 25-27 May 1994. Singapore: World Scientific, 1994.

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Stefanini, A. M., G. Nebbia, and S. Lunardi. Heavy-Ion Fusion: Exploring the Variety of Nuclear Properties : Padova, Italy 25-27 May 1994. World Scientific Publishing Company, 1994.

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Insolia, A., C. Tuve, S. Albergo, and S. Costa. Critical Phenomena and Collective Observables. World Scientific Publishing Company, 1996.

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(Editor), James M. Farrar, and William H. Saunders (Editor), eds. Techniques for the Study of Ion-Molecule Reactions. Wiley-Interscience, 1988.

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Broglia, R. A., Italy) International School of Heavy Ion Physics 1993 (Erice, and P. Kienle. International School of Heavy Ion Physics: 3rd Course : Probing the Nuclear Paradigm With Heavy Ion Reactions Erice, Italy 6-16 October 1993 (The Sc). World Scientific Publishing Company, 1995.

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United States. National Aeronautics and Space Administration., ed. Thermal ion heating in the vicinity of the plasmapause: Final report, research grant NAG-5-475, October 1984 - March 1986. [Washington, DC: National Aeronautics and Space Administration, 1986.

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Book chapters on the topic "Ion-molecular reactions"

1

Ferguson, Eldon E. "Ion Molecule Reactions in Interstellar Molecular Clouds." In Molecular Astrophysics, 471–90. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5432-8_19.

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Nishi, N., and H. Shinohara. "Intra-cluster ion-molecule reactions and photodissociation of molecular clusters." In Small Particles and Inorganic Clusters, 269–71. Berlin, Heidelberg: Springer Berlin Heidelberg, 1989. http://dx.doi.org/10.1007/978-3-642-74913-1_60.

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Farrar, James. "Ion-Molecule Reactions." In Springer Handbook of Atomic, Molecular, and Optical Physics, 983–93. New York, NY: Springer New York, 2006. http://dx.doi.org/10.1007/978-0-387-26308-3_67.

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Smith, D., and N. G. Adams. "Ion-Molecule Reactions at Low Temperatures." In Molecular Astrophysics, 453–69. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5432-8_18.

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Federer, W., H. Villinger, P. Tosi, D. Bassi, E. Ferguson, and W. Lindinger. "Laboratory Studies of Ion Reactions with Atomic Hydrogen." In Molecular Astrophysics, 649–55. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5432-8_33.

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Prentice, Boone M. "Gas-Phase Ion–Ion Reactions for Lipid Identification in Biological Tissue Sections." In Methods in Molecular Biology, 3–19. New York, NY: Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-2030-4_1.

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Gargaud, Muriel, and Ronald McCarroll. "Ion-Atom Charge Transfer Reactions at Low Energies." In Springer Handbook of Atomic, Molecular, and Optical Physics, 761–73. New York, NY: Springer New York, 2006. http://dx.doi.org/10.1007/978-0-387-26308-3_51.

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Schöffler, M. S., L. Ph H. Schmidt, S. Eckart, R. Dörner, A. Czasch, O. Jagutzki, T. Jahnke, et al. "Ultra-fast Dynamics in Quantum Systems Revealed by Particle Motion as Clock." In Molecular Beams in Physics and Chemistry, 353–73. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-63963-1_17.

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AbstractTo explore ultra-fast dynamics in quantum systems one needs detection schemes which allow time measurements in the attosecond regime. During the recent decades, the pump & probe two-pulse laser technique has provided milestone results on ultra-fast dynamics with femto- and attosecond time resolution. Today this technique is applied in many laboratories around the globe, since complete pump & probe systems are commercially available. It is, however, less known or even forgotten that ultra-fast dynamics has been investigated several decades earlier even with zeptosecond resolution in ion-atom collision processes. A few of such historic experiments, are presented here, where the particle motion (due to its very fast velocity) was used as chronometer to determine ultra-short time delays in quantum reaction processes. Finally, an outlook is given when in near future relativistic heavy ion beams are available which allow a novel kind of “pump & probe” experiments on molecular systems with a few zeptosecond resolution. However, such experiments are only feasible if the complete many-particle fragmentation process can be imaged with high momentum resolution by state-of-the-art multi-particle coincidence technique.
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Ng, C. Y. "Absolute Total State-Selected Cross Sections for Ion-Molecule Reactions of Importance in Planetary Ionospheres." In Dissociative Recombination of Molecular Ions with Electrons, 401–14. Boston, MA: Springer US, 2003. http://dx.doi.org/10.1007/978-1-4615-0083-4_38.

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Ng, Cheuk-Yiu. "State-Selected and State-to-State Ion-Molecular Reaction Dynamics by Photoionization and Differential Reactivity Methods." In Advances in Chemical Physics, 401–500. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470141397.ch6.

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Conference papers on the topic "Ion-molecular reactions"

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Havener, C. C., I. N. Draganić, V. M. Andrianarijaona, Floyd D. McDaniel, and Barney L. Doyle. "Exploring Low Energy Molecular Ion Reactions With Merged Beams." In APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twenty-First International Conference. AIP, 2011. http://dx.doi.org/10.1063/1.3586066.

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Perera, Manori, Andrew Sonnenberger, Justyna Koscielniak, Danny Roadman, Steven Landeweer, Andy Justl, Lydia Rudd, Ben Lamm, and Kevin Roenitz. "PROGRESS OF A NEW INSTRUMENT TO STUDY MOLECULAR DYNAMICS OF INTERSTELLAR ION-NEUTRAL REACTIONS." In 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.tc09.

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CHEN, QI, JINTAO SUN, JIANYU LIU, and BAOMING ZHAO. "ROLES OF IONIC REACTIONSIN NANOSECOND DISCHARGE PLASMA-ASSISTED TEMPERATURE-DEPENDENT PYROLYSISAND OXIDATION OF METHANE FUEL." In 9th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena. TORUS PRESS, 2020. http://dx.doi.org/10.30826/nepcap9b-02.

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Kinetic roles of ionic reactions in nanosecond discharge (NSD) plasma-assisted temperature-dependent pyrolysis and oxidation of methane fuel were investigated by integrated studies of experimental measurements and mathematical simulation. A~detailed plasma chemistry mechanism governing the pyrolysis and oxidation processes in a He/CH4/O2 combustible mixture was proposed and studied by including a set of electron impact reactions, ionic reactions, dissociative recombination reactions, reactions involving excited species, and some important three-body recombination reactions. The calculation results of fractional power dissipated by electrons show that at the studied E/N of 78—281~Td, most of the nonequilibrium cold discharge power can be focused on the ion and radical production. The rate coefficients for CH4 and O2 ionization by electron impact increase with the increasing of E/N values, demonstrating that increasing the system temperature and, thus, the E/N values will have increasing kinetic effects on plasma-enhanced decomposition and oxidation. By modeling the reaction pathways of key ions, it is seen that O2+ presents the largest concentration in the discharge mixture, followed by CH4+, CH3+, and CH2+, which agrees well with the molecular beam mass spectrometric investigation. The calculation results further indicate that with the mixture temperature increasing, production of major ions including CH4+, CH3+, CH2, and O2+ play more and more important roles in CH4 pyrolysis and oxidation.
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Haynes, A., and P. Gouma. "Nanoengineering Polyaniline for Advanced Chemosensing Applications." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-10310.

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The focus of this study is the development of polyaniline based hybrid systems for selective room temperature detection of NO2. The electrospinning technique has been employed to produce highly dispersed nanocomposites of leucoemeraldine base polyaniline (LEB-PANI) with cellulose acetate (CA) as a secondary component. The nanocomposites exhibit sensitivity and selectivity to NO2 down to 1 ppm with response time of 70s and recovery time of 155s. Spectroscopic analyses of the nanocomposites reveal that the molecular interactions between cellulose acetate and LEB-PANI yields enhanced sensitivity and selectivity to NO2. DC electrical resistance measurements of the composite during exposure to the analyte suggest that the response mechanism has some dependency on the humidity level in the gas chamber. This is found to be partly attributed to the byproduct of hydrolyzed CA: acetic acid. Infrared spectroscopy reveals that the acetate ions from the acid and polymer transforms base groups of LEB-PANI to higher oxidized states and affix to quinoid, benzenoid, and imine groups along polyaniline’s chain. These sites operate as additional reactions sites along the polymer backbone for increased ion mobility and aid in retaining the sensor’s stability and selectivity under varying gas atmospheres. This paper details the results from sensing experimentation and classical characterization techniques in an effort to develop a paradigm for chemical sensing with CA-PANI nanocomposites.
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Bresler, Sean, Michael Heaven, and J. Park. "ENERGY POOLING, ION RECOMBINATION, AND REACTIONS OF RUBIDIUM AND CESIUM IN HYDROCARBON GASSES." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.wh10.

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Xue, S., P. Proulx, M. I. Boulos, and T. Murphy. "A Thermal and Chemical Non-Equilibrium Model for Multi-Component Ar-H2 Plasma." In ITSC2005, edited by E. Lugscheider. Verlag für Schweißen und verwandte Verfahren DVS-Verlag GmbH, 2005. http://dx.doi.org/10.31399/asm.cp.itsc2005p0305.

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Abstract A thermal and chemical non-equilibrium model is developed for the modelling of multi-component supersonic induction Ar-H2 plasma flows. The species included in the modelling are electrons(e), hydrogen ion(H+), hydrogen atoms(H), hydrogen molecules(H2), Argon ions(Ar+) and Argon atoms(Ar). The negative hydrogen ions(H-), molecular hydrogen ions(H2+) and second order ionisation are neglected. The chemical reactions considered in the modelling are the H2 dissociations and the corresponding recombination, induced by Ar atom and H2, and the ionisations of the hydrogen and Argon and the corresponding recombination. All the heavy species are assumed to have the same temperature (Ti). The electron temperature (Te) is allowed to deviate from that of heavy species. The energies for these chemical reactions have been treated as the source terms for energy conservation equations. As a result, the contributions of these chemical reactions to the total enthalpy are removed. Therefore, the heavy species temperature can be obtained by solving the thermal kinetic energy equation, rather than the total enthalpy equation. Yos’s mixing law is used to calculate the contribution of vibrational and rotational energies of hydrogen molecules to the thermal conductivity of heavy species. The transport properties are calculated using the formulas derived by Hirschfelder, Curtiss and Bird. The data of collision integrals or collision cross-sections between species in the mixture are taken from Murphy, Devoto and Mason’s publications. The binary mass diffusion coefficients between the species in the mixture are also calculated from these collision integral data. The mass diffusion of species in the mixture are modelled under the dilute approximation at present since the mole fraction of the principal species, Argon, in the whole computational region is more than 90%. For charged species, Ambipolar diffusion coefficients are used. Mass balance equations are solved to obtain the mass fractions or mole fractions or the number densities of all the species except for electrons. The electron number density is determined by the condition of electrical neutrality. The developed model is applied to the modelling of inductive plasma flow, generated by the Tekna PL-35 torch model, under different pressures and then to the supersonic plasma flow. The model has been validated by comparing the transport properties under the LTE conditions from this model with the corresponding published values.
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Lesslie, Michael, Victor Ryzhov, J. Oomens, Giel Berden, and Sandra Osburn. "COMBINING THE POWER OF IRMPD WITH ION-MOLECULE REACTIONS: THE STRUCTURE AND REACTIVITY OF RADICAL IONS OF CYSTEINE AND ITS DERIVATIVES." In 70th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2015. http://dx.doi.org/10.15278/isms.2015.wg02.

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Shiels, Oisin, Adam Trevitt, Stephen Blanksby, Gabriel Silva, P. Kelly, and Samuel Marlton. "SPECTROSCOPICALLY IDENTIFYING FROM GAS-PHASE REACTIONS OF DISTONIC BENZONITRILEH<sup>+</sup> RADICAL IONS IN AN ION-TRAP MASS SPECTROMETER." In 2021 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2021. http://dx.doi.org/10.15278/isms.2021.wb10.

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Ota, Masahiro, and Atsunobu Noguchi. "Opto-Microactuator With Low-Thermal-Conductivity Material by Laser Heating." In ASME 2002 International Mechanical Engineering Congress and Exposition. ASMEDC, 2002. http://dx.doi.org/10.1115/imece2002-32439.

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A laser opto-microactuator is proposed in this paper. The effects of the thermal-conductivity of actuator materials on rotational phenomena are discussed. The actuator with 4 flat blades made of aluminum or Pyrex glass plate was installed in a vacuum chamber. By molecular gas dynamics effects, the actuator is rotated with the irradiation of argon ion laser beam. The blade surfaces of the actuator were coated by carbon black powder for absorbing laser beam power and heating the surfaces. Just after irradiating one blade surface of the actuator by the laser, the macroscopic gas flow is induced around the actuator at non-zero Knudsen number. By the reaction of the induced flow the actuator can rotate. This is the molecular gas dynamics effects (1)(2). The rotational rate of the actuator with Pyrex glass blades is faster than that of the actuator with aluminum blades. Because Pyrex glass has about 200 times or more of lower thermal-conductivity than that of the aluminum, then Pyrex glass blades maintain a lager temperature difference between front and rear surfaces and a large molecular gas dynamics effects. Also irradiating to the glass surface, Pyrex glass rotor can rotate counter-clock-wise of irradiating to carbon-coated surface.
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TSUNEIZUMI, I., T. MEGURO, and K. YAMADA. "SUDAY ON A SUBSTANCE FUNCTIONALLY LIKE PROTEIN C IN PLASMA." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1644303.

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The present report first deals with the isolation and characterization of a substance found to demonstrate protein C like activity(PCLA). When it was activated by thrombin, the PCLA substance prolonged the activated partial thromboplastin time(aPTT). The activated PCLA substance also hydrolyzed synthetic substrates such as S�2238, S�2366 and S�2266,while the PCLA substance was not cross reacted with anti-protein C serum(Behring Manheim). The PCLA substance was adsorbed by both aluminium hydroxide gel and barium sulfate. The level of Km, optimum pH and optimum I.S. in the amido-lytic reaction with synthetic substrate is shown in the table.In the chromatography of Sepharose CL-6B gel, the PCLA substance was eluted in the fraction of higher molecular weight, while protein C was eluted with a lower fraction.This prompts an estimate that the molecular weight of the PCLA substance is approximately 200,000. Through DEAE-Sepharose CL-6B gel ion exchange chromatography, the PCLA substance was eluted by a lower ionic strength than was protein C.The levels of a PCLA substance were low in the patients with a vitamin K deficiency and in newborn infants. It is expected that our findings regarding the PCLA substance will be as clinically significant as that which we know about protein C at present.
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Reports on the topic "Ion-molecular reactions"

1

Midey, Anthony. Ion-Molecular Reactions With Organic and Atmospheric Compounds from 150-1400K. Fort Belvoir, VA: Defense Technical Information Center, June 2000. http://dx.doi.org/10.21236/ada405891.

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