Search results for: GAS PHASE
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Roadmap on dynamics of molecules and clusters in the gas phase
PublicationThis roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty orders of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity...
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Low-energy positron scattering from gas-phase benzene
PublicationIn this paper we are presenting calculations of the elastic cross section of positrons with gas-phase benzene for the energy range from 0.25 eV to 9.0 eV. The calculations are done with the molecular R-matrix method for positron-scattering from poly-atomic molecules using a scaling factor to scale the electron-positron interaction. The scaling factor influences the position of the poles of the R-matrix. We adjust the scaling factor...
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Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Concentration levels of selected analytes in the gas phase of an e-cigarette aerosol
PublicationThe aerosols generated from e-cigarettes are composed of liquid and gas phases resulting from vapourized e-liquid. The apportioning of substances from e-liquid into the liquid and gas phases during e-cigarette use has not been extensively studied. Partitioning of e-liquid components between the gas and the liquid phase of the aerosol influences the substances inhaled and exhaled by the users, leading to second-hand exposure. It...
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Ag/Pt-modified TiO2 nanoparticles for toluene photooxidation in the gas phase
PublicationAg/Pt-modified TiO2nanocomposites were synthesized using the sol–gel method. The effect of metal typeand amount as well as synthesis route on the photocatalytic activity in reaction of toluene removal, usedas a model volatile organic compound, was investigated. Toluene, at the concentration of about 200 ppm,was irradiated over modified TiO2using light-emitting diodes (LEDs, max= 415 nm). The results showedthat toluene could be...
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Dissociative electron attachment to gas phase thiothymine: experimental and theoretical approaches
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Volatile organic compound separation from gas phase using ionic liquids
PublicationZanieczyszczenie powietrza lotnymi związkami organicznymi staje się światowym problemem ochrony środowiska w związku z ich toksycznymi właściwościami. W związku z tym poszukuje się nowych, efektywnych technologii oczyszczania strumieni gazowych. Powszechnie stosowaną metodą jest utlenianie termiczne. Wiąże się ono jednak z Wysokiem zużyciem energii i efektami ubocznymi w postaci emisji dwutlenku węgla i tlenków azotu. Alternatywą...
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The existence and gas phase acidity of the HAlnF3n+1 superacids (n=1–4)
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Separation of toluene from gas phase using supported imidazolium ionic liquid membrane
PublicationInvestigation on utilization of supported ionic liquids membranes for hydrocarbon separation from the gas phase was performed. Properties of membrane phase, wettability of supports, swelling effects and solubility of toluene were taken into account. Toluene permeation rates were significantly higher than those of pure nitrogen, the selectivity in a range of 17–341 was satisfying for separation. Despite the increase of viscosity...
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Evaluation of Linkers’ Influence on Peptide-Based Piezoelectric Biosensors’ Sensitivity to Aldehydes in the Gas Phase
PublicationRecent findings qualified aldehydes as potential biomarkers for disease diagnosis. One of the possibilities is to use electrochemical biosensors in point-of-care (PoC), but these need further development to overcome some limitations. Currently, the primary goal is to enhance their metrological parameters in terms of sensitivity and selectivity. Previous findings indicate that peptide OBPP4 (KLLFDSLTDLKKKMSEC-NH2) is a promising...
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublicationWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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Highly effective asphaltene-derived adsorbents for gas phase removal of volatile organic compounds
PublicationA novel nitrated asphaltene-derived adsorbent (Asf-Nitro) was prepared using facile isolation and modification procedures. The successful modification was confirmed by Fourier-transform infrared spectroscopy (FTIR). The nitrated adsorbent was evaluated in terms of dispersive and specific interactions, Lewis acid-base properties and adsorption isotherms by means of inverse gas chromatography (IGC). Nitration was found to be extremely...
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Application of cyanated asphaltenes in gas-phase adsorption processes for removal of volatile organic compounds
PublicationThe paper presents an innovative, chemically modified (methylcyanated) asphaltene-based adsorbent that can be an inter-esting low-cost alternative for traditional adsorbents. Adsorption properties of adsorbents were examined by inverse gas chromatography technique, adsorption isotherms, and breakthrough curves. A significant increase in retention volume for pyridine, 2-pentanone, nitropropane, toluene, and 1-butanol was observed....
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Application of gamma densitometry and statistical signal analysis to gas phase velocity measurements in pipeline hydrotransport
PublicationThe work presents selected methods of signal analysis used in the processing of data obtained from radiometric probes. The used data came from an exemplary study of a two-phase liquid-gas flow at the laboratory installation. In such rigs many possible transport types may be observed, i.e. slug, plug and bubble flow, and each of them gives different signal-to-noise ratio of recorded data. Therefore, available radiometric methods...
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Application of gamma densitometry and statistical signal analysis to gas phase velocity measurements in pipeline hydrotransport
PublicationThe work presents selected methods of signal analysis used in the processing of data obtained from radiometric probes. The used data came from an exemplary study of a two-phase liquid-gas flow at the laboratory installation. In such rigs many possible transport types may be observed, i.e. slug, plug and bubble flow, and each of them gives different signal-to-noise ratio of recorded data. Therefore, available radiometric methods...
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Effectiveness of toluene separation from gas phase using supported ammonium ionic liquid membrane
PublicationAmmonium ionic liquids (ILs) are relatively cheap in synthesis and environmentally benign and despite that they have been very rarely used in gas separation. In this research we used several ammonium ILs as liquid membranes for removal of residual toluene from gas phase. Ionic liquids used in this study were composed of bis(trifluoromethylsulfonyl)imide anion [Tf2N] and trimethylbutylammonium [N1114], trietylbutylammonium [N2224],...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublicationThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublicationWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
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Effect of irradiation intensity and initial pollutant concentration on gas phase photocatalytic activity of TiO2 nanotube arrays
PublicationWell-organized TiO2 nanotube arrays were fabricated via one-step anodization process. The as-prepared TiO2 nanotubes were characterized by X-ray powder diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM). Photocatalytic activity of obtained photocatalyst was studied in reaction of toluene degradation in the gas phase using low powered and low...