Search results for "Supercritical"
showing 10 items of 236 documents
Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide
2009
A recently introduced coarse-grained pair potential for carbon dioxide molecules is used to compute structural properties in the supercritical region near the critical point, applying Monte Carlo simulations. In this model, molecules are described as point particles, interacting with Lennard-Jones (LJ) forces and a (isotropically averaged) quadrupole–quadrupole potential, the LJ parameters being chosen such that gratifying agreement with the experimental phase diagram near the critical point is obtained. It is shown that the model gives also a reasonable account of the pair correlation function, although in the nearest neighbour shell some systematic discrepancies between the model predicti…
Extraction of wheat germ oil by supercritical CO2 : Oil and defatted cake characterization
2003
In this paper the working conditions for the extraction of wheat germ oil in a supercritical CO2 pilot plant of 1-L extraction capacity were studied. The best conditions were: pressure, 38 MPa; temperature, 55degreesC; wheat germ particle size, about 0.35 mm; CO2 flow rate, 1.5 L min(-1). These conditions gave yields of about 92% of total oil after 3 h of processing. The obtained oils and the partially defatted cake were investigated with regard to their FA, tocol (tocopherol and tocotrienol), carotenoid, and sterol compositions and to their quality characteristics (FFA, PV, para-anisidine value, and color of the by-product). Moreover, the oil quality was evaluated in relation to the progre…
Supercritical CO2 extraction of essential oil from orange peel; effect of the height of the bed
2000
Abstract The influence of the height of the particle bed on the kinetics of supercritical fluid extraction (SFE) of essential oil from orange peel is analyzed in this article. Peel of dehydrated oranges of the satsuma and naveline cultivars was used. A series of experiments were designed wherein, for the same conditions, particle height varied widely. These experiments were also carried out on different scales with extraction volumes of 0.5 and 5 l. The results of the experiments were interpreted using Sovova's extended flow model as has been done in previous studies. The bibliography indicates that a number of phenomena may distort the process. One of these phenomena is the formation of ma…
Effective recovery of perfluoropolyether surfactants from PVDF and PTFE by supercritical carbon dioxide extraction
2007
Abstract The extraction of ammonium carboxylate perfluoropolyether surfactants from poly(vinylidenefluoride) (PVDF) and poly(tetrafluoroethylene) (PTFE) was performed with supercritical carbon dioxide. When proper conditions in terms of temperature, pressure and flow rate were used, extraction recoveries higher than 90% were obtained. For PVDF (with a concentration of surfactant of 5% w/w), at low pressure (12 MPa) and 40 °C, more than 100 min are necessary to have a quantitative extraction. On the other hand, at higher pressure (20 MPa) a quantitative recovery was obtained after few minutes. A strong influence of the temperature on the extraction recovery was also found. In the case of PTF…
Copolymerization of VDF and HFP in Supercritical Carbon Dioxide: A Robust Approach for Modeling Precipitation and Dispersion Kinetics
2011
A kinetic model is developed for the heterogeneous free-radical copolymerization of vinylidene fluoride and hexafluoropropylene in supercritical CO2. The model accounts for polymerization in both the dispersed (polymer-rich) phase and in the continuous (polymer-free) supercritical phase, for radical interphase transport, diffusion limitations, and chain-length-dependent termination in the polymer-rich phase. A parameter evaluation strategy is developed and detailed to estimate most of the kinetic parameters a priori while minimizing their evaluation by direct fitting. The resulting model predictions compare favorably with the experimental results of conversion and MWD at varying monomer fee…
Critical Micelle Density for the Self-Assembly of Block Copolymer Surfactants in Supercritical Carbon Dioxide
1999
The parameters which influence the self-assembly of molecules in solution include the temperature and solvent quality, and this study illustrates the use of these variables to regulate the degree of association of block copolymer amphiphiles in highly compressible supercritical carbon dioxide. Small-angle neutron scattering (SANS) has been used to examine the association behavior of a block copolymer containing a CO2-phobic moiety, poly(vinyl acetate), and a CO2-philic block, poly(1,1-dihydroperfluoro-octylacrylate). By adjustment of the density of the medium through pressure and temperature profiling, the self-assembly can be reversibly controlled from unimers to core−shell spherical micel…
A combined small-angle neutron and X-ray scattering study of block copolymers micellisation in supercritical carbon dioxide
2003
Small angle neutron and X-ray scattering (SANS and SAXS) are used to investigate the monomer–aggregate transition of fluorocarbon–hydrocarbon diblock copolymers in supercritical carbon dioxide. SANS data are analyzed using a polydisperse sphere core–shell model. Synchrotron SAXS data have been collected by profiling the pressure at different temperatures, and critical micellization densities have been obtained for a series of diblock solutions. Finally pressure jump experiments, combined with synchrotron SAXS, have revealed two steps in the dynamics of the formation of the aggregates.
Discovering Copper for Methane C–H Bond Functionalization
2015
The copper complex Tp(CF3)2,BrCu(NCMe) (1, Tp(CF3)2,Br = hydrotris((3,5-bis(trifluoromethyl)-4-bromo)-pyrazol-1-yl)borate) catalyzes the insertion of the CHCO2Et group (from ethyl diazoacetate N2CHCO2Et, EDA) into the C–H bonds of methane, in a homogeneous process that uses supercritical carbon dioxide (scCO2) as the reaction medium. Other light alkanes such as ethane, propane, and butane have been also functionalized with this copper-based catalyst, in the first example of the derivatization of the series of C1–C4 alkanes with this metal and a soluble catalyst.
Recovery of bioactive compounds from walnut (Juglans regiaL.) green husk by supercritical carbon dioxide extraction
2021
In this work, the use of supercritical carbon dioxide, a nontoxic solvent, was proposed to extract bioactive compounds from Juglans regia L. green husk and was compared to other traditional techniques based on solvents such as ethanol, methanol and water. Supercritical CO2 was combined with ethanol as an organic modifier at a rate of 20% of the total flow to achieve greater extraction of polar compounds. The extracts were characterised in terms of extraction yields, antioxidant activity, total polyphenol content, phenolic acids, juglone, volatile organic compounds and antifungal activity. The results showed that the extracts obtained with supercritical CO2 were rich in polyphenols (10750 mg…
Catalytic and anticancer activities of sawhorse-type diruthenium tetracarbonyl complexes derived from fluorinated fatty acids
2013
The reaction of fluorinated fatty acids, perfluorobutyric acid (C3F7CO2H), and perfluorododecanoic acid (C11F23CO2H), with dodecacarbonyltriruthenium (Ru3(CO)12) under reflux in tetrahydrofuran, followed by addition of two-electron donors (L) such as pyridine, 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane, or triphenylphosphine, gives stable diruthenium complexes Ru2(CO)4(μ2-η2-O2CC3F7)2(L)2 (1a, L = C5H5N; 1b, L = PTA; 1c, L = PPh3) and Ru2(CO)4(μ2-η2-O2CC11F23)2(L)2 (2a, L = C5H5N; 2b, L = PTA; 2c, L = PPh3). The catalytic activity of the complexes for hydrogenation of styrene under supercritical carbon dioxide has been assessed and compared to the analogous triphenylphosphine complexes w…