Search results for "surface area"
showing 10 items of 203 documents
Novel metal–organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities
2012
Two new metal–organic frameworks based on 5-bromonicotinic acid complexes [Cd(5-BrNic)2]n (1) and [Co(5-BrNic)2(H2O)]n (2) have been synthesized by hydrothermal reactions of this ligand with cadmium and cobalt metallic(II) salts in the presence of water. Compound 1 displays intense photoluminescence properties in the solid state at room temperature, while 2 exhibits an antiferromagnetic interaction between Co(II) ions with a J value of −4.1 cm−1. Experimental studies, backed up by Monte Carlo simulations about adsorption, pore size distribution and accessible surface area reveal the capability of 2 for H2 purification applications.
X-ray CT analyses, models and numerical simulations: a comparison with petrophysical analyses in an experimental CO<sub>2</sub&a…
2016
Abstract. An essential part of the collaborative research project H2STORE (hydrogen to store), which is funded by the German government, was a comparison of various analytical methods for characterizing reservoir sandstones from different stratigraphic units. In this context Permian, Triassic and Tertiary reservoir sandstones were analysed. Rock core materials, provided by RWE Gasspeicher GmbH (Dortmund, Germany), GDF Suez E&P Deutschland GmbH (Lingen, Germany), E.ON Gas Storage GmbH (Essen, Germany) and RAG Rohöl-Aufsuchungs Aktiengesellschaft (Vienna, Austria), were processed by different laboratory techniques; thin sections were prepared, rock fragments were crushed and cubes of …
Polymeric nanoparticles of different sizes overcome the cell membrane barrier.
2012
Abstract Polymeric nanoparticles have tremendous potential either as carriers or markers in treatment for diseases or as diagnostics in biomedical applications. Finding the optimal conditions for effective intracellular delivery of the payload to the location of interest is still a big challenge. The particles have to overcome the barrier of the cell membrane. Here, we investigated the uptake in HeLa cells of fluorescent polystyrene particles with different size and surface charge. Particles stabilized with the nonionic surfactant Lutensol AT50® (132 nm, 180 nm, 242 nm, 816 nm, 846 nm diameter) were synthesized via dispersion polymerization. Cationic particles (120 nm, 208 nm, 267 nm, 603 n…
Agglomerated non-porous silica nanoparticles as model carriers in polyethylene synthesis
2004
Abstract Non-porous submicron silica particles (250 and 500 nm) with high monodispersity were agglomerated to form spherical agglomerates via spray drying. As a binder, 25 nm sized monodisperse silica spheres were selected from a variety of colloidal systems including Levasil-type and Aerosil-type silica nanoparticles. The use of such binders led to an increase of the specific surface area of the agglomerated carriers. All materials were characterised by nitrogen sorption, mercury intrusion and scanning electron microscopy. The silica agglomerates, with highly defined geometrical and pore structural parameters, were employed as model carriers in the heterogeneous polymerization of ethylene …
Preparation, Characterization and Photocatalytic Activity of TiO2 Impregnated with the Heteropolyacid H3PW12O40: Photo-assisted Degradation of 2-prop…
2009
Abstract Both commercial and home prepared TiO2 samples impregnated with tungstophosphoric acid (H3PW12O40) were prepared and used for the photo-assisted degradation of 2-propanol in gas–solid regime. The characterization results evidenced a good coverage of the polyoxometalate (POM) onto the surface of both types of TiO2 samples along with a marginal effect of the presence of ethanol or HCl during the POM impregnation step on the specific surface area, porosity, morphology, crystallinity and acidity of the samples. Propene was the main intermediate product found in 2-propanol photocatalytic degradation by using the samples containing POM as the photocatalyst, whereas propanone was mainly o…
The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability.
2013
During the early ADME profiling the development of simple, interpretable and reliable in silico tools is very important. In this study, rule-based and QSPR approaches were investigated using a large Caco-2 permeability database. Three permeability classes were determined: high (H), moderate (M) and low (L). The main physicochemical properties related with permeability were ranked as follows: Polar Surface Area (PSA)>Lipophilicity (logP/logD)>Molecular Weight (MW)>number of Hydrogen Bond donors and acceptors>Ionization State>number of Rotatable Bonds>number of Rings. The best rule, based on the combination of PSA-MW-logD (3PRule), was able to identify the H, M and L classes with accuracy of …
Interacting induced dipoles polarization model for molecular polarizabilities: application to benzothiazole (A)-benzobisthiazole (B) oligomers AB13A
1998
Abstract We have outlined a method for the calculation of atomic net charges and molecular dipole-dipole, α , dipole-quadrupole, A , and quadrupole-quadrupole, C , polarizabilities which we have successfully applied to benzothiazole (A)-benzobisthiazole (B) oligomers in the series AB1A to AB13A, and the results have been extrapolated to give predictions for polybenzobisthiazole. The calculation of α , A and C has been carried out by the interacting induced dipoles polarization model that calculates tensor effective anisotropic point polarizabilities (method of Applequist). The mean effective atomic αeffpolarizabilities for the monomeric unit are of the same order of magnitud…
Modeling the chiral resolution ability of highly sulfated β-cyclodextrin for basic compounds in electrokinetic chromatography
2013
Abstract Despite the fact that extensive research in the field of enantioseparations by capillary electrophoresis has been carried out, it is difficult to predict whether a concrete chiral selector would be useful for the separation of a racemic compound. Hence, several experimental effort is necessary to test the abilities of individual chiral selectors, usually by trial and error procedures. Thus, the enantioseparation of a new racemate becomes a time- and money-consuming task. In this work, the ability of highly sulfated β-cyclodextrin (HS-β-CD) as chiral selector in electrokinetic chromatography (EKC) is modeled for the first time, using exclusively directly-available structural data of…
Enhanced photocatalytic performance of novel electrospun BN/TiO 2 composite nanofibers
2017
International audience; High activity boron nitride/titanium dioxide (BN/TiO2) composite nanofiber photocatalysts were synthesized for the first time via the electrospinning technique. The as-spun nanofibers with a controlled ratio of boron nitride nanosheets (BN) were calcined under air at 500 °C for 4 hours. Their morphological, structural and optical properties were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), BET surface area, Fourier-transform infrared (FTIR), Raman spectroscopy, UV-Visible spectrophotometry and room temperature photoluminescence (PL). The effect of loading different BN sheet amounts on the photocat…
Hydraulic kinetics of the graft union in different Olea europaea L. scion/rootstock combinations
2007
The hydraulic resistance of young olive trees grafted on rootstocks with contrasting size-controlling potential was measured 30, 90, 360 and 480 days after grafting. Olive (Olea europaea L.) clones inducing plant vigorous growth (Leccino ‘Minerva’, LM) or dwarfing (Leccino ‘Dwarf’, LD) were studied in different scion/rootstock combinations (LD/LD, LD/LM, LM/LD, LM/LM). Plants growing on LD root systems developed lower leaf surface areas (about 50% less) than plants grafted on LM rootstocks. Graft union represented the largest fraction (up to 85%) of whole-plant hydraulic resistance 30 days after grafting, and still represented an important fraction of it 2 months later (40–55%). Four-hundre…