Search results for "RPT"
showing 10 items of 5119 documents
Sorption capacities of the natural and synthetic zeolites for the Cu(II) ions
2015
The sorption of Cu(II) ions onto natural (clinoptilolite) and synthetic (Na-X and Na-P1) zeolites was investigated. The synthetic zeolite samples were obtained from coal fly ash under hydrothermal crystallization conditions. The following issues were studied under batch conditions: the influence of the initial concentration of the Cu(II) ions, dose of zeolites, anion kind, and pH of solution. The experimental data were modelled with the Freundlich, Langmuir, and Dubinin-Radushkevich adsorption isotherms and their goodness-of-fit levels were compared. The affinity of the Cu(II) ions for synthetic zeolites was much higher than for the natural ones. The maximum sorption capacity of the synthet…
Use of Fe and Al containing electrocoagulation sludge as an adsorbent and a catalyst in water treatment
2023
In this study, three different electrocoagulation (EC) sludges were studied as an adsorbent (removal of humic acids) and as a catalyst [catalytic wet peroxide oxidation (CWPO) of bisphenol A (BPA)]. The sludges originated from electrocoagulation process in which aluminum (Al) and iron (Fe) electrodes were used for the treatment of mining industry wastewater. All the materials were used as dried sludge and calcined material. The stability of these materials was studied in neutral and alkaline conditions with analysis of the leached iron content in solution. Based on the EC sludge characterization with X-ray fluorescence (XRF), X-ray diffractometer (XRD), and diffuse-reflectance infrared Four…
Tube transport of water vapor with condensation and desorption
2013
Attenuation and delay of active tracers in tube transport is an important current problem, but its full explanation is still lacking. To this end a model is introduced, where part of a tracer undergoes condensation and evaporation, treated as a diffusion-type process, in addition to Taylor dispersion. Condensation of water was verified by high-speed imaging, and the model solution fitted the breakthrough curves of laboratory measurements with pulses of water vapor of varying relative humidity. The model provides a transfer function whose performance was verified against field measurements. peerReviewed
Isophorone on Au/MgO/Ag(001) : Physisorption with Electrostatic Site Selection
2017
We report a computational study of isophorone C9H14O adsorption on a Ag(001)-supported ultrathin MgO film with Au adatoms and clusters employing density functional theory calculations. The calculations show that the keto form of isophorone is more stable than the enol tautomers both in gas phase and on the MgO/Ag(001) surface. The interaction between the keto isophorone and step and terrace sites of MgO/Ag(001) displays long interaction distances, relatively weakly exothermic adsorption energies, lack of charge transfer, and minor changes in the density of states, all of which indicate that the molecule merely physisorbs on the surface. The step sites are energetically preferred adsorption …
Molecule-like photodynamics of Au102(pMBA)44 nanocluster.
2015
Photophysical properties of a water-soluble cluster Au102(pMBA)44 (pMBA = para-mercaptobenzoic acid) are studied by ultrafast time-resolved mid-IR spectroscopy and density functional theory calculations in order to distinguish between molecular and metallic behavior. In the mid-IR transient absorption studies, visible or near-infrared light is used to electronically excite the sample, and the subsequent relaxation is monitored by studying the transient absorption of a vibrational mode in the ligands. Based on these studies, a complete picture of energy relaxation dynamics is obtained: (1) 0.5-1.5 ps electronic relaxation, (2) 6.8 ps vibrational cooling, (3) intersystem crossing from the low…
Electronic Structure and Optical Properties of the Intrinsically Chiral 16-Electron Superatom Complex [Au20(PP3)4]4+
2014
The recently solved crystal structure of the [Au20(PP3)4]Cl4 cluster (PP3: tris(2-(diphenylphophino)ethyl)phosphine) is examined using density functional theory (DFT). The Au20 core of the cluster is intrinsically chiral by the arrangement of the Au atoms. This is in contrast to the chirality of thiolate-protected gold clusters, in which the protecting Au-thiolate units are arranged in chiral patterns on achiral cores. We interpret the electronic structure of the [Au20(PP3)4]Cl4 cluster in terms of the superatom complex model. The 16-electron cluster cannot be interpreted as a dimer of 8-electron clusters (which are magic). Instead, a superatomic electron configuration of 1S(2) 1P(6) 1D(6) …
A DFT Study of Linear Gold–Thiolate Superclusters Absorbing in the Therapeutic NIR Window
2015
A series of linear clusters up to an aspect ratio of 1:6, formed as multimers of smaller clusters with an icosahedral Au13(5+) core having an eight-electron superatom configuration, are computationally predicted to have a greatly enhanced size-dependent absorption in the near-infrared (NIR) region extending to the biologically important NIR window. A novel structural model is presented for the previously isolated thiol-stabilized Au54(SR)30 cluster, where the metal core is formed as a heterodimer of the cores of the known Au25(SR)18(-/0) and Au38(SR)24 clusters.
Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles
2017
Rh and Pt are widely used as the components in heterogeneous catalysts for multiple industrial applications. Because the metals are typically in the form of nanoparticles in real catalysts, it is important to carefully select models for the computational prediction of the catalytic properties. Here we report a first-principles study on the water activation, an important step in numerous catalytic reactions, using the finite-size Rh and Pt nanoparticle models and compare them to the extended surface models. We show that regardless of the model, adsorption and activation of water is practically identical for both metals, whereas the dissociation is energetically more favorable on Rh. The expe…
Does innovativeness reduce startup survival rates?
2015
There are two competing hypotheses explaining how innovativeness influences the survival of startups: On the one hand, innovativeness is argued to foster survival-enhancing attributes (e.g., market power and cost efficiency) and capabilities (e.g., absorptive capacity). On the other hand, an innovative startup faces (and bears the associated risks of) liabilities of newness and smallness that exceed those of its non-innovative counterparts. The available empirical literature addressing this theoretical tension mostly supports the former hypothesis; we suggest that this finding is, in part, driven by the common practice of employing an ex post measure that already embodies a degree of succes…