pyIAST: Ideal adsorbed solution theory (IAST) Python package
NASA Astrophysics Data System (ADS)
Simon, Cory M.; Smit, Berend; Haranczyk, Maciej
2016-03-01
Ideal adsorbed solution theory (IAST) is a widely-used thermodynamic framework to readily predict mixed-gas adsorption isotherms from a set of pure-component adsorption isotherms. We present an open-source, user-friendly Python package, pyIAST, to perform IAST calculations for an arbitrary number of components. pyIAST supports several common analytical models to characterize the pure-component isotherms from experimental or simulated data. Alternatively, pyIAST can use numerical quadrature to compute the spreading pressure for IAST calculations by interpolating the pure-component isotherm data. pyIAST can also perform reverse IAST calculations, where one seeks the required gas phase composition to yield a desired adsorbed phase composition.
Baciocchi, Renato; Boni, Maria Rosaria; Lavecchia, Roberto
2005-02-14
The adsorption of 3-chlorophenol (3-CP) and 3,5-dichlorophenol (3,5-CP) on two Italian soils was studied at 20 degrees C. Experiments on the pure components showed that 3,5-CP was more strongly adsorbed than 3-CP, and that the adsorption capacity could be related to the organic carbon fraction of the soil. Competitive adsorption data were described by the fully predictive ideal adsorbed solution (IAS) theory. To this end, the Langmuir parameters determined from pure component adsorption data were used. Results showed that at low 3,5-CP concentration (up to 5-10 mM) the model describes satisfactorily the binary system behavior, whereas at higher concentrations predictions fail, suggesting that non ideality effects in the adsorbed phase should be accounted for. PMID:15721549
Munakata, K.; Nakamura, A.; Kawamura, Y.
2015-03-15
The authors have applied the isotherm equations derived from the reactive vacancy solution theory (RVST) to correlation of experimental and highly non-ideal adsorption isotherms of hydrogen and deuterium on a mordenite adsorbent, and have examined the ability of the isotherm equations to match this correlation. Several isotherm equations such as Langmuir, Freundlich, Toth, Vacancy Solution Theory and so forth were also tested, but they did not work. For the Langmuir-Freundlich equation tests have indicated that its 'ability to correlate' of the adsorption isotherms is not satisfactory. For the multi-site Langmuir-Freundlich (MSLF) equation the correlation of the isotherms appears to be somewhat improved but remains unsatisfactory. The results show that the isotherm equations derived from RVST can better correlate the experimental isotherms.
Linear transport models for adsorbing solutes
NASA Astrophysics Data System (ADS)
Roth, K.; Jury, W. A.
1993-04-01
A unified linear theory for the transport of adsorbing solutes through soils is presented and applied to analyze movement of napropamide through undisturbed soil columns. The transport characteristics of the soil are expressed in terms of the travel time distribution of the mobile phase which is then used to incorporate local interaction processes. This approach permits the analysis of all linear transport processes, not only the small subset for which a differential description is known. From a practical point of view, it allows the direct use of measured concentrations or fluxes of conservative solutes to characterize the mobile phase without first subjecting them to any model. For complicated flow regimes, this may vastly improve the identification of models and estimation of their parameters for the local adsorption processes.
NASA Astrophysics Data System (ADS)
Tovbin, Yu. K.
2016-08-01
A molecular statistical theory for calculating the linear tension of small multicomponent droplets in two-dimensional adsorption systems is developed. The theory describes discrete distributions of molecules in space (on a scale comparable to molecular size) and continuous distributions of molecules (at short distances inside cells) in their translational and vibrational motions. Pair intermolecular interaction potentials (the Mie type potential) in several coordination spheres are considered. For simplicity, it is assumed that distinctions in the sizes of mixture components are slight and comparable to the sizes of adsorbent adsorption centers. Expressions for the pressure tensor components inside small droplets on the heterogeneous surface of an adsorbent are obtained, allowing calculations of the thermodynamic characteristics of a vapor-fluid interface, including linear tension. Problems in refining the molecular theory are discussed: describing the properties of small droplets using a coordination model of their structure, considering the effect an adsorbate has on the state of a near-surface adsorbent region, and the surface heterogeneity factor in the conditions for the formation of droplets.
Adsorption isotherm of non-azeotropic solution onto porous adsorbents
NASA Astrophysics Data System (ADS)
Bono, A.; Ramlan, N. A.; Anisuzzaman, S. M.; Chu, C. M.; Farm, Y. Y.
2016-06-01
Adsorption isotherm is essential component in the understanding of the adsorption process. Several methods of the measurements, analysis and interpretation of adsorption from solution have been reported in the literature. Most of the measurements of adsorption isotherm from solution were involved the measurement of excess isotherm conducted at low region of sorbates concentration. Direct interpretation of excess adsorption isotherm as adsorption isotherm is always been practice. Therefore, in this work a study on the measurement of the adsorption isotherm from solution of non-azeotropic organic solvent mixture onto porous adsorbents for whole range of liquid concentration was conducted. The study included the measurement of excess adsorption isotherm using conventional technique. Theoretical analysis and interpretation of adsorption isotherm from the excess isotherm were conducted using Pseudo Ideal Adsorption, Gibbs Dividing Plane Model and Langmuir-Fruendlich binary isotherm model. For organic solvents, acetone and propanol were chosen as the adsorbates due to the non-azeotropic properties in the mixture. Activated carbon and silicalite were chosen as adsorbents due to the different in their porosity such as macro porous and micro porous structure. The result of the study has revealed that the adsorption isotherm of non-azeotropic mixture onto activated carbon and silicalite can be interpreted as monolayer type of adsorption.
Theory of colloid depletion stabilization by unattached and adsorbed polymers.
Semenov, A N; Shvets, A A
2015-12-01
The polymer-induced forces between colloidal particles in a semidilute or concentrated polymer solution are considered theoretically. This study is focussed on the case of partially adsorbing colloidal surfaces involving some attractive centers able to trap polymer segments. In the presence of free polymers the particles are covered by self-assembled fluffy layers whose structure is elucidated. It is shown that the free-polymer-induced interaction between the particles is repulsive at distances exceeding the polymer correlation length, and that this depletion repulsion can be strongly enhanced due to the presence of fluffy layers. This enhanced depletion stabilization mechanism (which works in tandem with a more short-range steric repulsion of fluffy layers) can serve on its own to stabilize colloidal dispersions. More generally, we identify three main polymer-induced interaction mechanisms: depletion repulsion, depletion attraction, and steric repulsion. Their competition is analyzed both numerically and analytically based on an asymptotically rigorous mean-field theory. It is shown that colloid stabilization can be achieved by simply increasing the molecular weight of polymer additives, or by changing their concentration. PMID:26400677
Theory of raman scattering from molecules adsorbed at semiconductor surfaces
NASA Astrophysics Data System (ADS)
Ueba, H.
1983-09-01
A theory is presented to calculate the Raman polarizability of an adsorbed molecule at a semiconductor surface, where the electronic excitation in the molecular site interacts with excitons (elementary excitations in the semiconductor) through non-radiative energy transfer between them, in an intermediate state in the Raman scattering process. The Raman polarizability thus calculated is found to exhibit a peak at the energy corresponding to a resonant excitation of excitons, thereby suggesting the possibility of surface enhanced Raman scattering on semiconductor surfaces. The mechanism studied here can also give an explanation of a recent observation of the Raman excitation profiles of p-NDMA and p-DMAAB adsorbed on ZnO or TiO 2, where those profiles were best described by assuming a resonant intermediate state of the exciton transition in the semiconductors. It is also demonstrated that in addition to vibrational Raman scattering, excitonic Raman scattering of adsorbed molecules will occur in the coupled molecule-semiconductor system, where the molecular returns to its ground electronic state by leaving an exciton in the semiconductor. A spectrum of the excitonic Raman scattering is expected to appear in the background of the vibrational Raman band and to be characterized by the electronic structure of excitons. A desirable experiment is suggested for an examination of the theory.
Extraction of palladium from acidic solutions with the use of carbon adsorbents
O.N. Kononova; N.G. Goryaeva; N.B. Dostovalova; S.V. Kachin; A.G. Kholmogorov
2007-08-15
We studied the sorption of palladium(II) on LKAU-4, LKAU-7, and BAU carbon adsorbents from model hydrochloric acid solutions and the solutions of spent palladium-containing catalysts. It was found that sorbents based on charcoal (BAU) and anthracite (LKAU-4) were characterized by high sorption capacities for palladium. The kinetics of the saturation of carbon adsorbents with palladium(II) ions was studied, and it was found that more than 60% of the initial amount of Pd(II) was recovered in a 1-h contact of an adsorbent with a model solution. This value for the solutions of spent catalysts was higher than 35%.
Theory of polyampholyte solutions
NASA Astrophysics Data System (ADS)
Higgs, Paul G.; Joanny, Jean-François
1991-01-01
We consider polyampholyte polymers containing both positive and negative monomers randomly dispersed along the chain. Neutral chains collapse into a globule due to attractive electrostatic interactions. The behavior of the charges inside the globule is similar to that of charges in a small volume of simple electrolyte. A screening length κ-1p coming from the polymeric charge may be defined as in Debye-Hückel theory. The internal structure of the globule is that of close packed blobs of radius equal to the screening length. When salt is added this further screens the interactions and reduces the attractions. The globule begins to increase in size when the concentration of salt becomes larger than the concentration of charge on the polymer itself. Screened Coulomb interactions in a neutral chain behave like a negative contribution to excluded volume. For a chain in a good solvent there is a θ salt concentration at which the net excluded volume becomes zero. Chains are swollen above this concentration of salt, and collapsed below this concentration. For small sections of chain the Coulomb interactions are unscreened and cannot be treated as a modification to excluded volume. Chains with a strong net charge of one sign tend to behave as conventional polyelectrolyte with charges of only one sign. We determine the criterion for the value of the net charge at which the repulsions (polyelectrolyte effect) begin to dominate the attractions (polyampholyte effect). The predictions are found to be in good qualitative agreement with experiments.
Theory of optical excitation of adsorbed rare gas atoms
NASA Astrophysics Data System (ADS)
Tsukada, Masaru; Brenig, Wilhelm
1985-03-01
Optical absorption spectra of rare-gas atoms adsorbed on metal surfaces exhibit a bimodal behavior, which, according to Cunningham, Greenlaw and Flynn, can be correlated with the difference I' - φ (where I' is the ionization energy of the excited (gas phase) state of the rare gas atom and φ the work function of the metal) controlling the energetics of charge transfer from the excited atom to the metal. In this paper we propose a model which allows to treat this charge transfer and some accompanying many-body effects in detail. Strong Coulomb attraction between the core hole and the excited electron on the adatom is taken into account as well as the interaction with surface plasmons. An improved charge transfer criterion is obtained which, besides the important parameter I∗ - φ, involves additional parameters such as the adsorbate-metal coupling strength and the plasmon frequency.
NASA Astrophysics Data System (ADS)
Wei, Wei; Yang, Lei; Zhong, Wenhui; Cui, Jing; Wei, Zhenggui
2015-03-01
In this study, poorly crystalline hydroxyapatite (HAP) was developed as an efficient adsorbent for the removal of fulvic acid (FA) from aqueous solution. Surface functionality, crystallinity, and morphology of the synthetic adsorbent were studied by Fourier-transformation infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). The effects of various parameters such as crystallinity of adsorbent, contact time, adsorbent dosage, pH, initial adsorbate concentration, temperature, ionic strength and the presence of alkaline earth metal ions on FA adsorption were investigated. Results indicated that the nanosized HAP calcined at lower temperature was poorly crystalline (Xc = 0.23) and had better adsorption capacity for FA than those (Xc = 0.52, 0.86) calcined at higher temperature. FA removal was increased with increases of adsorbent dosage, temperature, ionic strength and the presence of alkali earth metal ions, but decreased as the pH increased. Kinetic studies showed that pseudo-second-order kinetic model better described the adsorption process. Equilibrium data were best described by Sips models, and the estimated maximum adsorption capacity of poorly crystalline HAP was 90.20 mg/g at 318 K, displaying higher efficiency for FA removal than previously reported adsorbents. FT-IR results revealed that FA adsorption over the adsorbent could be attributed to the surface complexation between the oxygen atom of functional groups of FA and calcium ions of HAP. Regeneration studies indicated that HAP could be recyclable for a long term. Findings of the present work highlight the potential for using poorly crystalline HAP nanoparticles as an effective and recyclable adsorbent for FA removal from aqueous solution.
Adsorption of bisphenol-A from aqueous solution onto minerals and carbon adsorbents.
Tsai, Wen-Tien; Lai, Chi-Wei; Su, Ting-Yi
2006-06-30
The adsorption behaviors of bisphenol-A, which has been listed as one of endocrine disrupting chemicals, from aqueous solution onto four minerals including andesite, diatomaceous earth, titanium dioxide, and activated bleaching earth, and two activated carbons with coconut-based and coal-based virgins were examined in this work. Based on the adsorption results at the specified conditions, the adsorption capacities of activated carbons are significantly larger than those of mineral adsorbents, implying that the former is effective for removal of the highly hydrophobic adsorbate from the aqueous solution because of its high surface area and low surface polarity. The adsorption capacities of bisphenol-A onto these mineral adsorbents with different pore properties are almost similar in magnitude mainly due to the weakly electrostatic interaction between the mineral surface with negative charge and the target adsorbate with hydrophobic nature. Further, a simplified kinetic model, pseudo-second-order, was tested to investigate the adsorption behaviors of bisphenol-A onto the two common activated carbons at different solution conditions. It was found that the adsorption process could be well described with the pseudo-second-order model. The kinetic parameters of the model obtained in the present work are in line with the pore properties of the two adsorbents. PMID:16343748
Sakata, Masayo; Uezono, Koji; Kimura, Kasane; Todokoro, Masami
2013-12-01
Copolymer particles for removal of endotoxins (lipopolysaccharides, LPSs) were prepared by suspension copolymerization of γ-cyclodextrin (CyD) and 1,6-hexamethylenediisocyanate. The LPS-removing activity of the copolymer particles was compared with that of poly(ε-lysine)-immobilized Cellufine (cationic adsorbent) or polystyrene particles (hydrophobic adsorbent) by a batch method. When DNA was present in solution with LPSs under physiological conditions (pH 6.0, ionic strength of μ = 0.05-0.8), LPS-removing activity of the cationic or hydrophobic adsorbent was unsatisfactory because both the DNA and the LPSs were adsorbed onto each adsorbent. By contrast, the copolymer particles with γ-CyD cavity (CyD content: 14-20 mol%) could selectively remove LPSs from a DNA solution (50 μg ml(-1), pH 6.0, and μ = 0.05-0.2) containing LPSs (15 EU ml(-1)) without the adsorption of DNA. The residual concentration of LPSs in the treated DNA solution was below 0.1 EU ml(-1), and the recovery of DNA was 99%. PMID:23969015
NASA Astrophysics Data System (ADS)
Ghatbandhe, A. S.; Jahagirdar, H. G.; Yenkie, M. K. N.; Deosarkar, S. D.
2013-08-01
Adsorption equilibrium and kinetics of 2-chlorophenol (2-CP) one of the chlorophenols (CPs) onto bituminous coal based Filtrasorb-400 grade granular activated carbon and three different types of polymeric adsorbents were studied in aqueous solution in a batch system. Langmuir isotherm models were applied to experimental equilibrium data of 2-CP adsorption. Equilibrium data fitted very well to the Langmuir equilibrium models of 2-CP. Adsorbent monolayer capacity Q Langmuir constant b and adsorption rate constants k a were evaluated. 2-CP adsorption using GAC is very rapid in the first hour of contact where 70-80% of the adsorbate is removed by GAC followed by a slow approach to equilibrium. Whereas in case of polymeric adsorbents 60-65% of the adsorbate is removed in the first 30 min which is then followed by a slow approach to equilibrium. The order of adsorption of 2-CP on different adsorbents used in the study is found to be in following order: F-400 > XAD-1180 > XAD-4 > XAD-7HP.
Esterified coir pith as an adsorbent for the removal of Co(II) from aqueous solution.
Parab, Harshala; Joshi, Shreeram; Shenoy, Niyoti; Lali, Arvind; Sarma, U S; Sudersanan, M
2008-04-01
Coir pith was chemically modified for the adsorption of cobalt(II) ions from aqueous solution. Chemical modification was done by esterification using succinic anhydride followed by activation with NaHCO(3) in order to improve the adsorption of Co(II). Adsorptive removal of Co(II) from aqueous solution onto modified coir pith was evaluated in batch studies under varying conditions of agitation time and metal ion concentration to assess the kinetic and equilibrium parameters. A pseudo-second-order kinetic model fitted well for the sorption of Co(II) onto modified coir pith. Sorption kinetics showed that the loading of Co(II) by this material was quite fast under ambient conditions. The Langmuir and Freundlich equilibrium isotherm models provided excellent fits for the adsorption data, with R(2) of 0.99 and 0.98, respectively. After esterification, the maximum Co(II) sorption loading Q(0); was greatly improved. It is evident that chemically modified adsorbent exhibits better Co(II) removal capability than raw adsorbent suggesting that surface modification of the adsorbent generates more adsorption sites on its solid surface for metal adsorption. A complete recovery of the adsorbed metal ions from the spent adsorbent was achieved by using 1.0N HCl. PMID:17611104
NASA Astrophysics Data System (ADS)
Okamoto, T.; Tachibana, S.; Miura, O.; Takeuchi, M.
2011-11-01
Recently, mercury Hg concentration in human blood increases due to expanding the global mercury contamination. Excess mercury bioaccumulation poses a significant health risk. In order to decrease mercury concentration in the environment and human blood, we have developed two different kinds of nanostructured magnetic adsorbents for mercury to apply them to superconducting magnetic separation instead of conventional filtration. One is magnetic beads (MBs) which have nanosize magnetite particles in the core and a lot of SH radicals on the surface to adsorb Hg ions effectively. MBs were developed mainly to remove mercury from human blood. The maximum amount of the adsorption for MBs is 6.3 mg/g in the solution in less than a minute. Dithiothreitol can easily remove mercury adsorbed to MBs, hence MBs can be reusable. The other is nanostructured magnetic activated carbon (MAC) which is activated carbon with mesopores and nanosize magnetite. The maximum amount of the adsorption for MAC is 38.3 mg/g in the solution. By heat-treatment mercury can be easily removed from MAC. We have studied superconducting magnetic separation using each adsorbent for mercury removal from solution.
Osovsky, Ruth; Kaplan, Doron; Nir, Ido; Rotter, Hadar; Elisha, Shmuel; Columbus, Ishay
2014-09-16
Mild treatment with hydrogen peroxide solutions (3-30%) efficiently decomposes adsorbed chemical warfare agents (CWAs) on microporous activated carbons used in protective garments and air filters. Better than 95% decomposition of adsorbed sulfur mustard (HD), sarin, and VX was achieved at ambient temperatures within 1-24 h, depending on the H2O2 concentration. HD was oxidized to the nontoxic HD-sulfoxide. The nerve agents were perhydrolyzed to the respective nontoxic methylphosphonic acids. The relative rapidity of the oxidation and perhydrolysis under these conditions is attributed to the microenvironment of the micropores. Apparently, the reactions are favored due to basic sites on the carbon surface. Our findings suggest a potential environmentally friendly route for decontamination of adsorbed CWAs, using H2O2 without the need of cosolvents or activators. PMID:25133545
Wunder, D; Bowen, W H
1999-03-01
Glucosyltransferase (Gtf) activity mediates sucrose-dependent adherence of mutans streptococci to the tooth surface, is essential for the cariogenicity of these micro-organisms, and contributes significantly to the exopolysaccharide component of the dental-plaque matrix. Clearly, agents that inhibit Gtfs could have therapeutic benefit. Here the effects of agents that inhibit Gtfs in solution and adsorbed to a surface were explored. Various classes of chemical reagents were tested for their ability to inhibit the enzymes responsible for insoluble-glucan synthesis (GtfB), insoluble/soluble glucan synthesis (GtfC), and soluble-glucan (GtfD) from Streptococcus mutans. Standard inhibition assays were done with Gtf enzyme in solution or with Gtf adsorbed to parotid saliva-coated hydroxylapatite (surface phase). Reagents tested included the metallic cations Li+, Zn2+, Cu2+, Fe2+ and Fe3+; the oxidizing compounds hypochlorite, Rose Bengal, perborate, and sodium-meta-periodate; and a panel of sugars and sugar analogues including sorbitol, xylitol, 1',4',6' trideoxy-trichloro-galactosucrose (TGS), and 1-deoxynojirimycin (dNJ). In solution, Gtf activity was inhibited significantly, at the highest concentrations tested: by the metal ions Zn2+, Cu2+, Fe2+ and Fe3+ (approx. 40-80% inhibition); by Rose Bengal and hypochlorite (approx. 80-90% inhibition); and by TGS and dNJ (approx. 50-80%). However, surface-adsorbed Gtfs displayed increased resistance to inhibition by the same metal cations and oxidizing compounds that inhibited them in solution. In contrast, both TGS and dNJ possessed similar inhibition profiles for both surface-bound Gtf and enzyme in solution. These data indicate that the nature of the inhibitor is important, and also whether the Gtf enzyme is in solution or adsorbed to saliva-coated hydroxylapatite. PMID:10217511
Fruit waste adsorbent for ammonia nitrogen removal from synthetic solution: Isotherms and kinetics
NASA Astrophysics Data System (ADS)
Zahrim, AY; Lija, Y.; Ricky, L. N. S.; Azreen, I.
2016-06-01
In this study, four types of watermelon rind (WR) adsorbents; fresh WR, modified WR with sodium hydroxide (NaOH), potassium hydroxide (KOH) and sulphuric acid (H2SO4) were used as a potential low-cost adsorbent to remove NH3-N from solution. The adsorption data were fitted with the adsorption isotherm and kinetic models to predict the mechanisms and kinetic characteristics of the adsorption process. The equilibrium data agreed well with Langmuir isotherm model with highest correlation (R2=1.00). As for kinetic modelling, the adsorption process follows pseudo-second order for all four types of adsorbents which has R2 value of 1.0 and calculated adsorption capacity, Qe of 1.2148mg/g. The calculated Qe for pseudo-second order has the smallest difference with the experimental Qe and thus suggest that this adsorption process is mainly governed by chemical process involving cations sharing or exchange between WR adsorbent and NH3-N in the solution.
Removal of uranium from aqueous solution by a low cost and high-efficient adsorbent
NASA Astrophysics Data System (ADS)
Liu, Yun-Hai; Wang, You-Qun; Zhang, Zhi-Bin; Cao, Xiao-Hong; Nie, Wen-Bin; Li, Qin; Hua, Rong
2013-05-01
In this study, a low-cost and high-efficient carbonaceous adsorbent (HTC-COOH) with carboxylic groups was developed for U(VI) removal from aqueous solution compared with the pristine hydrothermal carbon (HTC). The structure and chemical properties of resultant adsorbents were characterized by Scanning electron microscope (SEM), N2 adsorption-desorption, Fourier transform-infrared spectra (FT-IR) and acid-base titration. The key factors (solution pH, contact time, initial U(VI) concentrations and temperature) affected the adsorption of U(VI) on adsorbents were investigated using batch experiments. The adsorption of U(VI) on HTC and HTC-COOH was pH-dependent, and increased with temperature and initial ion concentration. The adsorption equilibrium of U(VI) on adsorbents was well defined by the Langmuir isothermal equation, and the monolayer adsorption capacity of HTC-COOH was found to be 205.8 mg/g. The kinetics of adsorption was very in accordance with the pseudo-second-order rate model. The adsorption processes of U(VI) on HTC and HTC-COOH were endothermic and spontaneous in nature according to the thermodynamics of adsorption. Furthermore, HTC-COOH could selectively adsorption of U(VI) in aqueous solution containing co-existing ions (Mg2+, Co2+, Ni2+, Zn2+ and Mn2+). From the results of the experiments, it is found that the HTC-COOH is a potential adsorbent for effective removal of U(VI) from polluted water.
Magnetic nanopowder as effective adsorbent for the removal of Congo Red from aqueous solution.
Paşka, O; Ianoş, R; Păcurariu, C; Brădeanu, A
2014-01-01
A magnetic iron oxide nanopowder (MnP), prepared by a simple and efficient combustion synthesis technique, was tested for the removal of the anionic dye Congo Red (CR) from aqueous solution. The influence of solution pH, adsorbent dose, temperature, contact time and initial dye concentration on the adsorption of CR onto MnP were investigated. It was shown that the CR adsorption was pH dependent and the adsorption mechanism was governed by electrostatic forces. The adsorption kinetic was best described by the pseudo-second-order model and the equilibrium data were well fitted to the Langmuir isotherm, yielding maximum adsorption capacity of 54.46 mg g(-1). The undeniable advantages of the MnP adsorbent such as inexpensive preparation method, good adsorption capacity and easy separation using an external magnetic field, recommend it as a promising candidate for the removal of anionic dyes from polluted water. PMID:24647189
Solution- and Adsorbed-State Structural Ensembles Predicted for the Statherin-Hydroxyapatite System
Masica, David L.; Gray, Jeffrey J.
2009-01-01
Abstract We have developed a multiscale structure prediction technique to study solution- and adsorbed-state ensembles of biomineralization proteins. The algorithm employs a Metropolis Monte Carlo-plus-minimization strategy that varies all torsional and rigid-body protein degrees of freedom. We applied the technique to fold statherin, starting from a fully extended peptide chain in solution, in the presence of hydroxyapatite (HAp) (001), (010), and (100) monoclinic crystals. Blind (unbiased) predictions capture experimentally observed macroscopic and high-resolution structural features and show minimal statherin structural change upon adsorption. The dominant structural difference between solution and adsorbed states is an experimentally observed folding event in statherin's helical binding domain. Whereas predicted statherin conformers vary slightly at three different HAp crystal faces, geometric and chemical similarities of the surfaces allow structurally promiscuous binding. Finally, we compare blind predictions with those obtained from simulation biased to satisfy all previously published solid-state NMR (ssNMR) distance and angle measurements (acquired from HAp-adsorbed statherin). Atomic clashes in these structures suggest a plausible, alternative interpretation of some ssNMR measurements as intermolecular rather than intramolecular. This work demonstrates that a combination of ssNMR and structure prediction could effectively determine high-resolution protein structures at biomineral interfaces. PMID:19383454
NASA Astrophysics Data System (ADS)
Shang, Jingge; He, Wei; Fan, Chengxin
2015-01-01
Thermally activated pinecone (TAP) was used for the adsorption of dimethyl trisulfide (DMTS) from aqueous solutions, which was proved to be the main odorous in algae-caused black bloom. The effects of adsorbent dosage, adsorbate concentration and contact time on DMTS biosorption were studied. The TAP produced at 600°C exhibited a relatively high surface area (519.69 m2/g) and excellent adsorption capacity. The results show that the adsorption of DMTS was initially fast and that the equilibrium time was 6 h. Higher initial DMTS concentrations led to lower removal percentages but higher adsorption capacity. The removal percentage of DMTS increased and the adsorption capacity of TAP decreased with an increase in adsorbent dosage. The adsorption process conforms well to a pseudo-second-order kinetics model. The adsorption of DMTS is more appropriately described by the Freundlich isotherm ( R 2 =0.996 1) than by the Langmuir isotherm ( R 2 =0.916 9). The results demonstrate that TAP could be an attractive low-cost adsorbent for removing DMTS from water.
Wu, Shibiao; Zhang, Kaisheng; He, Junyong; Cai, Xingguo; Chen, Kai; Li, Yulian; Sun, Bai; Kong, Lingtao; Liu, Jinhuai
2016-02-15
A novel adsorbent, hydroxyl aluminum oxalate (HAO), for the high efficient removal of fluoride from aqueous solution was successfully synthesized. The adsorbent was characterized and its performance in fluoride (F(-)) removal was evaluated for the first time. Kinetic data reveal that the F(-) adsorption is rapid in the beginning followed by a slower adsorption process; 75.9% adsorption can be achieved within 1min and only 16% additional removal occurred in the following 239min. The F(-) adsorption kinetics was well described by the pseudo second-order kinetic model. The calculated adsorption capacity of this adsorbent for F(-) by Langmuir model was 400mgg(-1) at pH 6.5, which is one of the highest capabilities of today's materials. The thermodynamic parameters calculated from the temperature-dependent isotherms indicate that the adsorption reaction of F(-) on the HAO is a spontaneous process. The FT-IR spectra of HAO before and after adsorbing F(-) show adsorption mechanism should be hydroxyl and oxalate interchange with F(-). PMID:26624529
Fluoride removal from aqueous solution by Al(III)-Zr(IV) binary oxide adsorbent
NASA Astrophysics Data System (ADS)
Zhu, Jiuya; Lin, Xiaoyan; Wu, Pengwei; Zhou, Qiusheng; Luo, Xuegang
2015-12-01
In this study, a novel binary oxide adsorbent of Al2O3-ZrO2 was prepared via coprecipitation followed by calcination method, and the calcination temperatures were investigated. The adsorbent was characterized by XRD, EDX and XPS. The batch adsorption experiments were carried out at different parameters, such as solution pH, adsorbent dose, contact time, initial fluoride concentration and adsorption temperature, to evaluate the fluoride removal performance. The results showed that the adsorption isotherm was better described by the linear Langmuir model, and a maximum adsorption capacity was 114.54 mg/g. The adsorption kinetics was well fitted by the linear pseudo-second-order, and the correlation coefficient value (R2) was 0.997. The thermodynamic parameters of ΔH0, ΔS0 and ΔG0 were calculated, which showed that the fluoride adsorption process was spontaneous and exothermic. And the possible adsorption mechanism of the adsorbent for fluoride could involve the ligand-exchange and ion-exchange based on the results in the study.
Geopolymeric adsorbents from fly ash for dye removal from aqueous solution
Li, L.; Wang, S.B.; Zhu, Z.H.
2006-08-01
Adsorbents from coal fly ash treated by a solid-state fusion method using NaOH were prepared. It was found that amorphous aluminosilicate, geopolymers would be formed. These fly ash-derived inorganic polymers were assessed as potential adsorbents for removal of some basic dyes, methylene blue and crystal violet, from aqueous solution. It was found that the adsorption capacity of the synthesised adsorbents depends on the preparation conditions such as NaOH:fly-ash ratio and fusion temperature with the optimal conditions being at 1.2:1 weight ratio of Na:fly-ash at 250-350{sup o}C. The synthesised materials exhibit much higher adsorption capacity than fly ash itself and natural zeolite. The adsorption isotherm can be fitted by Langmuir and Freundlich models while the two-site Langmuir model produced the best results. It was also found that the fly ash derived geopolymeric adsorbents show higher adsorption capacity for crystal violet than methylene blue and the adsorption temperature influences the adsorption capacity. Kinetic studies show that the adsorption process follows the pseudo second-order kinetics.
Kinetic regimes of polyelectrolyte exchange between the adsorbed state and free solution
NASA Astrophysics Data System (ADS)
Sukhishvili, Svetlana A.; Granick, Steve
1998-10-01
We studied the exchange between the adsorbed state and free solution when polyelectrolyte chains, adsorbed to a solid surface of opposite charge, were displaced by chains of higher charge density. Metastable states of surface composition were extremely long-lived (>2-3 days). The system was a family of poly(1,4 vinyl)pyridines (PVP) with different fractions of charged segments (14%, 48%, and 98% quaternized and the same degree of polymerization); samples were exposed sequentially from aqueous D2O solution to a single silicon oxide substrate at pH where the surface carried a large negative charge (pH=9.2 or 10.5). Measurements were based on Fourier transform infrared spectroscopy in attenuated total reflection (FTIR-ATR). As a first conclusion, we found charge of adsorbed polymer to be conserved during extended exchange times, suggesting that charge at the surface (not mass adsorbed) regulated the dynamics of adsorption and desorption. Except at the highest ionic strength charge of polymer at the surface during the displacement process considerably exceeded that for the initially-adsorbed layer, suggesting an intermediate state in which newly-adsorbed chains were more extended from the surface and not yet equilibrated in their conformations. Second, we concluded that desorption was the rate-limiting step in adsorption-desorption, since the desorption rate responded more to changes of ionic strength than did the adsorption rate onto previously-adsorbed polymer. Ionic strength appeared to modulate the intensity of sticking to the surface. Third, we found that the initial stages of desorption obeyed a simple functional form, exponential in the square root of elapsed time. This is conclusively slower than a first-order kinetic process and suggests that desorption in this polyelectrolyte system was diffusion-controlled during the initial stages. It is the same functional form observed for flexible polymers in nonpolar solvents. Fourth, we concluded that at relatively low
Delval, Franck; Crini, Grégorio; Vebrel, Joël
2006-11-01
Two series of crosslinked starch polymers were tested for their ability to adsorb organic pollutants in aqueous solutions. The polymers were prepared by a crosslinking reaction of starch-enriched flour using epichlorohydrin as the crosslinking agent, without and in the presence of NH(4)OH. These polymers were used as sorbent materials for the removal of phenolic derivatives from wastewater. The influence of several parameters (kinetics, pH and polymer structure) on the sorption capacity was evaluated using the batch and the open column methods. Results of adsorption experiments showed that the starch-based materials exhibited high sorption capacities toward phenolic derivatives. The study of the kinetics of pollutant uptake revealed that the adsorbents presented a relatively fast rate of adsorption. The experimental data were examined using the Langmuir and Freundlich models and it was found that the Freundlich model appeared to fit the isotherm data better than the Langmuir model. PMID:16275061
Choi, J W; Chung, S G; Hong, S W; Kim, D J; Lee, S H
2011-01-01
In this study, a modified adsorbent, alginate complex beads, was prepared and applied to the removal of mixed contaminants from wastewater. The alginate complex beads were generated by the immobilization of powdered activated carbon and synthetic zeolites onto alginate gel beads, which were then dried at 110 °C for 20 h until the diameter had been reduced to 1 mm. This dry technique increased the hardness of the adsorbent to assure its durability and application. The adsorption onto the alginate complex beads of organic and inorganic compounds, as target contaminants, was investigated by performing both equilibrium and kinetic batch experiments. From the adsorption isotherms, according to the Langmuir equation, the alginate complex bead was capable of effectively removing benzene, toluene, zinc and cadmium. From kinetic batch experiments, the removal efficiencies of benzene, toluene, zinc and cadmium were found to be 66.5, 92.4, 74.1 and 76.7%, respectively, for initial solution concentrations of 100 mg L(-1). The results indicated that the adsorbent developed in this study has the potential to be a promising material for the removal of mixed pollutants from industrial wastewater or contaminated groundwater. PMID:22020474
Carbonized material adsorbents for the removal of mercury from aqueous solutions
1996-10-01
Charcoal in itself is porous making it an excellent material for activated charcoal manufacture. However, few studies have been conducted in harnessing its potential for adsorption purposes, especially in water treatment. This paper describes the possibility of utilizing charcoal materials from Sugi (Cryptomeria japonica) for adsorbing heavy metals like mercury from aqueous solutions of different concentrations. The effect of soaking time, pore analyses and chemical properties on the adsorption capabilities of the carbonized materials were discussed. The pH value and chemical oxygen demand (COD) monitored during the soaking period were also described.
Removal of copper ions from aqueous solution by adlai shell (Coix lacryma-jobi L.) adsorbents.
de Luna, Mark Daniel G; Flores, Edgar D; Cenia, Marie Chela B; Lu, Ming-Chun
2015-09-01
Adlai shell (Coix lacryma-jobi L.) adsorbents (ASA) were used to remove copper ions from aqueous solutions under batch conditions. The effect of physical and chemical modification of ASA on Cu(II) removal was evaluated. Results showed that the high coefficients of determination for the pseudo-second order (R(2) > 0.9999) and for the intraparticle diffusion (R(2) > 0.9843) equations indicate that the rate-determining step is a combination of pore diffusion and chemisorption at low Cu(II) concentration and boundary layer, pore diffusion and chemisorption at high Cu(II) concentration. At 298K and 100 mg L(-1) Cu(II), the computed qe and k2 values were 17.2 mg g(-1) and 0.012 g mg(-1) min(-1), respectively. The Freundlich model (R(2) > 0.9636) adequately describes the experimental data indicating heterogeneous adsorption. Overall, the results of the study demonstrate the potential of adlai shell adsorbents for the removal of heavy metals from aqueous solutions. PMID:26081160
Alkaline deoxygenated graphene oxide as adsorbent for cadmium ions removal from aqueous solutions.
Liu, Jun; Du, Hongyan; Yuan, Shaowei; He, Wanxia; Yan, Pengju; Liu, Zhanhong
2015-01-01
Alkaline deoxygenated graphene oxide (aGO) was prepared through alkaline hydrothermal treatment and used as adsorbent to remove Cd(II) ions from aqueous solutions for the first time. The characterization results of transmission electron microscopy, X-ray diffraction, Raman spectroscopy, and Fourier transform infrared (FT-IR) spectra indicate that aGO was successfully synthesized. The batch adsorption experiments showed that the adsorption kinetics could be described by the pseudo-second-order kinetic model, and the isotherms equilibrium data were well fitted with the Langmuir model. The maximum adsorption capacity of Cd(II) on aGO was 156 mg/g at pH 5 and T=293 K. The adsorption thermodynamic parameters indicated that the adsorption process was a spontaneous and endothermic reaction. The mainly adsorption mechanism speculated from FT-IR results may be attributed to the electrostatic attraction between Cd2+ and negatively charged groups (-CO-) of aGO and cation-π interaction between Cd2+ and the graphene planes. The findings of this study demonstrate the potential utility of the nanomaterial aGO as an effective adsorbent for Cd(II) removal from aqueous solutions. PMID:26038925
Utilization of ground eggshell waste as an adsorbent for the removal of dyes from aqueous solution.
Tsai, Wen-Tien; Hsien, Kuo-Jong; Hsu, Hsin-Chieh; Lin, Chien-Ming; Lin, Keng-Yu; Chiu, Chun-Hsiang
2008-04-01
The adsorption of cationic basic blue 9 and anionic acid orange 51 from aqueous solution onto the calcified eggshell (ES) and its ground eggshell powder (ESP) was carried out by varying the process parameters such as agitation speed, initial dye concentration, adsorbent mass and temperature. The adsorption potential for basic blue 9 onto ESP is far lower than that for acid orange 51, mainly due to the ionic interaction between the acid dye with the sulfonate groups and the positively charged sites on the surface of ESP. The adsorption capacity of acid orange 51 onto ES is significantly smaller than that onto ESP, which is in line with their pore properties (i.e., 1 vs. 21 m(2)/g). The experimental results showed that the adsorption process can be well described with a simple model, the pseudo-second-order model. According to the equilibrium adsorption capacity from the fitting of pseudo-second order reaction model, it was further found that the Freundlich model yields a somewhat better fit than the Langmuir model in the adsorption of acid orange 51 onto ESP. In addition, an increase in adsorption temperature from 15 to 45 degrees C significantly enhances the adsorption capacity of acid orange 51 onto ESP, revealing that the adsorption should be an endothermic or chemisorption process. From the results, it is feasible to utilize the ground eggshell waste as an effective adsorbent for removal of anionic dye from aqueous solution. PMID:17543519
A novel agricultural waste adsorbent for the removal of lead (II) ions from aqueous solutions.
Ibrahim, M N Mohamad; Ngah, W S Wan; Norliyana, M S; Daud, W R Wan; Rafatullah, M; Sulaiman, O; Hashim, R
2010-10-15
The present study explores the ability of modified soda lignin (MSL) extracted from oil palm empty fruit bunches (EFB) in removing lead (II) ions from aqueous solutions. The effect of contact time, point zero charge (pH(pzc)) and pH of the solution, initial metal ion concentration and adsorbent dosage on the removal process were investigated. Furthermore, the MSL is characterized by SEM, XRF, FT-IR and surface area analysis. Equilibrium adsorption isotherms and kinetics were investigated. The experimental data were analyzed by the Langmuir, Freundlich and Temkin models of adsorption. The kinetic data obtained at different initial concentrations were analyzed using pseudo-first-order and pseudo-second-order models. The results provide strong evidence to support the hypothesis of adsorption mechanism. PMID:20619537
NASA Astrophysics Data System (ADS)
Liu, Jinshui; Ma, Shi; Zang, Lingjie
2013-01-01
Quaternary ammonium polyethylenimine (PEI) was successfully modified to silica nanoparticle (QPEI/SiO2) as a new adsorbent to remove methyl orange from aqueous solution. The isotherm and kinetics of dye adsorption were studied, which showed that Langmuir isotherm fit the experimental results well. The maximum adsorption capacity of QPEI/SiO2 for methyl orange is 105.4 mg/g. The equilibrium time for methyl orange adsorption onto QPEI/SiO2 was as short as 10 min, indicating that the adsorbent has a strong affinity for methyl orange. The adsorption capacities of the methyl orange are slightly influenced by the pH in the range of 3.2-9.6. The QPEI/SiO2 adsorbent can be used in the wide pH range, which is different from other adsorbent. This may attribute to the quaternary ammonium carrying positive charges in acidic and basic solution.
Development of organovermiculite-based adsorbent for removing anionic dye from aqueous solution.
Yu, Xubiao; Wei, Chaohai; Ke, Lin; Hu, Yun; Xie, Xiaoqi; Wu, Haizhen
2010-08-15
This paper reports on the development of organovermiculite-based adsorbent for removing Congo Red (CR), a model anionic dye, from aqueous solution. The organovermiculite was prepared using hexadecyl trimethylammonium bromide (HDTMAB) with variations in cation exchange capacity (CEC) and was then characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The results from the adsorption experiments showed that with the organic modification of 50, 100, and 200% CEC, the adsorption capacity of vermiculite towards CR was greatly improved from 2.6 to 74.07, 175.44 and 192.31 mg/g, respectively, at 298 K. The adsorption isotherm experiment was conducted at different temperatures (298, 308 and 318 K), and it was found that the uptake of CR increased with increasing temperature. Langmuir and Freundlich isotherm models were applied and the Langmuir model was found to fit the equilibrium data better. The adsorption kinetics was found to follow the pseudo-second-order model. In addition, various thermodynamic parameters such as changes in enthalpy, entropy, and the Gibbs free energy were calculated, showing adsorption to be an endothermic yet spontaneous process. The results indicated that the organovermiculite may be an effective adsorbent for the removal of anionic dyes from wastewater. PMID:20466486
Fast removal of copper ions from aqueous solution using an eco-friendly fibrous adsorbent.
Niu, Yaolan; Ying, Diwen; Li, Kan; Wang, Yalin; Jia, Jinping
2016-10-01
Functional PET fiber (PET-AA-CS) was prepared by oxygen-plasma pretreatment and grafting of acrylic acid (AA) and low-molecular-weight chitosan (LMCS) on the polyethylene glycol terephthalate (PET) substrate. This adsorbent was targeted for quick removal of metal ion in river pollutions with an easy recycling of the fiber after emergency processing. The fabricated PET-AA-CS was characterized by the scanning electron microscope (SEM), contact angle, fourier transform infrared (FTIR) spectra and X-ray photoelectron spectroscopy (XPS) to look into its morphology, surface functional groups, and adsorption mechanism of copper ions from the aqueous solution. The overall adsorption process of copper ions on the PET-AA-CS was pH-dependent with an optimal pH value of 5.0, at which a maximum capacity of 68.97 mg g(-1) was obtained. The result of fitting also shows that adsorption process follows the Langmuir isotherm and pseudo-second-order model. Moreover, the material shows good stability during 5 cycles of adsorption and desorption, and also shows no significant effect of co-existing ions including Ca(2+), Mg(2+), K(+), Cl(-), and et al. In general, PET-AA-CS developed in this study shows significant benefit of eco-friend and cost-efficiency for fast removal of copper ions in potential river metal pollutions comparing with traditional adsorbents. PMID:27470942
Low-cost adsorbents from bio-waste for the removal of dyes from aqueous solution.
Manoj Kumar Reddy, P; Mahammadunnisa, Sk; Ramaraju, B; Sreedhar, B; Subrahmanyam, Ch
2013-06-01
Activated carbons (ACs) were developed from bio-waste materials like rice husk and peanut shell (PS) by various physicochemical activation methods. PS char digested in nitric acid followed by treatment at 673 K resulted in high surface area up to ∼585 m(2)/g. The novelty of the present study is the identification of oxygen functional groups formed on the surface of activated carbons by infrared and X-ray photoelectron spectroscopy and quantification by using temperature programmed decomposition (TPD). Typical TPD data indicated that each activation method may lead to varying amounts of acidic and basic functional groups on the surface of the adsorbent, which may be a crucial factor in determining the adsorption capacity. It was shown that ACs developed during the present study are good adsorbents, especially for the removal of a model textile dye methylene blue (MB) from aqueous solution. As MB is a basic dye, H(2)O(2)-treated rice husk showed the best adsorption capacity, which is in agreement with the acidic groups present on the surface. Removal of the dye followed Langmuir isotherm model, whereas MB adsorption on ACs followed pseudo-second-order kinetics. PMID:23233187
Exact solutions and singularities in string theory
Horowitz, G.T. ); Tseytlin, A.A. )
1994-10-15
We construct two new classes of exact solutions to string theory which are not of the standard plane wave of gauged WZW type. Many of these solutions have curvature singularities. The first class includes the fundamental string solution, for which the string coupling vanishes near the singularity. This suggests that the singularity may not be removed by quantum corrections. The second class consists of hybrids of plane wave and gauged WZW solutions. We discuss a four-dimensional example in detail.
Adsorption of arsenate from aqueous solution by rice husk-based adsorbent
NASA Astrophysics Data System (ADS)
Khan, Taimur; Chaudhuri, Malay
2013-06-01
Rice husk-based adsorbent (RHBA) was prepared by burning rice husk in a muffle furnace at 400°C for 4 h and adsorption of arsenate by the RHBA from aqueous solution was examined. Batch adsorption test showed that extent of arsenate adsorption depended on contact time and pH. Equilibrium adsorption was attained in 60 min, with maximum adsorption occurring at pH 7. Equilibrium adsorption data were well described by the Freundlich isotherm model. Freundlich constants Kf and 1/n were 3.62 and 2, respectively. The RHBA is effective in the adsorption of arsenate from water and is a potentially suitable filter medium for removing arsenate from groundwater at wells or in households.
Wei, Haoran; Deng, Shubo; Huang, Qian; Nie, Yao; Wang, Bin; Huang, Jun; Yu, Gang
2013-08-01
A novel granular carbon nanotubes (CNTs)/alumina (Al2O3) hybrid adsorbent with good sorption and regeneration properties was successfully prepared by mixing CNTs with surfactant Brij 35 and pseudo boehmite, followed by calcining to remove surfactant and form porous granules. Alumina binder increased the mechanical strength, hydrophilicity and porosity of the granular adsorbent, while the dispersed CNTs in the granular adsorbent were responsible for the sorption of diclofenac sodium (DS) and carbamazepine (CBZ). Scanning electron microscopy (SEM) showed that the CNTs and Al2O3 were mixed well and the porous structure was formed in the granular adsorbent. The high surface area and appropriate pore size of granular CNTs/Al2O3 adsorbent were favorable for sorption. The sorption of DS decreased with increasing solution pH, while pH had little effect on CBZ sorption. The maximum sorption capacities of CBZ and DS on the CNTs/Al2O3 adsorbent were 157.4 and 106.5 μmol/g according to the Langmuir fitting. Moreover, the spent CNTs/Al2O3 adsorbent can be thermally regenerated at 400 °C in air due to the thermal stability of CNTs. The removal of CBZ and DS changed a little in the initial reuse cycles and then kept relatively constant until tenth cycles. The adsorbed CBZ and DS were decomposed in the regeneration process. This regenerable adsorbent may find potential application in water or wastewater treatment for the removal of some micropollutants such as pharmaceuticals. PMID:23579087
Ma, Ying; Liu, Wu-Jun; Zhang, Nan; Li, Yu-Sheng; Jiang, Hong; Sheng, Guo-Ping
2014-10-01
A chemical modified biochar with abundant amino groups for heavy metal removal was prepared using polyethylenimine (PEI) as a modification reagent, and used as an adsorbent for the removal of Cr(VI) from aqueous solution. The biochars before and after modification were characterized by Fourier transformed infrared spectroscopy, X-ray photoelectron spectroscopy etc. The adsorption of Cr(VI) by the modified biochar was obeyed pseudo-second-order kinetic model and Langmuir adsorption isotherm model. Its maximum adsorption capacity was 435.7 mg/g, which was much higher than that of pristine biochar (23.09 mg/g). Results also indicated that the removal of Cr(VI) by the PEI modified biochar depended on solution pH, and a low pH value was favorable for the Cr(VI) removal. The results herein revealed that the PEI modified biochar had a good potential as a suitable material for sorption and detoxification of Cr(VI) from aqueous solution. PMID:25069094
Gomez-Gonzalez, Sergio Efrain; Carbajal-Arizaga, Gregorio Guadalupe; Manriquez-Gonzalez, Ricardo; De la Cruz-Hernandez, Wencel; Gomez-Salazar, Sergio
2014-11-15
Highlights: • Corpuscular sulphonic acid-functionalized silica holds improved uptake of chromium. • Mesopores on adsorbent facilitate (CH{sub 3}COO){sub 2}Cr{sup +} ion uptake on sulphonate sites. • Formation of chromium acetate sulphonate complex proposed from XPS results. • Fixed bed chromium uptake results suggest potential industrial use. - Abstract: A high capacity hybrid silica adsorbent was synthesized via sol–gel processing with sulphonic acid groups as trivalent chromium complex ions chelators from aqueous solutions. The synthesis included co-condensation of tetraethoxysilane (TEOS) with 3-(mercaptopropyl)trimethoxysilane (MPS), and oxidation of thiol to sulphonic acid groups. Chromium uptake kinetic, batch and fixed-bed experiments were performed to assess the removal of this metal from aqueous solutions. {sup 13}C, {sup 29}Si CPMAS NMR, FTIR, XPS were used to characterize the adsorbent structure and the nature of chromium complexes on the adsorbent surface. Chromium maximum uptake was obtained at pH 3 (72.8 mg/g). Elemental analysis results showed ligand density of 1.48 mmol sulphonic groups/g. About 407 mL of Cr(III) solution (311 mg/L) were treated to breakthrough point reaching ≤0.06 mg/L at the effluent. These results comply with USEPA regulation for chromium concentration in drinking water (≤0.1 mg/L). The adsorbent shows potential to be used in chromium separations to the industrial level.
Contact line of adsorbed colloid-polymer droplets in theory and experiment.
Koning, Jesper; Hennequin, Yves; Bonn, Daniel; Indekeu, Joseph O
2016-05-01
The contact line between the colloid-rich bulk liquid and an adsorbed thin film in colloid-polymer mixtures (CPM) is studied by means of an interface displacement model. The interface displacement profiles are compared to laser scanning confocal microscopy (LSCM) images. The mixtures consist of poly(methylmetacrylate) (PMMA) colloids and polystyrene (PS) polymers with polymer-to-colloid size ratio q = 1.18. Based on the experimental parameters, the theoretical model predicts a contact angle for colloid-rich liquid droplets adsorbed on glass of θ∞ = 59°, assuming a contact line with infinite radius, R = ∞. When a contact-line curvature correction and a correction for the protein-limit character of the CPM are taken into account, a modest shift is obtained. The refined theory predicts θ≈ 56°. The contact angle determined visually from the LSCM images is θ≈ 30°. The model predicts a three-phase contact-line tension of τ = -1.2 × 10(-12) N (uncorrected) and τ = -2.3 × 10(-13) N (with protein-limit correction), which is physically sound both in sign and magnitude. The line tension influences the contact angle to a small extent due to the contact line curvature. The predicted width of the transition zone between the thin film and the droplet is about 2 μm. The effect of gravity is noticeable as a deformation near the middle of the droplet. PMID:27029605
Hydrogen storage on palladium adsorbed graphene: A density functional theory study
NASA Astrophysics Data System (ADS)
Pantha, Nurapati; Khaniya, Asim; Adhikari, Narayan Prasad
2015-07-01
We have performed density functional theory (DFT)-based first-principles calculations to study the stability, geometrical structures, and electronic properties of a single palladium (Pd) atom adsorbed graphene with reference to pristine graphene. The study also covers the adsorption properties of molecular hydrogen/s on the most stable Pd-graphene geometry by taking into account London dispersion forces in addition to the standard DFT calculations in the Quantum ESPRESSO package. From the analysis of estimated values of binding energy of Pd on different occupation sites (i.e., bridge, hollow, and top) of graphene supercells, the bridge site is found to be the most favorable one with the magnitudes of 1.114, 1.426, and 1.433 eV in 2×2, 3×3, and 4×4 supercells, respectively. The study of the electronic properties of Pd adsorbed graphene shows a bandgap of 45 meV, which can account for the breaking of the symmetry of the graphene structure. Regarding the gaseous (hydrogen) adsorption on Pd-adatom graphene, we checked the increasing number of molecular hydrogens (H2) from one to seven on the 3×3 supercell, and found that the adsorption energy per H2 decreases on increasing hydrogen concentration and lies within the range of 0.998-0.151 eV.
Okoli, Chukwunonso Peter; Adewuyi, Gregory Olufemi; Zhang, Qian; Diagboya, Paul N; Guo, Qingjun
2014-12-19
Phthalate esters have been known as potent endocrine disruptors and carcinogens; and their removal from water have been of considerable concern recently. In the present study, γ-cyclodextrin polyurethane polymer (GPP), γ-cyclodextrin/starch polyurethane copolymer (GSP), and starch polyurethane polymer (SPP) have been synthesized and characterized. Their adsorption efficiencies for the removal of dimethyl phthalate (DMP) and diethyl phthalate (DEP) from aqueous solutions were investigated. The characterization results showed the success of the synthesis. The isotherms were L-type, and both the Langmuir and Freundlich adsorption isotherm gave good fittings to the adsorption data. Adsorption mechanisms suggested that these adsorbents spontaneously adsorb phthalate molecules driven mainly by enthalpy change, and the adsorption process was attributed to multiple adsorbent-adsorbate interactions such as hydrogen bonding, π-π stacking, and pore filling. The results showed that starch and γ-cyclodextrin polyurethane polymer adsorbents have excellent potential as adsorbent materials for the removal of phthalates from the contaminated water. PMID:25263912
Technology Transfer Automated Retrieval System (TEKTRAN)
This research studied the characteristics of poly(acrylamide) and methylcellulose (PAAm-MC) hydrogels as a novel adsorbent material for removal of pesticide paraquat, from aqueous solution, with potential applications in curbing environmental risk from such herbicides. PAAm-MC hydrogels with differe...
Chervanyov, A I
2014-12-28
We develop an analytic liquid-state theory of the effective interactions induced by reversibly adsorbing polymers, acting between colloids immersed in a polymer melt. This theory is based on the polymer reference interaction site model that has no restrictions with respect to the density of the polymer system and colloid-to-polymer size ratio. By making use of the developed theory, we calculate the potential of the polymer mediated interactions as a function of the colloid radius, strength and range of the adsorption potential, and the polymer density. In addition, we investigate the behavior of the second virial coefficient as a function of the polymer density in both the colloid and nano-particle limits. We found out that the presence of the adsorption interactions significantly changes the polymer mediated forces relative to the case of the pure entropic depletion interactions, showing most pronounced difference in the case of large polymer densities and small colloid-to-polymer size ratios. The significance of the above differences is determined by the relation between the range of the adsorption potential and polymer correlation length. PMID:25554175
Goldberg, M.C.; Cunningham, K.M.; Weiner, Eugene R.
1993-01-01
Photolysis of mono and di-carboxylic acids that are adsorbed onto the surface of the iron oxyhydroxide (goethite) results in an oxidation of the organic material and a reduction from Fe(III) to Fe(II) in the iron complex. There is a subsequent release of Fe2+ ions into solution. At constant light flux and constant solution light absorption, the factors responsible for the degree of photolytic reaction include: the number of lattice sites that are bonded by the organic acid; the rate of acid readsorption to the surface during photolysis; the conformation and structure of the organic acid; the degree of oxidation of the organic acid; the presence or absence of an ??-hydroxy group on the acid, the number of carbons in the di-acid chain and the conformation of the di-acid. The ability to liberate Fe(III) at pH 6.5 from the geothite lattice is described by the lyotropic series: tartrate>citrate> oxalate > glycolate > maleate > succinate > formate > fumarate > malonate > glutarate > benzoate = butanoate = control. Although a larger amount of iron is liberated, the series is almost the same at pH 5.5 except that oxalate > citrate and succinate > maleate. A set of rate equations are given that describe the release of iron from the goethite lattice. It was observed that the pH of the solution increases during photolysis if the solutions are not buffered. There is evidence to suggest the primary mechanism for all these reactions is an electron transfer from the organic ligand to the Fe(III) in the complex. Of all the iron-oxyhydroxide materials, crystalline goethite is the least soluble in water; yet, this study indicates that in an aqueous suspension, iron can be liberated from the goethite lattice. Further, it has been shown that photolysis can occur in a multiphase system at the sediment- water interface which results in an oxidation of the organic species and release of Fe2+ to solution where it becomes available for further reaction. ?? 1993.
Sorption studies of Cr(VI) from aqueous solution using bio-char as an adsorbent.
Hyder, A H M G; Begum, Shamim A; Egiebor, Nosa O
2014-01-01
The characteristics of sorption of hexavalent chromium (Cr(VI)) onto bio-char derived from wood chips (spruce, pine, and fir) were evaluated as a function of pH, initial Cr(VI) concentration and bio-char dosage using synthetic wastewater in batch tests. The initial Cr(VI) concentrations were varied between 10 and 500 mg/L to investigate equilibrium, kinetics, and isotherms of the sorption process. About 100% of Cr(VI) was removed at pH 2 with initial Cr(VI) concentration of 10 mg/L using 4 g of bio-char after 5 hours of sorption reaction. The maximum sorption capacity of the bio-char was 1.717 mg/g for an initial Cr(VI) concentration of 500 mg/L after 5 hours. The sorption kinetics of total Cr onto bio-char followed the second-order kinetic model. The Langmuir isotherm model provided the best fit for total Cr sorption onto bio-char. The bio-char used is a co-product of a down draft gasifier that uses the derived syngas to produce electricity. Bio-char as a low cost adsorbent demonstrated promising results for removal of Cr(VI) from aqueous solution. The findings of this study would be useful in designing a filtration unit with bio-char in a full-scale water and wastewater treatment plant for the Cr(VI) removal from contaminated waters. PMID:24901621
Smith, G.; Baker, S.; Toprakcioglu, C.
1996-09-01
This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Polymer-based separation techniques rely on the ability of a binding portion of the polymer to interact with a specific molecule in a solution flowing past the polymer. The location of the binding site within or out of the entangled polymer chains is thus crucial to the effectiveness of these methods. For this reason, the details of flow induced deformation of the polymer chains is important in such applications as exclusion chromatography, waste water treatment, ultrafiltration, enhanced oil recovery and microbial adhesion. Few techniques exist to examine the structure and orientation of polymeric materials, and even fewer to examine systems in a dynamic fluid flow. The goal of this project was to understand the molecular structure and orientation of adsorbed polymers with and without active binding ligands as a function of solvent shear rate, solvent power, polymer molecular weight, surface polymer coverage and heterogeneity of the surface polymer chains by neutron reflectometry in a newly designed shear cell. Geometrical effects on binding of molecules in the flow was also studied subject to the same parameters.
Modified durian seed as adsorbent for the removal of methyl red dye from aqueous solutions
NASA Astrophysics Data System (ADS)
Ahmad, Mohd Azmier; Ahmad, Norhidayah; Bello, Olugbenga Solomon
2015-12-01
Mesoporous-activated carbon from durian seed (DSAC) was prepared; it was used as adsorbent for the removal of methyl red (MR) dye from aqueous solution. Textural and adsorptive characteristics of activated carbon prepared from raw durian seed (DS), char durian seed (char DS) and activated durian seed (DSAC) were studied using scanning electron microscopy, Fourier transform infra red spectroscopy, proximate analysis and adsorption of nitrogen techniques, respectively. Acidic condition favors the adsorption of MR dye molecule by electrostatic attraction. The maximum dye removal was 92.52 % at pH 6. Experimental data were analyzed by eight model equations: Langmuir, Freundlich, Temkin, Dubinin-Radushkevich, Radke-Prausnitz, Sips, Vieth-Sladek and Brouers-Sotolongo isotherms and it was found that the Freundlich isotherm model fitted the adsorption data most. Adsorption rate constants were determined using pseudo-first-order, pseudo-second-order, Elovich, intraparticle diffusion and Avrami kinetic model equations. The results clearly showed that the adsorption of MR dye onto DSAC followed pseudo-second-order kinetic model. Both intraparticle and film diffusion were involved in the adsorption process. The mean energy of adsorption calculated from D-R isotherm confirmed the involvement of physical adsorption. Thermodynamic parameters were obtained and it was found that the adsorption of MR dye onto DSAC was an endothermic and spontaneous process at the temperatures under investigation.
Heterocoagulated clay-derived adsorbents for phosphate decontamination from aqueous solution.
Gan, Fangqun; Luo, Yufeng; Hang, Xiaoshuai; Zhao, Hongting
2016-01-15
A series of nanocomposite adsorbents were prepared by heterocoagulation of negatively charged delaminated montmorillonite (Mt) and positively charged synthetic layered double hydroxide (LDH) colloids with different LDH loading amounts. The mineralogy and physicochemical properties of the resulting nanocomposites were characterized. Their potential applications for phosphate (P) removal from aqueous solution, as a function of P concentration (2.5-200 mg/L), contact time (1 min-48 h) and pH (3-10), were evaluated by using batch adsorption modes. It was found that the adsorption data could be well described by both Freundlich and Langmuir isotherm models. The maximum adsorption capacity of three different LDH heterocoagulated montmorillonites (LDH-Mts) for P removal was found to increase with LDH loadings, reaching 12.6, 16.2 and 23.3 mg/g respectively; Adsorption kinetic data revealed that 90% of adsorption onto LDH-Mts was completed within 1 h (h) and the adsorption process could be well described by the pseudo-second-order model. These results demonstrated that heterocoagulation of Mt and LDH could preserve the adsorption capacity of LDH for P and enhance the stability of both clay minerals, and LDH-Mts could be effectively used as a potential promising filtration medium for P removal. PMID:26468604
Theory for Surface Structure of Electrolyte Solutions.
NASA Astrophysics Data System (ADS)
Nichols, Albert Loyd, III
A theory is developed for the salt concentration profile and ion-ion correlations near surfaces of electrolyte solutions. We use the random phase approximation to study the primitive surface model employed by Onsager and Samaras, and others. In this model the chief technical complication is the correct treatment of image forces. We invent an exact rearrangement of the mathematical formulation of the problem which makes especially transparent the special case solutions (infinite dielectric constant mismatch) previously found. This reformulation guides an analytical solution for arbitrary dielectric constant mismatch between the two phases, subject to other assumptions adopted by previous workers. Similarly general results are derived for mixtures of ionic and dipolar solutes. These general results form the basis for extending our theoretical studies in several new directions. First, higher concentration corrections are investigated. It is shown that over an experimentally significant range of low concentrations for aqueous solutions the initial concentration correction to the Onsager-Samaras absorption has a negative definite sign. The theory, including concentration corrections, is compared to available computer simulation data, and close agreement is found for aqueous solutions below a few tenths molar. Second, the theory is developed to treat asymmetric electrolytes, and applied to ionic surfactants spread on water-hydrocarbon interfaces. Again, the theory accurately describes available experimental data. Third, the theory is broadened to acknowledge the solubility of the salt in both phases. It is found that this generalization changes the qualitative nature of the low concentration limiting law for the excess surface tension: the limiting behavior is changed from the (rho)ln(rho) dependence predicted by Onsager and Samaras to a more generally correct (rho)(' 1/2) dependence. Experimental data which might test this (rho)(' 1/2) behavior are not presently
Djati Utomo, H; Hunter, K A
2006-01-01
The adsorption of the divalent cations of Cu, Zn, Cd and Pb by tea leaves and coffee grounds from aqueous solutions is described. Both adsorbents exhibited strong affinity for these ions which could be described by a simple single-site equilibrium model. For coffee, the order of increasing adsorption equilibrium constant K was Cu < Pb < Zn < Cd, while for tea the opposite order was observed indicating that the adsorption sites on each adsorbent have a different chemical nature. Adsorption decreased at low pH < 4 through competition with H+ for adsorption sites, and for all metals except Cu, at high pH > 10, probably because of anion formation in the case of Zn2+ and also increased leaching of metal-binding soluble materials. The effect of metal ion concentration on the adsorptive equilibria indicated a threshold concentration above which overall adsorption became limited by saturation of the adsorption sites. Competition between two metal ions for the same sites was not observed with Cu(II) and Pb(II), however Zn(II) reacted competitively with Cd(II) binding sites on both tea and coffee. If fresh coffee or tea adsorbents were used, the fraction of metal ion taken up by the adsorbent was diminished by the competitive effects of soluble metal-binding ligands released by the tea or coffee. Experiments with coffee showed that roasting temperature controls the formation of metal ion adsorption sites for this adsorbent. PMID:16457172
Sheshmani, Shabnam; Ashori, Alireza; Hasanzadeh, Saeed
2014-07-01
Magnetic graphene/chitosan (MGCh) nanocomposite was fabricated through a facile chemical route and its application as a new adsorbent for Acid Orange 7 (AO7) removal was also investigated. After synthesis, the full characterization with various techniques (FTIR, XRD, VSM, and SEM) was achieved revealing many possible interactions/forces of dye-composite system. The results showed that, benefiting from the surface property of graphene oxide, the abundant amino and hydroxyl functional groups of chitosan, and from the magnetic property of Fe3O4, the adsorbent possesses quite a good and versatile adsorption capacity to the dye under investigation, and can be easily and rapidly extracted from water by magnetic attraction. The maximum absorption capacity was reached at initial pH 3 and 120min contact time. The batch adsorption experiments showed that the adsorption of the AO7 is considerably dependent on pH of milieu, amount of adsorbent, and contact time. The adsorption kinetics and isotherms were investigated to indicate that the kinetic and equilibrium adsorption were well-described by pseudo-first order kinetic and Langmuir isotherm model, respectively. The adsorption behavior suggested that the adsorbent surface was homogeneous in nature. The study suggests that the MGCh is a promising nano adsorbent for removal of anionic azo dyes from aqueous solution. PMID:24813679
Alves, Cibele C. O.; Franca, Adriana S.; Oliveira, Leandro S.
2013-01-01
Adsorption of phenolic amino acids, such as phenylalanine and tyrosine, is quite relevant for the production of protein hydrolysates used as dietary formulations for patients suffering from congenital disorders of amino acid metabolism, such as phenylketonuria. In this study, an adsorbent prepared from corn cobs was evaluated for the removal of tyrosine (Tyr) from both a single component solution and a binary aqueous solution with phenylalanine (Phe). The adsorption behavior of tyrosine was similar to that of phenylalanine in single component solutions, however, with a much lower adsorption capacity (14 mg g−1 for Tyr compared to 109 mg g−1 for Phe). Tyr adsorption kinetics was satisfactorily described by a pseudosecond-order model as it was for Phe. In adsorption equilibrium studies for binary mixtures, the presence of Tyr in Phe solutions favored Phe faster adsorption whereas the opposite behavior was observed for the presence of Phe in Tyr solutions. Such results indicate that, in binary systems, Phe will be adsorbed preferably to Tyr, and this is a welcome feature when employing the prepared adsorbent for the removal of Phe from protein hydrolysates to be used in dietary formulations for phenylketonuria treatment. PMID:23936863
Supersaturated Electrolyte Solutions: Theory and Experiment
NASA Technical Reports Server (NTRS)
Izmailov, Alexander F.; Myerson, Allan S.; Na, Han-Soo
1995-01-01
Highly supersaturated electrolyte solutions can be prepared and studied employing an electrodynamic levitator trap (ELT) technique. The ELT technique involves containerless suspension of a microdroplet thus eliminating dust, dirt, and container walls which normally cause heterogeneous nucleation. This allows very high supersaturations to be achieved. A theoretical study of the experimental results obtained for the water activity in microdroplets of various electrolyte solutions is based on the development of the Cahn-Hilliard formalism for electrolyte solutions. In the approach suggested the metastable state for electrolyte solutions is described in terms of the conserved order parameter omega(r,t) associated with fluctuations of the mean solute concentration n(sub 0). Parameters of the corresponding Ginzburg-Landau free energy functional which defines the dynamics of metastable state relaxation are determined and expressed through the experimentally measured quantities. A correspondence of 96-99 % between theory and experiment for all solutions studied was achieved and allowed the determination of an analytical expression for the spinodal concentration n(sub spin), and its calculation for various electrolyte solutions at 298 K. The assumption that subcritical solute clusters consist of the electrically neutral Bjerrum pairs has allowed both analytical and numerical investigation of the number-size N(sub c) of nucleation monomers (aggregates of the Bjerrum pairs) which are elementary units of the solute critical clusters. This has also allowed estimations for the surface tension Alpha, and equilibrium bulk energy Beta per solute molecule in the nucleation monomers. The dependence of these properties on the temperature T and on the solute concentration n(sub 0) through the entire metastable zone (from saturation concentration n(sub sat) to spinodal n(sub spin) is examined. It has been demonstrated that there are the following asymptotics: N(sub c), = I at spinodal
NASA Astrophysics Data System (ADS)
Santana, Juan A.; Ishikawa, Yasuyuki
2009-08-01
In the study of CO poisoning of the platinum-based hydrogen anode in the polymer electrolyte fuel cell, a key issue that has eluded our understanding is the interactions of CO adsorbed on Pt surfaces and solvent H 2O. Our density-functional theory calculations reveal a new interpretation of the adsorbed state of CO and its interaction with water under electrochemical conditions, which rationalizes the observed quantitative relationship between infrared intensities for adsorbed bridging CO (bridge) and water exhibiting a high-frequency O-H stretch (ca. 3650 cm -1). The theoretical modeling indicates that the observed feature is due to a water molecule firmly hydrogen-bonded to CO (bridge).
A novel magnetic adsorbent based on waste litchi peels for removing Pb(II) from aqueous solution.
Jiang, Ruixue; Tian, Jiyu; Zheng, Hao; Qi, Jinqiu; Sun, Shujuan; Li, Xiaochen
2015-05-15
A new magnetic bioadsorbent, magnetic litchi peel (MLP), was synthesized by coating powdered litchi peel with Fe3O4, and was used for removing Pb(II) from aqueous solutions. The influencing factors, adsorption isotherms, kinetics, and thermodynamics of Pb(II) adsorption by MLP were investigated using batch assays. Optimum Pb(II) adsorption by MLP was achieved using a contact time of 120 min, an adsorbent dose of 5 g/L, and pH of 6.0. The adsorption equilibrium data conformed to the Langmuir isotherm model, yielding a maximum Pb(II) adsorption capacity of 78.74 mg/g. The adsorption kinetics for Pb(II) adsorption by MLP followed a pseudo-second-order model. The thermodynamic results suggested that Pb(II) adsorption by MLP was spontaneous and exothermic. Additionally, the magnetic adsorbent was easily and rapidly separated out of solution under an external magnetic field. PMID:25770959
Ghorai, Soumitra; Sarkar, Amit Kumar; Panda, A B; Pal, Sagar
2013-09-01
The aim of this work is to study the feasibility of XG-g-PAM/SiO2 nanocomposite towards its potential application as high performance adsorbent for removal of Congo red (CR) dye from aqueous solution. The surface area, average pore size and total pore volume of the developed nanocomposite has been determined. The efficiency of CR dye adsorption depends on various factors like pH, temperature of the solution, equilibrium time of adsorption, agitation speed, initial concentration of dye and adsorbent dosage. It has been observed that the nanocomposite is having excellent CR dye adsorption capacity (Q0=209.205 mg g(-1)), which is considerably high. The dye adsorption process is controlled by pseudo-second order and intraparticle diffusion kinetic models. The adsorption equilibrium data correlates well with Langmuir isotherm. Desorption study indicates the efficient regeneration ability of the dye loaded nanocomposite. PMID:23896441
A monopole solution in open string theory
NASA Astrophysics Data System (ADS)
Behrndt, K.
1994-02-01
We investigate a solution of the Weyl invariance conditions in open string theory in four dimensions. In the closed string sector this solution is a combination of the SU(2) Wess-Zumino-Witten model and a Liouville theory. The investigation is carried out in the σ model approach where we have coupled all massless modes (especiallyan abelian gauge field via the boundary) and tachyon fields. Neglecting all higher derivatives in the field strength we get an exact result which can be interpreted as a monopole configuration living in non-trivia space-time. The masses of both tachyon fields are quantized by cWZW. But only for massless tachyons ( cWZW = 1) the corresponding vertex operators are well defined.
Peláez-Cid, A A; Velázquez-Ugalde, I; Herrera-González, A M; García-Serrano, J
2013-11-30
For this research, three different adsorbents, one untreated and two chemically activated, were prepared from Opuntia ficus-indica fruit waste. By the construction of adsorption isotherms, its adsorption capabilities and the viability of its use in the removal of textile basic and direct type dyes were determined. It was found that the adsorbent with the most adsorption capacity for basic dyes was the one activated with NaClO, and, for direct dyes, it was the one activated with NaOH. Langmuir and Freundlich equations isotherms were applied for the analysis of the experimental data. It was found that the Freundlich model best described the adsorption behavior. The adsorption capacity was improved when the pH of the dye solution had an acid value. The specific surface area of the adsorbents was calculated by means of methylene blue adsorption at 298 K to stay within a range between 348 and 643 m(2) g(-1). The FTIR spectroscopic characterization technique, the SEM, the point of zero charge, and the elemental analysis show the chemical and physical characteristics of the studied adsorbents, which confirm the adsorption results obtained. PMID:24071717
Adsorption of Hg(II) from aqueous solutions using TiO2 and titanate nanotube adsorbents
NASA Astrophysics Data System (ADS)
López-Muñoz, María-José; Arencibia, Amaya; Cerro, Luis; Pascual, Raquel; Melgar, Álvaro
2016-03-01
Titania and titanate nanotubes were evaluated as adsorbents for the removal of Hg(II) from aqueous solution. Commercial titanium dioxide (TiO2-P25, Evonik), a synthesized anatase sample obtained by the sol-gel method (TiO2-SG) and titanate nanotubes (TNT) prepared via hydrothermal treatment were compared. Mercury adsorption was analysed by kinetic and equilibrium experiments, studying the influence of pH and the type of adsorbents. The kinetics of Hg(II) adsorption on titania and titanate nanotubes could be well described by the pseudo-second order model. It was found that the process is generally fast with small differences between adsorbents, which cannot be explained by their dissimilarities in textural properties. Equilibrium isotherm data were best fitted with the Sips isotherm model. The maximum adsorption capacities of Hg(II) were achieved with titanate nanotubes sample, whereas between both titania samples, TiO2-SG exhibited the highest mercury uptake. For all adsorbents, adsorption capacities were enhanced as pH was increased, achieving at pH 10 Hg(II) adsorption capacities of 100, 121, and 140 mg g-1 for TiO2-P25, TiO2-SG, and TNT, respectively. Differences between samples were discussed in terms of their crystalline phase composition and chemical nature of both, mercury species and surface active sites.
NASA Astrophysics Data System (ADS)
Anbia, Mansoor; Ghaffari, Arezoo
2009-09-01
Phenolic compounds are a widespread class of water pollutants that are known to cause serious human health problems; and the demand for effective adsorbents for the removal of toxic compounds is increasing. In this work adsorption of phenol, resorcinol and p-cresol on mesoporous carbon material (CMK-1) and modified with polyaniline polymer (CMK-1/PANI) has been investigated in attempt to explore the possibility of using nanoporous carbon as an efficient adsorbent for pollutants. It was found that CMK-1/PANI exhibits significant adsorption for phenolic derivatives. Batch adsorption studies were carried out to study the effect of various parameters like adsorbent dose, pH, initial concentration and contact time. From the sorption studies it was observed that the uptake of resorcinol was higher than other phenolic derivatives. Freundlich and Langmuir adsorption isotherms were used to model the equilibrium adsorption data for phenolic compounds.
Theory of surface light scattering from a fluid-fluid interface with adsorbed polymeric surfactants
NASA Astrophysics Data System (ADS)
Buzza, D. M. A.; Jones, J. L.; McLeish, T. C. B.; Richards, R. W.
1998-09-01
We present a microscopic theory for the interfacial rheology of a fluid-fluid interface with adsorbed surfactant and calculate the effect of this on surface light scattering from the interface. We model the head and tail groups of the surfactant as polymer chains, a description that becomes increasingly accurate for large molecular weight surfactants, i.e., polymeric surfactants. Assuming high surface concentrations so that we have a double-sided polymer brush monolayer, we derive microscopic scaling expressions for the surface viscoelastic constants using the Alexander-deGennes model. Our results for the surface elastic constants agree with those in the literature, while the results for the viscous constants are new. We find that four elastic constants, i.e., γ (surface tension), ɛ (dilational elasticity), κ (bending modulus), λ (coupling constant), and three viscous constants, i.e., ɛ',κ',λ' (the viscous counterparts of ɛ, κ, and λ, respectively) are required for a general description of interfacial viscoelasticity (neglecting in-plane shear). In contrast to current phenomenological models, we find (1) there is no viscous counterpart to γ, i.e., γ'≡0; (2) there are two additional complex surface constants (i.e., λ+iωλ' and κ+iωκ') due to the finite thickness of the monolayer. Excellent agreement is found comparing our microscopic theory with measurements on diblock copolymer monolayers. We further derive the dispersion relation governing surface hydrodynamic modes and the power spectrum for surface quasielastic light scattering (SQELS) for a general interface parameterized by all the surface viscoelastic constants. Limiting results are presented for (1) liquid-air interfaces; (2) liquid-liquid interfaces with ultralow γ. The significant contribution of κ in the latter case opens up the possibility for a direct measurement of κ using SQELS for polymeric surfactant monolayers. Finally, we show that the coupling constant λ can lead to
Indah, S; Helard, D; Sasmita, A
2016-01-01
Adsorption of iron from aqueous solution by using maize husk (Zea mays L.) as a low-cost adsorbent was studied. Batch experiments were carried out at ambient temperature, 0.075-0.250 mm of particle size and 100 rpm of agitation speed to determine the influence of initial pH, adsorbent dose, initial concentration and contact time on the removal of iron. Langmuir and Freundlich models were applied to describe the adsorption isotherm of iron by maize husk. The results showed that optimum condition of iron removal were 4 of pH solution, 20 g/L of adsorbent dose, 10 mg/L of Fe concentration and 15 min of contact time of adsorption with 0.499 mg Fe/g maize husk of adsorption capacity. Experimental data fitted well to Langmuir's adsorption equilibrium isotherm within the concentration range studied. This study demonstrated that maize husk, which is an agricultural waste, has potential for iron removal from groundwater or other polluted waters. PMID:27332838
As(V) adsorption onto nanoporous titania adsorbents (NTAs): effects of solution composition.
Han, Dong Suk; Batchelor, Bill; Park, Sung Hyuk; Abdel-Wahab, Ahmed
2012-08-30
This study has focused on developing two nanoporous titania adsorbents (NTA) to enhance removal efficiency of adsorption process for As(V) by characterizing the effects of pH and phosphate concentration on their sorption capacities and behaviors. One type of adsorbent is a mesoporous titania (MT) solid phase and the other is group of a highly ordered mesoporous silica solids (SBA-15) that can incorporate different levels of reactive titania sorption sites. Microscopic analysis showed that Ti((25))-SBA-15 (Ti/SBA=0.25 g/g) had titania nanostructured mesopores that do not rupture the highly ordered hexagonal silica framework. However, MT has disordered, wormhole-like mesopores that are caused by interparticle porosity. Adsorption experiments showed that Ti((25))-SBA-15 had a greater sorption capacity for As(V) than did Ti((15))-SBA-15 or Ti((35))-SBA-15 and the amount of As(V) adsorbed generally decreased as pH increased. Higher removal of As(V) was observed with Ti((25))-SBA-15 than with MT at pH 4, but MT had higher removals at higher pH (7, 9.5), even though MT has a lower specific surface area. However, in the presence of phosphate, MT showed higher removal of As(V) at low pH rather than did Ti((25))-SBA-15. As expected, the NTAs showed very fast sorption kinetics, but they followed a bi-phasic sorption pattern. PMID:22727482
Aly, Zaynab; Graulet, Adrien; Scales, Nicholas; Hanley, Tracey
2014-03-01
Economic adsorbents in bead form were fabricated and utilised for the adsorption of Al(3+) from aqueous solutions. Polyacrylonitrile (PAN) beads, PAN powder and the thermally treated PAN beads (250 °C/48 h/Ar and 600 °C/48 h/Ar-H2) were characterised using different techniques including Fourier transform infrared spectroscopy, X-ray diffraction, specific surface analysis (Brunauer-Emmett-Teller), thermogravimetric analysis as well as scanning electron microscopy. Effects of pH, contact time, kinetics and adsorption isotherms at different temperatures were investigated in batch mode experiments. Aluminium kinetic data best fit the Lagergren pseudo-second-order adsorption model indicating a one-step, surface-only, adsorption process with chemisorption being the rate limiting step. Equilibrium adsorption data followed a Langmuir adsorption model with fairly low monolayer adsorption capacities suitable for freshwater clean-up only. Various constants including thermodynamic constants were evaluated from the experimental results obtained at 20, 40 and 60 °C. Positive values of ΔH° indicated that the adsorption of Al(3+) onto all three adsorbents was endothermic with less energy input required for PAN powder compared to PAN beads and low-temperature thermally treated PAN. Negative ΔG° values indicated that the aluminium adsorption process was spontaneous for all adsorbents examined. PMID:24297464
Density functional theory study of Fe, Co, and Ni adatoms and dimers adsorbed on graphene
NASA Astrophysics Data System (ADS)
Johll, Harman; Kang, Hway Chuan; Tok, Eng Soon
2009-06-01
Metal clusters have been investigated rather intensely for both fundamental and technological reasons. In this work we report the results of plane-wave density functional theory calculations of Fe, Co, and Ni adatoms and dimers adsorbed on graphene. We study both homonuclear and heteronuclear dimers, and the latter includes mixed dimers of Fe, Co, and Ni along with dimers of these elements with Pt. Our work is motivated by the fundamental interest in their configurational and magnetic properties. We calculated the adsorption site, the structure and relative stabilities of various adsorption configurations, the band structures, the atomic projected electronic density of states, and the magnetic moments of the adatoms and dimers. Contrary to previous work, our results show that adatoms bind weakly to graphene with binding energies ranging from 0.2 to 1.4 eV depending on the adsorption site and species. For both homonuclear and heteronuclear dimers the binding energies per atom are lower than the respective adatom cases, ranging from 0.1 to 0.5 eV per metal atom. The most strongly bound configurations for all the dimers studied are those with the dimer axis (nearly) perpendicular to the graphene plane and bound at the hole site. These configurations, which, to our knowledge, have not been considered in previous work, also turn out to have the largest enhancement of the magnetic moment at least for the atom farther from the graphene. The binding energies of these most strongly bound dimers are dependent on three factors, namely, the interconfigurational energy change in the dimer atom farther from graphene upon desorption, the charge transfer from the dimer to the graphene, and the adsorption site favored by the atom closer to the graphene sheet. The first factor is dominant for all the dimers studied here except for CoPt and NiPt. The relatively high electronegativity of Pt affects the character of the charge transfer from the dimer to graphene. In most of the dimers
Baig, Shams Ali; Sheng, TianTian; Sun, Chen; Xue, XiaoQin; Tan, LiSha; Xu, XinHua
2014-01-01
The presence of elevated concentration of arsenic in water sources is considered to be health hazard globally. Calcination process is known to change the surface efficacy of the adsorbent. In current study, five adsorbent composites: uncalcined and calcined Fe3O4-HBC prepared at different temperatures (400°C and 1000°C) and environment (air and nitrogen) were investigated for the adsorptive removal of As(V) and As(III) from aqueous solutions determining the influence of solution's pH, contact time, temperature, arsenic concentration and phosphate anions. Characterizations from FTIR, XRD, HT-XRD, BET and SEM analyses revealed that the Fe3O4-HBC composite at higher calcination temperature under nitrogen formed a new product (fayalite, Fe2SiO4) via phase transformation. In aqueous medium, ligand exchange between arsenic and the effective sorbent site ( = FeOOH) was established from the release of hydroxyl group. Langmuir model suggested data of the five adsorbent composites follow the order: Fe3O4-HBC-1000°C(N2)>Fe3O4-HBC (uncalcined)>Fe3O4-HBC-400°C(N2)>Fe3O4-HBC-400°C(air)>Fe3O4-HBC-1000°C(air) and the maximum As(V) and As(III) adsorption capacities were found to be about 3.35 mg g−1 and 3.07 mg g−1, respectively. The adsorption of As(V) and As(III) remained stable in a wider pH range (4–10) using Fe3O4-HBC-1000°C(N2). Additionally, adsorption data fitted well in pseudo-second-order (R2>0.99) rather than pseudo-first-order kinetics model. The adsorption of As(V) and As(III) onto adsorbent composites increase with increase in temperatures indicating that it is an endothermic process. Phosphate concentration (0.0l mM or higher) strongly inhibited As(V) and As(III) removal through the mechanism of competitive adsorption. This study suggests that the selective calcination process could be useful to improve the adsorbent efficiency for enhanced arsenic removal from contaminated water. PMID:24967645
NASA Astrophysics Data System (ADS)
Zhao, Yuyun; Wang, Zhuo; Zhang, Wei; Jiang, Xingyu
2010-10-01
This report shows that, of the Tween series (Tween 20, Tween 40, Tween 60 and Tween 80) of nonionic surfactants adsorbed on gold nanoparticles (NPs), Tween 80 makes the NPs most stably dispersed in aqueous solutions with or without the presence of representative biological molecules, such as nucleic acids or proteins of different sizes, isoelectric points (pIs) and shapes. In addition, the stability of gold NPs already modified with poly(L-lysine)-graft-poly(ethylene glycol) (PLL-PEG) or hexa(ethylene glycol)-terminated undecanylthiol (HS(CH2)11EG6OH) is further improved in solutions of proteins when Tween 80 is co-adsorbed on the gold NPs. This strategy is the most effective when adsorption of Tween 80 on gold NPs precedes the coating of PLL-PEG or HS(CH2)11EG6OH on the NPs.This report shows that, of the Tween series (Tween 20, Tween 40, Tween 60 and Tween 80) of nonionic surfactants adsorbed on gold nanoparticles (NPs), Tween 80 makes the NPs most stably dispersed in aqueous solutions with or without the presence of representative biological molecules, such as nucleic acids or proteins of different sizes, isoelectric points (pIs) and shapes. In addition, the stability of gold NPs already modified with poly(L-lysine)-graft-poly(ethylene glycol) (PLL-PEG) or hexa(ethylene glycol)-terminated undecanylthiol (HS(CH2)11EG6OH) is further improved in solutions of proteins when Tween 80 is co-adsorbed on the gold NPs. This strategy is the most effective when adsorption of Tween 80 on gold NPs precedes the coating of PLL-PEG or HS(CH2)11EG6OH on the NPs. Electronic supplementary information (ESI) available: Chemical structures and physicochemical properties of nonionic surfactants of Tween series, transmission electron microscopy of gold NPs stabilized by citrate and size distribution. See DOI: 10.1039/c0nr00309c
Research on the theory and application of adsorbed natural gas used in new energy vehicles: A review
NASA Astrophysics Data System (ADS)
Nie, Zhengwei; Lin, Yuyi; Jin, Xiaoyi
2016-05-01
Natural gas, whose primary constituent is methane, has been considered a convincing alternative for the growth of the energy supply worldwide. Adsorbed natural gas (ANG), the most promising methane storage method, has been an active field of study in the past two decades. ANG constitutes a safe and low-cost way to store methane for natural gas vehicles at an acceptable energy density while working at substantially low pressures (3.5-4.0 MPa), allowing for conformable store tank. This work serves to review the state-of-the-art development reported in the scientific literature on adsorbents, adsorption theories, ANG conformable tanks, and related technologies on ANG vehicles. Patent literature has also been searched and discussed. The review aims at illustrating both achievements and problems of the ANG technologies- based vehicles, as well as forecasting the development trends and critical issues to be resolved of these technologies.
Parhi, Purnendu; Golas, Avantika; Barnthip, Naris; Noh, Hyeran; Vogler, Erwin A.
2009-01-01
Silanized-glass-particle adsorbent capacities are extracted from adsorption isotherms of human serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa) for adsorbent surface energies sampling the observable range of water wettability. Adsorbent capacity expressed as either mass-or-moles per-unit-adsorbent-area increases with protein molecular weight (MW) in a manner that is quantitatively inconsistent with the idea that proteins adsorb as a monolayer at the solution-material interface in any physically-realizable configuration or state of denaturation. Capacity decreases monotonically with increasing adsorbent hydrophilicity to the limit-of-detection (LOD) near τo = 30 dyne/cm (θ~65o) for all protein/surface combinations studied (where τo≡γlvocosθ is the water adhesion tension, γlvo is the interfacial tension of pure-buffer solution, and θ is the buffer advancing contact angle). Experimental evidence thus shows that adsorbent capacity depends on both adsorbent surface energy and adsorbate size. Comparison of theory to experiment implies that proteins do not adsorb onto a two-dimensional (2D) interfacial plane as frequently depicted in the literature but rather partition from solution into a three-dimensional (3D) interphase region that separates the physical surface from bulk solution. This interphase has a finite volume related to the dimensions of hydrated protein in the adsorbed state (defining “layer” thickness). The interphase can be comprised of a number of adsorbed-protein layers depending on the solution concentration in which adsorbent is immersed, molecular volume of the adsorbing protein (proportional to MW), and adsorbent hydrophilicity. Multilayer adsorption accounts for adsorbent capacity over-and-above monolayer and is inconsistent with the idea that protein adsorbs to surfaces primarily through protein/surface interactions because proteins within second (or higher
Enhanced Arsenate Removal Performance in Aqueous Solution by Yttrium-Based Adsorbents
Lee, Sang-Ho; Kim, Kyoung-Woong; Lee, Byung-Tae; Bang, Sunbaek; Kim, Hyunseok; Kang, Hyorang; Jang, Am
2015-01-01
Arsenic contamination in drinking water has become an increasingly important issue due to its high toxicity to humans. The present study focuses on the development of the yttrium-based adsorbents, with basic yttrium carbonate (BYC), Ti-loaded basic yttrium carbonate (Ti-loaded BYC) and yttrium hydroxide prepared using a co-precipitation method. The Langmuir isotherm results confirmed the maximum adsorption capacity of Ti-loaded BYC (348.5 mg/g) was 25% higher than either BYC (289.6 mg/g) or yttrium hydroxide (206.5 mg/g) due to its increased specific surface area (82 m2/g) and surface charge (PZC: 8.4). Pseudo first- and second-order kinetic models further confirmed that the arsenate removal rate of Ti-loaded BYC was faster than for BYC and yttrium hydroxide. It was subsequently posited that the dominant removal mechanism of BYC and Ti-loaded BYC was the carbonate-arsenate ion exchange process, whereas yttrium hydroxide was regarded to be a co-precipitation process. The Ti-loaded BYC also displayed the highest adsorption affinity for a wide pH range (3–11) and in the presence of coexisting anionic species such as phosphate, silicate, and bicarbonate. Therefore, it is expected that Ti-loaded BYC can be used as an effective and practical adsorbent for arsenate remediation in drinking water. PMID:26516879
Enhanced Arsenate Removal Performance in Aqueous Solution by Yttrium-Based Adsorbents.
Lee, Sang-Ho; Kim, Kyoung-Woong; Lee, Byung-Tae; Bang, Sunbaek; Kim, Hyunseok; Kang, Hyorang; Jang, Am
2015-10-01
Arsenic contamination in drinking water has become an increasingly important issue due to its high toxicity to humans. The present study focuses on the development of the yttrium-based adsorbents, with basic yttrium carbonate (BYC), Ti-loaded basic yttrium carbonate (Ti-loaded BYC) and yttrium hydroxide prepared using a co-precipitation method. The Langmuir isotherm results confirmed the maximum adsorption capacity of Ti-loaded BYC (348.5 mg/g) was 25% higher than either BYC (289.6 mg/g) or yttrium hydroxide (206.5 mg/g) due to its increased specific surface area (82 m²/g) and surface charge (PZC: 8.4). Pseudo first- and second-order kinetic models further confirmed that the arsenate removal rate of Ti-loaded BYC was faster than for BYC and yttrium hydroxide. It was subsequently posited that the dominant removal mechanism of BYC and Ti-loaded BYC was the carbonate-arsenate ion exchange process, whereas yttrium hydroxide was regarded to be a co-precipitation process. The Ti-loaded BYC also displayed the highest adsorption affinity for a wide pH range (3-11) and in the presence of coexisting anionic species such as phosphate, silicate, and bicarbonate. Therefore, it is expected that Ti-loaded BYC can be used as an effective and practical adsorbent for arsenate remediation in drinking water. PMID:26516879
On the theory of ionic solutions.
Olivares, W; McQuarrie, D A
1975-02-01
One of the purposes of this paper is to assess the degree of applicability of the nonlinear Poisson-Boltzmann equation. In order to do this we compare the thermodynamic properties calculated through this equation with Monte Carlo data on 1-1 and 2-2 electrolytes described by the restricted primitive model, in which the ions are modeled by hard spheres with a coulombic potential and the solvent is modeled as a continuum dielectric medium of uniform dielectric constant epsilon. We choose Monte Carlo data rather than real experimental data since all parameters are completely specified and there is no liberty for "adjustment." Thus this serves as a definitive test. In addition, we present a simple but numerically accurate alternative approximation scheme which is not only numerically superior to the Poisson-Boltzmann equation but avoids the necessity of solving a nonlinear partial differential equation which is approximate in the first place. The new approximation scheme that is presented here is suggested by recent developments in the statistical mechanical theories of ionic solutions which are reviewed in the Introduction. Although these theories themselves yield exceedingly good comparison with experimental (Monte Carlo) data, they involve fairly advanced theoretical and mathematical techniques and do not appear to be readily solvable for other than very simple geometries. The two approximations suggested here require only the solution of the linear Debye-Hückel equation, which has been solved for a variety of systems. These two approximations are simple to apply and yield good thermodynamic properties up to concentrations of 2 M for the restricted primitive model. In addition, they have a sound theoretical foundation and are offered as a substitute for the difficult-to-solve nonlinear Poisson-Boltzmann equation. PMID:1111632
Liu, Junsheng; Ma, Yue; Zhang, Yaping; Shao, Guoquan
2010-01-15
Using zwitterionic hybrid polymers as adsorbent, the adsorption kinetics and isotherm, thermodynamic parameters of Delta G, Delta H and DeltaS for the removal of Pb(2+) from aqueous solution were investigated. It is indicated that the adsorption of Pb(2+) ions on these zwitterionic hybrid polymers followed the Lagergren second-order kinetic model and Freundlich isotherm model, demonstrating that the adsorption process might be Langmuir monolayer adsorption. The negative values of Delta G and the positive values of Delta H evidence that Pb(2+) adsorption on these zwitterionic hybrid polymers is spontaneous and endothermic process in nature. Moreover, the zwitterionic hybrid polymers produced reveal relatively higher desorption efficiency in 2 mol dm(-3) aqueous HNO(3) solution, indicating that they can be recycled in industrial processes. These findings suggest that these zwitterionic hybrid polymers are the promising adsorbents for Pb(2+) removal and can be potentially applied in the separation and recovery of Pb(2+) ions from the waste chemicals and contaminated water of lead-acid rechargeable battery. PMID:19744785
Strong sample solvent and viscous fingering effects on the dynamics of adsorbed solutes
NASA Astrophysics Data System (ADS)
Rana, Chinar; de Wit, Anne; Martin, Michel; Mishra, Manoranjan
2013-11-01
The pressure driven displacement flow in a porous medium with viscosity increasing in the direction of the flow leads to viscous fingering of the rear interface of finite samples. Sample solvent effects exist if the adsorption constant of solutes on the porous matrix depends on the solvent composition. A sample solvent stronger than the displacing fluid then leads to spatially variable retention of the solute initially dissolved in the sample. We investigate here the influence of these two effects, variable retention and viscosity contrast, on the dynamics of the solute. The continuity equation and Darcy's law coupled to convection-diffusion equations for the evolution of the sample and solute concentration are solved numerically to analyze the above phenomena. The sample viscosity and solute retention are assumed to depend exponentially on the concentration of a solute initially contained in the sample. The results demonstrate the development of two solute concentration zones, one of them being affected by the viscous fingering pattern. The effect of the fingering instability on the retained solute zone increases with an increase in the strength of the sample solvent. This, in turn, increases the spreading zone of the solute and delays the disengagement of the solute from the sample zone.
Prediction of capacity factors for aqueous organic solutes adsorbed on a porous acrylic resin
Thurman, E.M.
1978-01-01
The capacity factors of 20 aromatic, allphatic, and allcycllc organic solutes with carboxyl, hydroxyl, amine, and methyl functional groups were determined on Amberlite XAD-8, a porous acrylic resin. The logarithm of the capacity factor, k???, correlated inversely with the logarithm of the aqueous molar solubility with significance of less than 0.001. The log k???-log solubility relationship may be used to predict the capacity of any organic solute for XAD-8 using only the solubility of the solute. The prediction is useful as a guide for determining the proper ratio of sample to column size In the preconcentration of organic solutes from water. The inverse relationship of solubility and capacity is due to the unfavorable entropy of solution of organic solutes which affects both solubility and sorption.
Moreno-Piraján, Juan Carlos; Blanco, Diego; Giraldo, Liliana
2012-01-01
An activated carbon, CarbochemTM—PS230, was modified by chemical and thermal treatment in flow of H2, in order to evaluate the influence of the activated carbon chemical characteristics in the adsorption of the catechol. The catechol adsorption in aqueous solution was studied along with the effect of the pH solution in the adsorption process of modified activated carbons and the variation of immersion enthalpy of activated carbons in the aqueous solutions of catechol. The interaction solid-solution is characterized by adsorption isotherms analysis, at 298 K and pH 7, 9 and 11 in order to evaluate the adsorption value above and below that of the catechol pKa. The adsorption capacity of carbons increases when the solution pH decreases. The retained amount increases slightly in the reduced carbon to maximum adsorption pH and diminishes in the oxidized carbon. Similar conclusions are obtained from the immersion enthalpies, whose values increase with the solute quantity retained. In granular activated carbon (CAG), the immersion enthalpies obtained are between 21.5 and 45.7 J·g−1 for catechol aqueous solutions in a range of 20 at 1500 mg·L−1. PMID:22312237
NASA Astrophysics Data System (ADS)
Simkovitch, R.; Akulov, K.; Erez, Y.; Amdursky, N.; Gepshtein, R.; Schwartz, T.; Huppert, D.
2015-09-01
Steady-state and time-resolved UV-Vis spectroscopy techniques were employed to study the non-radiative process of Auramine-O (AuO). We focused our attention on the ultrafast nonradiative decay of Auramine-O in water and on the acid effect on Auramine-O spectroscopy. We found that weak acids like formic acid shorten the excited-state decay times of both the emission and the transient pump-probe spectra of Auramine-O. We found three time domains in the relaxation of the excited states back to the ground state. In mixtures of acetic and formic acids, the three decay times associated with the relaxation process are shorter in the presence of formic acid in Auramine-O solutions. We qualitatively explain the very large non-radiative rate in water and in formic-acetic acid mixtures by a protic nonradiative model proposed by Sobolewski and Domcke. The steady-state emission spectrum of AuO adsorbed on insulin fibrils consists of two bands assigned to protonated and deprotonated forms and the emission intensity increases by three orders of magnitude. We conclude that the nonradiative process prevails in the liquid state, whereas when AuO is adsorbed on fibrils the nonradiative rate is reduced by three orders of magnitude and thus enables a slow ESPT process to occur.
Liu, Qi; Zhu, Jiahui; Tan, Lichao; Jing, Xiaoyan; Liu, Jingyuan; Song, Dalei; Zhang, Hongsen; Li, Rumin; Emelchenko, G A; Wang, Jun
2016-05-31
A novel rod-like, dual-shell structural adsorbent of polypyrrole/cobalt ferrite/multiwalled carbon nanotubes (PPy/CoFe2O4/MWCNTs) was successfully synthesized by a hydrothermal method, which could easily separate uranium(vi) ions with an external magnetic field. The structure and morphology of PPy/CoFe2O4/MWCNTs were characterized by VSM, XRD, XPS TEM and FT-IR. The results proved that the dual-shell structure was obtained in which a shell of cobalt ferrite and polypyrrole formed around the MWCNTs core. In batch adsorption experiments, including pH, equilibrium time and temperature on uranium adsorption, were investigated. The main results show that the PPy/CoFe2O4/MWCNTs composite has a higher affinity towards the uptake of uranium(vi) from aqueous solutions. The highest adsorption capacity reached was 148.8 mg U per g at pH 7. A kinetic analysis showed that the adsorption process was best described by a pseudo-second-order kinetic model. The uranium sorption equilibrium data correlated well with the Langmuir sorption isotherm model in the thermodynamic analysis. 0.5 mol per L NaHCO3 was used as the desorbent and good adsorption properties were shown after the desorption procedures were repeated three times. Thus, PPy/CoFe2O4/MWCNTs was an excellent adsorbent for removing uranium(vi) ions. PMID:27169495
Zielinski, Michal W; McGann, Locksley E; Nychka, John A; Elliott, Janet A W
2014-10-01
Thermodynamic solution theories allow the prediction of chemical potentials in solutions of known composition. In cryobiology, such models are a critical component of many mathematical models that are used to simulate the biophysical processes occurring in cells and tissues during cryopreservation. A number of solution theories, both thermodynamically ideal and non-ideal, have been proposed for use with cryobiological solutions. In this work, we have evaluated two non-ideal solution theories for predicting water chemical potential (i.e. osmolality) in multi-solute solutions relevant to cryobiology: the Elliott et al. form of the multi-solute osmotic virial equation, and the Kleinhans and Mazur freezing point summation model. These two solution theories require fitting to only single-solute data, although they can make predictions in multi-solute solutions. The predictions of these non-ideal solution theories were compared to predictions made using ideal dilute assumptions and to available literature multi-solute experimental osmometric data. A single, consistent set of literature single-solute solution data was used to fit for the required solute-specific coefficients for each of the non-ideal models. Our results indicate that the two non-ideal solution theories have similar overall performance, and both give more accurate predictions than ideal models. These results can be used to select between the non-ideal models for a specific multi-solute solution, and the updated coefficients provided in this work can be used to make the desired predictions. PMID:25158101
NASA Astrophysics Data System (ADS)
Müller, Moritz; Diller, Katharina; Maurer, Reinhard J.; Reuter, Karsten
2016-01-01
We employ dispersion-corrected density-functional theory to study the adsorption of tetrapyrrole 2H-porphine (2H-P) at Cu(111) and Ag(111). Various contributions to adsorbate-substrate and adsorbate-adsorbate interactions are systematically extracted to analyze the self-assembly behavior of this basic building block to porphyrin-based metal-organic nanostructures. This analysis reveals a surprising importance of substrate-mediated van der Waals interactions between 2H-P molecules, in contrast to negligible direct dispersive interactions. The resulting net repulsive interactions rationalize the experimentally observed tendency for single molecule adsorption.
Müller, Moritz; Diller, Katharina; Maurer, Reinhard J; Reuter, Karsten
2016-01-14
We employ dispersion-corrected density-functional theory to study the adsorption of tetrapyrrole 2H-porphine (2H-P) at Cu(111) and Ag(111). Various contributions to adsorbate-substrate and adsorbate-adsorbate interactions are systematically extracted to analyze the self-assembly behavior of this basic building block to porphyrin-based metal-organic nanostructures. This analysis reveals a surprising importance of substrate-mediated van der Waals interactions between 2H-P molecules, in contrast to negligible direct dispersive interactions. The resulting net repulsive interactions rationalize the experimentally observed tendency for single molecule adsorption. PMID:26772581
Linhares, Bruno; Weber, Caroline Trevisan; Foletto, Edson Luiz; Paz, Diego Silva; Mazutti, Marcio A; Collazzo, Gabriela Carvalho
2013-01-01
Activated carbon prepared from yerba mate (Ilex paraguariensis) was used as adsorbent for the removal of tannery dye from aqueous solution. The activated carbon was characterized, and it showed a mesoporous texture, with surface area of 537.4 m2 g(-1). The initial dye concentration, contact time and pH influenced the adsorption capacity. The equilibrium data were in good agreement with both Langmuir and Freundlich isotherms. The adsorption kinetics of the tannery dye on activated carbon prepared from yerba mate followed a pseudo-second-order model. The adsorption process was found to be controlled by both external mass-transfer and intraparticle diffusion, but the external diffusion was the dominating process. This work highlights the potential application of activated carbon produced from yerba mate in the field of adsorption. PMID:24350496
Bhaumik, Madhumita; Agarwal, Shilpi; Gupta, Vinod Kumar; Maity, Arjun
2016-05-15
Polypyrrole wrapped oxidized multiwalled carbon nanotubes nanocomposites (PPy/OMWCNTs NCs) were prepared via in situ chemical polymerization of pyrrole (Py) monomer in the presence of OMWCNTs using FeCl3 as oxidant for the effective removal of hexavalent chromium [Cr(VI)]. The as-prepared PPy/OMWCNTs NCs were characterized by FE-SEM, HR-TEM, ATR-FTIR, XRD, XPS and BET method. Characterization results suggested that PPy was uniformly covered on the OMWCNTs surface and resulted in enhanced specific surface area. Adsorption experiments were carried out in batch sorption mode to investigate the effect of pH, dose of adsorbent, contact time, concentration of Cr(VI) and temperature. The adsorption of Cr(VI) on the nanocomposite surface was highly pH dependent and the kinetics of the adsorption followed the pseudo-second-order model. The adsorption isotherm data were in good conformity with the Langmuir isothermal model. The maximum adsorption capacity of the PPy/OMWCNTs NCs for Cr(VI) was 294mg/g at 25°C. The calculated values of the thermodynamic parameters such as ΔG(0) (-0.237kJ/mol), ΔH(0) (13.237kJ/mol) and ΔS(0) (0.0452kJ/mol/K) revealed that the adsorption process is spontaneous, endothermic and marked with an increase in randomness at the solid-liquid interface. The presence of co-existing ions slightly affected the Cr(VI) removal efficiency of the PPy/OMWCNTs. PMID:26962976
Liu, Si Si; Chen, Yong Zhou; De Zhang, Li; Hua, Guo Min; Xu, Wei; Li, Nian; Zhang, Ye
2011-06-15
Titanium oxide-Ag composite (TOAC) adsorbents were prepared by a facile solution route with Ag nanoparticles being homogeneously dispersed on layered titanium oxide materials. The as-synthesized TOAC exhibited a remarkable capability for trace Cr(VI) removal from an aqueous solution, where the concentration of Cr(VI) could be decreased to a level below 0.05 mg/L within 1h. We have systematically investigated the factors that influenced the adsorption of Cr(VI), for example, the pH value of the solution, and the contact time of TOAC with Cr(VI). We found that the adsorption of Cr(VI) was strongly pH-dependent. The adsorption behavior of Cr(VI) onto TOAC fitted well the Langmuir isotherm and a maximum adsorption capacity of Cr(VI) as 25.7 mg/g was achieved. The adsorption process followed the pseudo-second-order kinetic model, which implied that the adsorption was composed of two steps: the adsorption of Cr(VI) ions onto TOAC followed by the reduction of Cr(VI) to Cr(III) by Ag nanoparticles. Our results revealed that TOAC with high capacity of Cr(VI) removal had promising potential for wastewater treatment. PMID:21514991
Synthesis of magnetic adsorbents for the removal of Hg(II) from aqueous solutions
NASA Astrophysics Data System (ADS)
Isari, Ekavi C.; Karapanagioti, Hrissi K.; Manariotis, Ioannis D.; Werner, David
2014-05-01
Activated carbon (AC) is known to adsorb aqueous Hg (II). AC acts as a strong binding agent that lowers the pollutant concentration and thus, its toxicity. Another promising material in environmental applications such as metal removal is biochar (BC), which is obtained from the incomplete combustion of carbon-rich biomass under oxygen-limited conditions. A draw back of this method is that although the pollutant will be non- bioavailable for many years into sorbents, it actually remains into the system. The objective of this study was (a) to synthesize a magnetic powdered activated carbon (AC/Fe) and magnetic powdered biochar (BC/Fe) produced from commercial AC (AC1 and AC2), and biochar respectively, and (b) to evaluate the potential use of AC/Fe and BC/Fe to remove aqueous Hg(II) while being magnetically recoverable. The biochar was produced from olive seeds. The surface area, the pore volume, and the average pore size of each sorbent were determined using gas (N2) adsorption-desorption cycles and the Brunauer, Emmett, and Teller (BET) equation. Isotherms with 30 adsorption and 20 desorption points were conducted at liquid nitrogen temperature (77K). Open surface area and micropore volume were determined using t-plot method and Harkins & Jura equation. Surface area measurements resulted in values of 640 and 790 m2/g for AC1 and AC2 samples and 433 and 517 m2/g for AC1/Fe and AC2/Fe samples, respectively. The surface area BC and BC/Fe was 390 m2/g and 320 m2/g, respectively. Batch experiments with all sorbents were conducted at room temperature (25oC), at pH 5, and various initial Hg(II) concentrations, in order to compare the sorption properties of the materials. Based on the isotherm data, AC/Fe and BC/Fe seem to be effective sorbents demonstrating lower sorption capacities ranging from 50 to 75% of those of the initial materials. All these properties point to promising materials that can be effectively used for in-situ environmental remediation.
Fundamental string solutions in open string field theories
Michishita, Yoji
2006-02-15
In Witten's open cubic bosonic string field theory and Berkovits' superstring field theory we investigate solutions of the equations of motion with appropriate source terms, which correspond to Callan-Maldacena solution in Born-Infeld theory representing fundamental strings ending on the D-branes. The solutions are given in order by order manner, and we show some full order properties in the sense of {alpha}{sup '} expansion. In superstring case we show that the solution is 1/2 BPS in full order.
Petrović, Jelena T; Stojanović, Mirjana D; Milojković, Jelena V; Petrović, Marija S; Šoštarić, Tatjana D; Laušević, Mila D; Mihajlović, Marija L
2016-11-01
Hydrochar produced via hydrothermal carbonization of grape pomace was considered as novel sorbent of Pb(2+) from aqueous solution. In order to enhance the adsorption capacity, hydrochar was chemically modified using 2 M KOH solution. Both materials were characterized by Fourier transform infrared spectroscopy, scanning electron microscopy and X-ray diffraction technique. Batch experiments were performed to examine the effect of sorbent dosage, pH and contact time. Obtained results showed that the KOH treatment increased the sorption capacity of hydrochar from 27.8 mg g(-1) up to 137 mg g(-1) at pH 5. Adsorption of lead on either of the materials was achieved through ion-exchange mechanism, chemisorption and Pb(2+)-π interaction. The Sips isotherm model gave the best fit with the experimental data obtained for Pb(2+) sorption using activated hydrochar. The adsorption kinetic followed a pseudo second-order model. Thermodynamic parameters implied that the Pb(2+) binding for hydrochar surface was spontaneous and exothermic process. Findings from this work suggest that the hydrothermal carbonization is a promising route for production of efficient Pb (2+) sorbents for wastewater treatment. PMID:27494605
Bhaumik, Madhumita; McCrindle, Rob I; Maity, Arjun; Agarwal, Shilpi; Gupta, Vinod Kumar
2016-03-15
Polyaniline nanofibers (PANI NFs) with 50-80 nm in diameter were successfully prepared at room temperature (22 °C) using ferric chloride (FeCl3) as an oxidant via a simple rapid mixing polymerization method. The prepared PANI NFs were characterized by FE-SEM, HR-TEM, BET, ATR-FTIR and by Zeta potential measurement method. The adsorption of azo dye Reactive Black 5 (RB5) onto PANI NFs from aqueous solutions was investigated. Adsorption studies were carried out at different initial dye concentrations, initial solution pH and adsorbent doses. The kinetic data fitted well with the pseudo-second-order model while the equilibrium data were satisfactorily described by the Langmuir isotherm model. The Langmuir maximum adsorption capacity of RB5 at pH 6.0 was found to be 312.5, 389.1 and 434.7 mg/g at 25 °C, 35 °C and 45 °C, respectively. Thermodynamic parameters including the Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) changes indicated that the adsorption of RB5 onto PANI NFs was feasible, spontaneous, and endothermic. Moreover, desorption experiments revealed that the PANI NFs can be reused effectively for five consecutive adsorption-desorption cycles without any loss of its original capacity. PMID:26771507
Study of Hg(II) species removal from aqueous solution using hybrid ZnCl2-MCM-41 adsorbent
NASA Astrophysics Data System (ADS)
Raji, F.; Pakizeh, M.
2013-10-01
A novel ZnCl2-MCM-41 adsorbent was prepared by method of solvent dispersion in toluene and characterized using XRD, N2 adsorption-desorption, FTIR and TGA techniques. The synthesized ZnCl2-MCM-41 sorbent possessed high specific surface area (602.3 m2 g-1), narrow pore size distribution (2.37 nm) and total pore volume (0.46 cm3 g-1). The hybrid sorbent was applied for the removal of Hg(II) from aqueous solution under different experimental conditions by varying contact time, initial concentration of Hg(II), pH, presence of interfering ions and solution temperature. It was found that amount of Hg(II) sorption increased with enhancement of Hg(II) initial concentration, contact time and pH but decreased as the temperature increased. Optimum conditions obtained were 20 °C, pH 10 and contact time of 30 min. Effects of foreign anions and cations on Hg(II) removal were studied and it was found that chloride ion affected strongly on adsorption. For experimental data the Langmuir isotherm showed a better fit and maximum adsorption capacity was obtained 204.1 mg g-1 for an initial concentration range 2-50 mg L-1. From the D-R isotherm, the mean free energy was calculated as 9.128 kJ mol-1 indicating that the sorption of Hg(II) was taken place by chemical reaction.
Liang, Xuanqi; Gondal, Mohammed A; Chang, Xiaofeng; Yamani, Zain H; Li, Nianwu; Lu, Hongling; Ji, Guangbin
2011-01-01
The main aim of this study was to synthesize magnetic separable Nickel/powdered activated carbon (Ni/PAC) and its application as an adsorbent for removal of PFOS from aqueous solution. In this work, the synthesized adsorbent using simple method was characterized by using X-ray diffractionometer (XRD), surface area and pore size analyzer, vibrating sample magnetometer (VSM), and high resolution transmission electron microscope (HRTEM). The surface area, pore volume and pore size of synthesized PAC was 1521.8 m(2)g(-1), 0.96 cm(3)g(-1), 2.54 nm, respectively. Different kinetic models: the pseudo-first-order model, the pseudo-second-order model, and three adsorption isotherms--Langmuir, Freundlich and Temkin--were applied to study the sorption kinetics and isothermal behavior of PFOS onto the surface of an as-prepared adsorbent. The rate constant using the pseudo-second-order model for removal of 150 ppm PFOS was estimated as 8.82×10(-5) and 1.64×10(-4) for PAC and 40% Ni/PAC, respectively. Our results demonstrated that the composite adsorbents exhibited a clear magnetic hysteretic behavior, indicating the potential practical application in magnetic separation of adsorbents from aqueous solution phase as well. PMID:21961696
Magnetic adsorbents for the removal of Hg (II) and phenanthrene from aqueous solutions
NASA Astrophysics Data System (ADS)
Isari, Ekavi; Karapanagioti, Hrissi K.; Manariotis, Ioannis D.; Werner, David
2015-04-01
Activated carbon (AC) acts as a strong binding agent that lowers the pollutant concentration and, thus its toxicity. Another promising sorbent material in environmental applications is biochar (BC) which is obtained from the incomplete combustion of carbon-rich biomass under oxygen-limited conditions. Both of these materials could be used as soil or sediment amendments that would lower the toxicity in the aqueous phase. A draw back of this technique is that although the pollutant will remain non- bioavailable for many years being sorbed into these sorbents, it actually stays into the system. The objective of this study was (a) to synthesize a magnetic powdered activated carbon (AC/Fe) and magnetic powdered biochar (BC/Fe) produced from commercial AC1 and AC2 samples and biochar respectively and (b) to evaluate the potential use of AC/Fe and BIO/Fe to remove aqueous Hg (II) or phenanthrene while being magnetically recoverable. The BC was produced from olive pomace. The surface area, the pore volume, and the average pore size of each sorbent were determined using gas (N2) adsorption-desorption cycles and the Brunauer, Emmett, and Teller (BET) equation. Isotherms with 30 adsorption and 20 desorption points were conducted at liquid nitrogen temperature (77K). Open surface area and micropore volume were determined using t-plot method and Harkins & Jura equation. For both AC/Fe, surface area measurements resulted in 66% those of corresponding AC. For BC/Fe, the surface area was 82% that of BC. Batch experiments with all sorbent samples and mercury solutions were conducted at room temperature (25oC) and at pH 5 in order to compare the sorption properties of the materials. Similar tests were performed with phenanthrene solutions. Based on mercury isotherm data, AC/Fe and BC/Fe are effective sorbents but with lower sorption capacity compared to the initial materials (50-75% lower). All these properties point to promising materials that can effectively be used for in
Solid / solution interaction: The effect of carbonate alkalinity on adsorbed thorium
NASA Astrophysics Data System (ADS)
LaFlamme, Brian D.; Murray, James W.
1987-02-01
Elevated activities of dissolved Th have been found in Soap Lake, an alkaline lake in Eastern Washington. Dissolved 232Th ranges from less than 0.001 to 4.9 dpm/L compared to about 1.3 × 10 -5 dpm/ L in sea water. The enhanced activity in the lake coincides with an increase in carbonate alkalinity. Experiments were conducted to evaluate the effect of pH, ionic strength and carbonate alkalinity on Th adsorption on goethite. Thorium (10 -13 M total) in the presence of 5.22 mg/L α-FeOOH and 0.1 M NaNO 3 has an adsorption edge from pH 2-5. At pH 9.0 ± 0.6 the percent Th absorbed on the solid began to decrease from 100% at 100 meq/L carbonate alkalinity and exhibited no adsorption above 300 meq/L. The experimental data were modeled to obtain the intrinsic adsorption equilibrium constants for Th hydrolysis species. These adsorption constants were incorporated in the model to interpret the observed effect of carbonate alkalinity on Th adsorption. There are two main effects of the alkalinity. To a significant degree the decrease in Th adsorption is due to competition of HCO -3 and CO 2-3 ions for surface sites. Dissolved Th carbonate complexes also contribute to the increase of Th in solution.
Prediction of the speciation of alkaline earths adsorbed on mineral surfaces in salt solutions
NASA Astrophysics Data System (ADS)
Sverjensky, Dimitri A.
2006-05-01
Despite the fact that the bulk compositions of most low temperature natural surface waters, groundwaters, and porewaters are heavily influenced by alkaline earths, an understanding of the development of proton surface charge in the presence of alkaline earth adsorption on the surfaces of minerals is lacking. In particular, models of speciation at the mineral-water interface in systems involving alkaline earths need to be established for a range of different minerals. In the present study, X-ray standing wave results for Sr 2+ adsorption on rutile as a tetranuclear complex [Fenter, P., Cheng, L., Rihs, S., Machesky, M., Bedyzk, M.D., Sturchio, N.C., 2000. Electrical double-layer structure at the rutile-water interface as observed in situ with small-period X-ray standing waves. J. Colloid Interface Sci.225, 154-165] are used as constraints for all the alkaline earths in surface complexation simulations of proton surface charge, metal adsorption, and electrokinetic experiments referring to wide ranges of pH, ionic strength, surface coverage, and type of oxide. The tetranuclear reaction 4>SOH+M+H2O=(>SOH)2(>SO-)2_M(OH)++3H+ predominates for the large cations Sr 2+ and Ba 2+ (and presumably Ra 2+), consistent with X-ray results. In contrast, the mononuclear reaction >SOH+M+H2O=>SO-_M(OH)++2H+ predominates for the much smaller Mg 2+ (and presumably Be 2+), with minor amounts of the tetranuclear reaction. Both reaction types appear to be important for the intermediate size Ca 2+. For all the alkaline earths on all oxides, the proportions of the different reaction types vary systematically as a function of pH, ionic strength, and surface coverage. The application of Born solvation and crystal-chemical theory enables estimation of the equilibrium constants of adsorption of all the alkaline earths on all oxides. On high dielectric constant solids (rutile, magnetite, manganese dioxide), where the solvation contribution is negligable, ion adsorption correlates with crystal
M Theory Solution to the Hierarchy Problem
Acharya, Bobby; Bobkov, Konstantin; Kane, Gordon; Kumar, Piyush; Vaman, Diana
2006-11-10
An old idea for explaining the hierarchy is strong gauge dynamics. We show that such dynamics also stabilizes the moduli in M theory compactifications on manifolds of G{sub 2} holonomy without fluxes. This gives stable vacua with softly broken supersymmetry, grand unification, and a distinctive spectrum of TeV and sub-TeV sparticle masses.
Zheng, Ru; Zhao, Jiaying; Ma, Fang; Zhang, Yingchao; Meng, Qingjuan
2014-01-01
Rice husk, a surplus agricultural byproduct, was applied to the sorption of copper from aqueous solutions. Chemical modifications by treating rice husk with H3PO4 increased the sorption ability of rice husk for Cu(II). This work investigated the sorption characteristics for Cu(II) and examined the optimum conditions of the sorption processes. The elemental compositions of native rice husk and H3PO4-treated rice husk were determined by X-ray fluorescence (XRF) analysis. The scanning electron microscopic (SEM) analysis was carried out for structural and morphological characteristics of H3PO4-treated rice husk. The surface functional groups (i.e., carbonyl, carboxyl, and hydroxyl) of adsorbent were examined by Fourier Transform Infrared Technique (FT-IR) and contributed to the adsorption for Cu(II). Adsorption isotherm experiments were carried out at room temperature and the data obtained from batch studies fitted well with the Langmuir and Freundlich models with R2 of 0.999 and 0.9303, respectively. The maximum sorption amount was 17.0358 mg/g at a dosage of 2 g/L after 180 min. The results showed that optimum pH was attained at pH 4.0. The equilibrium data was well represented by the pseudo-second-order kinetics. The percentage removal for Cu(II) approached equilibrium at 180 min with 88.9% removal. PMID:24678507
Xing, Min; Wang, Jianlong
2016-07-15
A magnetic graphene, i.e., nanoscaled zero valent iron/graphene (0FG) composite, was prepared, characterized and applied for the removal of Co(II) from aqueous solution. The magnetic graphene (0FG) was synthesized through reduction of graphene oxide (GO) and ferrous ions by potassium borohydride. The kinetics and isotherms of Co(II) adsorption onto 0FG were investigated. The mechanism for Co(II) removal was proposed based on the Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and the X-ray absorption fine structure (XAFS) analysis. The results showed that pseudo second-order models and the Freundlich isotherm model fitted well with the data obtained. The adsorption capacity of 0FG was calculated from the Langmuir isotherm, which was 65.58, 101.60 and 134.27mg/g at 10, 20 and 30°C, respectively. Thermodynamic parameters suggested that the adsorption process was endothermic and spontaneous. Co(2+) was stabilized by γ-FeOOH/γ-Fe2O3/Fe3O4 on the surface of graphene sheets, forming CoFe2O4-like nanocrystals. The coordination numbers and interatomic distances indicated that Co(2+) mainly occupied the octahedral site, while pseudo-tetrahedral coordination may occur by dehydroxylation of Co(O,OH)6. Magnetic graphene is a potential adsorbent for Co(2+) removal. PMID:27115333
Zhang, Li; Luo, Hanjin; Liu, Peipei; Fang, Wei; Geng, Junjie
2016-06-01
A novel adsorbent for removal of hexavalent chromium (Cr(VI)) from aqueous solutions has been successfully prepared by modifying graphene oxide/chitosan composite with disodium ethylenediaminetetraacetate (EDTA-2Na) (GEC). This modified composite was characterized by various technologies; including scanning electron microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR). Batch adsorption experiments were carried out to evaluate the adsorption of Cr(VI) by GEC under different conditions. The results indicate that the adsorption of Cr(VI) on GEC was highly pH-dependent, with the highest adsorption capacity (86.17mg/g) occurring at pH 2. The kinetics of adsorption exhibited pseudo-second-order behavior. The adsorption data were well described by the Freundlich isotherm model. The adsorption capacity increased with increasing temperature. The calculated thermodynamic parameters indicate that the adsorption is a spontaneous, endothermic and feasible process. The further regeneration experiments showed the adsorption capacity of GEC for Cr(VI) decreased 5% after 7 times reuse, indicating the potential of the as-prepared material for practical application. PMID:26993532
Stationary axially symmetric solutions in Brans-Dicke theory
NASA Astrophysics Data System (ADS)
Kirezli, Pınar; Delice, Özgür
2015-11-01
Stationary, axially symmetric Brans-Dicke-Maxwell solutions are reexamined in the framework of the Brans-Dicke (BD) theory. We see that, employing a particular parametrization of the standard axially symmetric metric simplifies the procedure of obtaining the Ernst equations for axially symmetric electrovacuum spacetimes for this theory. This analysis also permits us to construct a two parameter extension in both Jordan and Einstein frames of an old solution generating technique frequently used to construct axially symmetric solutions for BD theory from a seed solution of general relativity. As applications of this technique, several known and new solutions are constructed including a general axially symmetric BD-Maxwell solution of Plebanski-Demianski with vanishing cosmological constant, i.e., the Kinnersley solution and general magnetized Kerr-Newman-type solutions. Some physical properties and the circular motion of test particles for a particular subclass of Kinnersley solution, i.e., a Kerr-Newman-NUT-type solution for BD theory, are also investigated in some detail.
Abstract framework for the theory of statistical solutions
NASA Astrophysics Data System (ADS)
Bronzi, A. C.; Mondaini, C. F.; Rosa, R. M. S.
2016-06-01
An abstract framework for the theory of statistical solutions is developed for general evolution equations, extending the theory initially developed for the three-dimensional incompressible Navier-Stokes equations. The motivation for this concept is to model the evolution of uncertainties on the initial conditions for systems which have global solutions that are not known to be unique. Both concepts of statistical solution in trajectory space and in phase space are given, and the corresponding results of existence of statistical solution for the associated initial value problems are proved. The wide applicability of the theory is illustrated with the very incompressible Navier-Stokes equations, a reaction-diffusion equation, and a nonlinear wave equation, all displaying the property of global existence of weak solutions without a known result of global uniqueness.
Borck, Øyvind; Gunnarsson, Linda; Lydmark, Pär
2016-01-01
To increase public awareness of theoretical materials physics, a small group of high school students is invited to participate actively in a current research projects at Chalmers University of Technology. The Chalmers research group explores methods for filtrating hazardous and otherwise unwanted molecules from drinking water, for example by adsorption in active carbon filters. In this project, the students use graphene as an idealized model for active carbon, and estimate the energy of adsorption of the methylbenzene toluene on graphene with the help of the atomic-scale calculational method density functional theory. In this process the students develop an insight into applied quantum physics, a topic usually not taught at this educational level, and gain some experience with a couple of state-of-the-art calculational tools in materials research. PMID:27505418
NASA Astrophysics Data System (ADS)
Li, Ke Jing; Shao, Qing Yi; Zhang, Juan; Yao, Xin Hua
2016-07-01
Using density functional theory (DFT), we have investigated the stability and electronic structure of lithium (Li) adsorbed in triplet form of (5.0) carbon nanotubes (CNTs) and (5.0) boron nitrogen nanotubes (BNNTs). We have mainly found that three (5.0) tubes are covalently connected. The triplet form is an energetically stable semiconductor. Li atom can be chemically adsorbed in the triplet form of nanotubes (NTs). Meanwhile, upon the adsorption of Li, the triplet form convert into metal. Hence, the triplet form can improve reactivity and sensitivity of NTs to Li significantly.
Scaled-particle theory analysis of cylindrical cavities in solution.
Ashbaugh, Henry S
2015-04-01
The solvation of hard spherocylindrical solutes is analyzed within the context of scaled-particle theory, which takes the view that the free energy of solvating an empty cavitylike solute is equal to the pressure-volume work required to inflate a solute from nothing to the desired size and shape within the solvent. Based on our analysis, an end cap approximation is proposed to predict the solvation free energy as a function of the spherocylinder length from knowledge regarding only the solvent density in contact with a spherical solute. The framework developed is applied to extend Reiss's classic implementation of scaled-particle theory and a previously developed revised scaled-particle theory to spherocylindrical solutes. To test the theoretical descriptions developed, molecular simulations of the solvation of infinitely long cylindrical solutes are performed. In hard-sphere solvents classic scaled-particle theory is shown to provide a reasonably accurate description of the solvent contact correlation and resulting solvation free energy per unit length of cylinders, while the revised scaled-particle theory fitted to measured values of the contact correlation provides a quantitative free energy. Applied to the Lennard-Jones solvent at a state-point along the liquid-vapor coexistence curve, however, classic scaled-particle theory fails to correctly capture the dependence of the contact correlation. Revised scaled-particle theory, on the other hand, provides a quantitative description of cylinder solvation in the Lennard-Jones solvent with a fitted interfacial free energy in good agreement with that determined for purely spherical solutes. The breakdown of classical scaled-particle theory does not result from the failure of the end cap approximation, however, but is indicative of neglected higher-order curvature dependences on the solvation free energy. PMID:25974499
2012-01-01
Background This study evaluated the adsorption capacity of the natural materials chitin and oyster shell powder (OSP) in the removal of saxitoxin (STX) from water. Simplified reactors of adsorption were prepared containing 200 mg of adsorbents and known concentrations of STX in solutions with pH 5.0 or 7.0, and these solutions were incubated at 25°C with an orbital shaker at 200 RPM. The adsorption isotherms were evaluated within 48 hours, with the results indicating a decrease in STX concentrations in different solutions (2–16 μg/L). The kinetics of adsorption was evaluated at different contact times (0–4320 min) with a decrease in STX concentrations (initial concentration of 10 μg/L). The sampling fractions were filtered through a membrane (0.20 μm) and analyzed with high performance liquid chromatography to quantify the STX concentration remaining in solution. Results Chitin and OSP were found to be efficient adsorbents with a high capacity to remove STX from aqueous solutions within the concentration limits evaluated (> 50% over 18 h). The rate of STX removal for both adsorbents decreased with contact time, which was likely due to the saturation of the adsorbing sites and suggested that the adsorption occurred through ion exchange mechanisms. Our results also indicated that the adsorption equilibrium was influenced by pH and was not favored under acidic conditions. Conclusions The results of this study demonstrate the possibility of using these two materials in the treatment of drinking water contaminated with STX. The characteristics of chitin and OSP were consistent with the classical adsorption models of linear and Freundlich isotherms. Kinetic and thermodynamic evaluations revealed that the adsorption process was spontaneous (ΔGads < 0) and favorable and followed pseudo-second-order kinetics. PMID:22892158
Dotto, Guilherme Luiz; Meili, Lucas; de Souza Abud, Ana Karla; Tanabe, Eduardo Hiromitsu; Bertuol, Daniel Assumpção; Foletto, Edson Luiz
2016-01-01
This research was performed to find an alternative, low-cost, competitive, locally available and efficient adsorbent to treat nickel (Ni) containing effluents. For this purpose, several Brazilian agro-wastes like sugarcane bagasse (SCB), passion fruit wastes (PFW), orange peel (OP) and pineapple peel (PP) were compared with an activated carbon (AC). The adsorbents were characterized. Effects of fundamental factors affecting the adsorption were investigated using batch tests. Kinetic and equilibrium studies were performed using conventional models. It was verified that the adsorption was favored at pH of 6.0 for all agro-wastes, being dependent of the Ni speciation, point of zero charge and surface area of the adsorbents. The Ni removal percentage was in the following order: SCB > OP > AC > PFW > PP. From the kinetic viewpoint, the Elovich model was appropriate to fit the Ni adsorption onto SCB, while for the other adsorbents, the pseudo-first-order model was the most suitable. For all adsorbents, the Langmuir model was the more adequate to represent the equilibrium data, being the maximum adsorption capacities of 64.1 mg g(-1), 60.7 mg g(-1), 63.1 mg g(-1), 48.1 mg g(-1) and 64.3 mg g(-1) for SCB, PFW, OP, PP and AC, respectively. These results indicated that mainly SCB and OP can be used as alternative adsorbents to treat Ni containing effluents. PMID:27232408
Ricci, Marilena; Platania, Elena; Lofrumento, Cristiana; Castellucci, Emilio M; Becucci, Maurizio
2016-07-14
The properties of o-Safranin (SO) dye in the first electronic excited state were studied with combined experimental and theoretical methods. The electronic absorption spectra of SO molecules are measured in water solution and in the presence of silver nanoparticles. The normal Raman (NRS) and resonance Raman (RR) spectra of solid SO and the surface enhanced Raman (SERS) and surface enhanced resonance Raman (SE[R]RS) spectra of SO adsorbed on silver nanoparticles are measured at different excitation energies. The enhancement factors for selected vibrational bands of the RR, SERS, and SE[R]RS spectra of SO have been obtained with respect to the NRS spectra of the solid after a careful evaluation of the experimental conditions. The data furnished useful information on the excited electronic states and the interactions of SO with silver nanoparticles. The experimental results are discussed on the basis of DFT and TD-DFT calculations (B3LYP/6-311+G(d,p)) on the isolated SO molecule. PMID:27139691
NASA Astrophysics Data System (ADS)
Ajenifuja, E.; Ajao, J. A.; Ajayi, E. O. B.
2016-03-01
Photocatalytic ceramic adsorbents were prepared from locally sourced kaolinite clay minerals for the removal of copper and cobalt ions from high concentration aqueous solutions. The minerals were treated with mild acid before modification using silver nanoparticles sources and titanium-oxide nanoparticles. Batch adsorption experiment was carried out on the targeted ions and the results were analyzed by Langmuir and Freundlich equation at different concentrations (100-1000 mg/l). As-received raw materials do not exhibit any adsorption capacity. However, the adsorption isotherms for modified kaolinite clay ceramic adsorbents could be fitted well by the Langmuir model for Cu2+ and Co2+ with correlation coefficient (R) of up to 0.99705. The highest and lowest monolayer coverage (q max) were 93.023 and 30.497 mg/g for Cu2+ and Co2+, respectively. The separation factor (R L ) was less than one (<1), indicating that the adsorption of metal ions on modified ceramic adsorbent is favorable. The highest adsorbent adsorption capacity (K f ) and intensity (n) constants obtained from Freundlich model are 14.401 (Cu2+ on KLN-T) and 6.057 (Co2+ on KLN-T).
Sánchez-Martín, J; González-Velasco, M; Beltrán-Heredia, J; Gragera-Carvajal, J; Salguero-Fernández, J
2010-02-15
Natural tannin-based adsorbent has been prepared on the basis of the gelification of Quebracho bark extract. The resulting product, Quebracho Tannin Gel (QTG) was tested as cationic dye adsorbent with Methylene Blue (MB). Kinetics of adsorption process were studied out and a period of 15 days was determined for reaching equilibrium. The influences of pH and temperature were evaluated. As pH or temperature raise q capacity of QTG increases. Theoretical modelization of dye-QTG adsorption was carried out by multiparametric adjustment according to Langmuir's hypothesis. Values of the k(l1), k(l2) and activation energies were calculated. PMID:19782466
Kerr-Newman solution in modified teleparallel theory of gravity
NASA Astrophysics Data System (ADS)
Nashed, Gamal G. L.
2015-11-01
A nondiagonal tetrad field having six unknown functions plus an angle Φ, which is a function of the radial coordinate r, azimuthal angle θ and the polar angle ϕ, is applied to the charged field equations of modified teleparallel theory of gravity. A special nonvacuum solution is derived with three constants of integration. The tetrad field of this solution is axially symmetric and its scalar torsion is constant. The associated metric of the derived solution gives Kerr-Newman spacetime. We have shown that the derived solution can be described by a local Lorentz transformations plus a diagonal tetrad field that is the square root of the Kerr-Newman metric. We show that any solution of general relativity (GR) can be a solution in f(T) under certain conditions.
Site blocking effects on adsorbed polyacrylamide conformation
NASA Astrophysics Data System (ADS)
Brotherson, Brett A.
The use of polymers as flocculating additives is a common practice in many manufacturing environments. However, exactly how these polymers interact with surfaces is relatively unknown. One specific topic which is thought to be very important to flocculation is an adsorbed polymer's conformation. Substantial amounts of previous work, mainly using simulations, have been performed to elucidate the theory surrounding adsorbed polymer conformations. Yet, there is little experimental work which directly verifies current theory. In order to optimize the use of polymer flocculants in industrial applications, a better understanding of an adsorbed polymer's conformation on a surface beyond theoretical simulations is necessary. This work looks specifically at site blocking, which has a broad impact on flocculation, adsorption, and surface modification, and investigated its effects on the resulting adsorbed polymer conformation. Experimental methods which would allow direct determination of adsorbed polymer conformational details and be comparable with previous experimental results were first determined or developed. Characterization of an adsorbed polymer's conformation was then evaluated using dynamic light scattering, a currently accepted experimental technique to examine this. This commonly used technique was performed to allow the comparison of this works results with past literature. Next, a new technique using atomic force microscopy was developed, building on previous experimental techniques, to allow the direct determination of an adsorbed polymer's loop lengths. This method also was able to quantify changes in the length of adsorbed polymer tails. Finally, mesoscopic simulation was attempted using dissipative particle dynamics. In order to determine more information about an adsorbed polymer's conformation, three different environmental factors were analyzed: an adsorbed polymer on a surface in water, an adsorbed polymer on a surface in aqueous solutions of varying
Solution of coupled and singular perturbation methods using duality theory.
NASA Technical Reports Server (NTRS)
Chan, W. L.; Leininger, G. G.
1973-01-01
Dual variational techniques developed by Chan and Leininger (1972) are summarized, and duality theory in the form of the Complementary Variational Principle is employed to provide a suboptimal measure for the singular and epsilon-coupled perturbation methods proposed by Kokotovic and Cruz. The suboptimal measure is independent of any a priori knowledge of the optimal solution, thereby providing an absolute estimate of the performance loss rather than an estimate relative to the unknown optimal solution.
NASA Astrophysics Data System (ADS)
Liu, Jinshui; Liu, Wenxiu; Wang, Yiru; Xu, Meijiao; Wang, Bin
2016-03-01
Novel nanocomposites of xanthated Fe3O4-chitosan grafted onto graphene oxide (xanthated Fe3O4-CS-GO) were successfully synthesized for the first time using an amidation reaction. The xanthated Fe3O4-CS-GO was used to remove Cu(II) from aqueous solutions. The xanthated Fe3O4-CS-GO was characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffractometry, and energy dispersive X-ray spectroscopy. The Cu(II) adsorption isotherms for the xanthated Fe3O4-CS-GO fitted the Langmuir isotherm model. The maximum Cu(II) adsorption capacity of the xanthated Fe3O4-CS-GO was 426.8 mg g-1, which is much higher than the maximum adsorption capacities of other adsorbents that have been described in the literature. This was attributed to xanthated Fe3O4-CS-GO having abundant functional groups. The xanthated Fe3O4-CS-GO could be regenerated using ethylene diamine tetraacetic acid, and could easily be removed from a liquid using an external magnetic field. These features would allow secondary pollution of the environment to be avoided more easily than is the case for other adsorbents. Cu(II) was adsorbed from aqueous solutions quickly and efficiently by the xanthated Fe3O4-CS-GO complex, suggesting that xanthated Fe3O4-CS-GO may be an ideal candidate for removing Cu(II) from wastewater.
Theory for the solvation of nonpolar solutes in water.
Urbic, T; Vlachy, V; Kalyuzhnyi, Yu V; Dill, K A
2007-11-01
We recently developed an angle-dependent Wertheim integral equation theory (IET) of the Mercedes-Benz (MB) model of pure water [Silverstein et al., J. Am. Chem. Soc. 120, 3166 (1998)]. Our approach treats explicitly the coupled orientational constraints within water molecules. The analytical theory offers the advantage of being less computationally expensive than Monte Carlo simulations by two orders of magnitude. Here we apply the angle-dependent IET to studying the hydrophobic effect, the transfer of a nonpolar solute into MB water. We find that the theory reproduces the Monte Carlo results qualitatively for cold water and quantitatively for hot water. PMID:17994825
Theory for the solvation of nonpolar solutes in water
NASA Astrophysics Data System (ADS)
Urbic, T.; Vlachy, V.; Kalyuzhnyi, Yu. V.; Dill, K. A.
2007-11-01
We recently developed an angle-dependent Wertheim integral equation theory (IET) of the Mercedes-Benz (MB) model of pure water [Silverstein et al., J. Am. Chem. Soc. 120, 3166 (1998)]. Our approach treats explicitly the coupled orientational constraints within water molecules. The analytical theory offers the advantage of being less computationally expensive than Monte Carlo simulations by two orders of magnitude. Here we apply the angle-dependent IET to studying the hydrophobic effect, the transfer of a nonpolar solute into MB water. We find that the theory reproduces the Monte Carlo results qualitatively for cold water and quantitatively for hot water.
Shi, Ping; Fromondi, Iosif; Scherson, Daniel A
2006-12-01
The dynamics of the electrooxidation of adsorbed CO, COads, on polycrystalline Pt microelectrodes has been examined in CO-saturated 0.5 M H2SO4 and 0.5 M HClO4 aqueous solutions, using in situ, time-resolved, normalized differential reflectance spectroscopy lambda = 633 nm). Attention was focused on the unique dependence of COads oxidation on the potential at which the adsorbed full CO monolayer is assembled (i.e., hydrogen adsorption/desorption vs the double-layer region) using both fast linear scan voltammetry and potential step techniques. As evidenced from the data collected, COads oxidation at a fixed potential proceeds at slower rates when the monolayer is formed in the double- layer region compared to when it is formed in the hydrogen adsorption/desorption region. Possible explanations for this effect are discussed. PMID:17129007
Inflationary solutions in the nonminimally coupled scalar field theory
NASA Astrophysics Data System (ADS)
Koh, Seoktae; Kim, Sang Pyo; Song, Doo Jong
2005-08-01
We study analytically and numerically the inflationary solutions for various type scalar potentials in the nonminimally coupled scalar field theory. The Hamilton-Jacobi equation is used to deal with nonlinear evolutions of inhomogeneous spacetimes and the long-wavelength approximation is employed to find the homogeneous solutions during an inflation period. The constraints that lead to a sufficient number of e-folds, a necessary condition for inflation, are found for the nonminimal coupling constant and initial conditions of the scalar field for inflation potentials. In particular, we numerically find an inflationary solution in the new inflation model of a nonminimal scalar field.
Donovan, Preston; Chehreghanianzabi, Yasaman; Rathinam, Muruhan; Zustiak, Silviya Petrova
2016-01-01
The study of diffusion in macromolecular solutions is important in many biomedical applications such as separations, drug delivery, and cell encapsulation, and key for many biological processes such as protein assembly and interstitial transport. Not surprisingly, multiple models for the a-priori prediction of diffusion in macromolecular environments have been proposed. However, most models include parameters that are not readily measurable, are specific to the polymer-solute-solvent system, or are fitted and do not have a physical meaning. Here, for the first time, we develop a homogenization theory framework for the prediction of effective solute diffusivity in macromolecular environments based on physical parameters that are easily measurable and not specific to the macromolecule-solute-solvent system. Homogenization theory is useful for situations where knowledge of fine-scale parameters is used to predict bulk system behavior. As a first approximation, we focus on a model where the solute is subjected to obstructed diffusion via stationary spherical obstacles. We find that the homogenization theory results agree well with computationally more expensive Monte Carlo simulations. Moreover, the homogenization theory agrees with effective diffusivities of a solute in dilute and semi-dilute polymer solutions measured using fluorescence correlation spectroscopy. Lastly, we provide a mathematical formula for the effective diffusivity in terms of a non-dimensional and easily measurable geometric system parameter. PMID:26731550
Advancements to the theory of free solution electrophoresis of polyelectrolytes
NASA Astrophysics Data System (ADS)
McCormick, Laurette
Capillary electrophoresis (CE) is the workhorse of countless analytical laboratories and is used routinely in various industries including pharmaceutical, forensic and clinical applications. Basically, CE is a method for separating charged molecular species in a buffer-filled capillary by the application of an electric field; the analytes move from one end of the capillary to the detector at the other end at speeds determined by their charge, size and shape. Generally, in free solution CE uniformly charged polyelectrolytes (such as DNA) are free-draining, meaning that their speed is independent of their size. Hence, until recently, a gel or other sieving medium has been necessary for the separation of polyelectrolytes; however, modifying uniformly charged polymers on the molecular level, via conjugation to uncharged polymers, allows for separation in free solution CE. In this thesis, advancements to the theory of free solution electrophoresis of polyelectrolytes, in particular, to the theories for two new free solution electrophoresis methods relying on conjugation, are presented. The first method, called End Labelled Free Solution Electrophoresis (ELFSE), can be used to sequence DNA, a negatively charged polymer in solution. Two different means of improving the resolution of ELFSE are predicted, one based on the molecular end effect, the other based on using a controlled electro-osmotic flow. In addition, a theory for the segregation of the DNA and label coils in ELFSE is presented. The second method is called Free Solution Conjugate Electrophoresis (FSCE); it allows for characterization of a sample of neutral polymers differing in length. The relevant theory, developed herein, elucidates how to accurately determine the molar mass distribution of the sample through FSCE measurements. In addition, supporting theories are developed that clarify the correct equation for the diffusion coefficient of molecules undergoing free solution electrophoresis, as well as
NASA Technical Reports Server (NTRS)
Watanabe, S.
1983-01-01
An adsorbent which uses as its primary ingredient phosphoric acid salts of zirconium or titanium is presented. Production methods are discussed and several examples are detailed. Measurements of separating characteristics of some gases using the salts are given.
Thermodynamic properties of fluids from Fluctuation Solution Theory
O'Connell, J.P.
1990-01-01
Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested.
Thermodynamic properties of fluids from Fluctuation Solution Theory
O`Connell, J.P.
1990-12-31
Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested.
On big crunch solutions in Prokushkin-Vasiliev theory
NASA Astrophysics Data System (ADS)
Iazeolla, Carlo; Raeymaekers, Joris
2016-01-01
We construct simple solutions of three-dimensional higher spin gravity interacting with matter in which only the scalar and spin-two fields are excited. They preserve Lorentz symmetry and are similar to the four-dimensional solutions constructed by Sezgin and Sundell, with the difference that the additional twisted sectors of the three-dimensional theory are excited. Furthermore, the three-dimensional system contains an extra parameter λ which allows us to vary the mass of the scalar. Among other reasons, the resulting solutions are interesting for the holographic study of cosmological singularities: they describe the growth of a Coleman-De Luccia bubble in anti-de Sitter space, ending in a big crunch singularity. We initiate the holographic study of these solutions, finding evidence for their interpretation within a multi-trace deformation which renders the dual field theory unstable. The limit λ → 0 is particularly interesting as it captures effects of a running coupling in a large- N interacting fermion model. We also propose a generalization of our solutions, consisting of a dressing with Lorentz-invariant projectors. This additional sector remains non-trivial when the scalar field is turned off.
Magnetotail equilibrium theory - The general three-dimensional solution
NASA Technical Reports Server (NTRS)
Birn, J.
1987-01-01
The general magnetostatic equilibrium problem for the geomagnetic tail is reduced to the solution of ordinary differential equations and ordinary integrals. The theory allows the integration of the self-consistent magnetotail equilibrium field from the knowledge of four functions of two space variables: the neutral sheet location, the total pressure, the magnetic field strength, and the z component of the magnetic field at the neutral sheet.
Stability of spherically symmetric solutions in modified theories of gravity
Seifert, Michael D.
2007-09-15
In recent years, a number of alternative theories of gravity have been proposed as possible resolutions of certain cosmological problems or as toy models for possible but heretofore unobserved effects. However, the implications of such theories for the stability of structures such as stars have not been fully investigated. We use our 'generalized variational principle', described in a previous work [M. D. Seifert and R. M. Wald, Phys. Rev. D 75, 084029 (2007)], to analyze the stability of static spherically symmetric solutions to spherically symmetric perturbations in three such alternative theories: Carroll et al.'s f(R) gravity, Jacobson and Mattingly's 'Einstein-aether theory', and Bekenstein's TeVeS theory. We find that in the presence of matter, f(R) gravity is highly unstable; that the stability conditions for spherically symmetric curved vacuum Einstein-aether backgrounds are the same as those for linearized stability about flat spacetime, with one exceptional case; and that the 'kinetic terms' of vacuum TeVeS theory are indefinite in a curved background, leading to an instability.
Dual of the Janus solution: An interface conformal field theory
NASA Astrophysics Data System (ADS)
Clark, A. B.; Freedman, D. Z.; Karch, A.; Schnabl, M.
2005-03-01
We propose and study a specific gauge theory dual of the smooth, nonsupersymmetric (and apparently stable) Janus solution of Type IIB supergravity found in Bak et al. [J. High Energy Phys., JHEPFG, 1029-8479 05 (2003) 072]. The dual field theory is N=4 SYM theory on two half-spaces separated by a planar interface with different coupling constants in each half-space. We assume that the position dependent coupling multiplies the operator L' which is the fourth descendent of the primary TrX{IXJ} and closely related to the N=4 Lagrangian density. At the classical level supersymmetry is broken explicitly, but SO(3,2) conformal symmetry is preserved. We use conformal perturbation theory to study various correlation functions to first and second order in the discontinuity of g2YM, confirming quantum level conformal symmetry. Certain quantities such as the vacuum expectation value
BOOK REVIEW: Classical Solutions in Quantum Field Theory Classical Solutions in Quantum Field Theory
NASA Astrophysics Data System (ADS)
Mann, Robert
2013-02-01
Quantum field theory has evolved from its early beginnings as a tool for understanding the interaction of light with matter into a rather formidable technical paradigm, one that has successfully provided the mathematical underpinnings of all non-gravitational interactions. Over the eight decades since it was first contemplated the methods have become increasingly more streamlined and sophisticated, yielding new insights into our understanding of the subatomic world and our abilities to make clear and precise predictions. Some of the more elegant methods have to do with non-perturbative and semiclassical approaches to the subject. The chief players here are solitons, instantons, and anomalies. Over the past three decades there has been a steady rise in our understanding of these objects and of our ability to calculate their effects and implications for the rest of quantum field theory. This book is a welcome contribution to this subject. In 12 chapters it provides a clear synthesis of the key developments in these subjects at a level accessible to graduate students that have had an introductory course to quantum field theory. In the author's own words it provides both 'a survey and an overview of this field'. The first half of the book concentrates on solitons--kinks, vortices, and magnetic monopoles--and their implications for the subject. The reader is led first through the simplest models in one spatial dimension, into more sophisticated cases that required more advanced topological methods. The author does quite a nice job of introducing the various concepts as required, and beginning students should be able to get a good grasp of the subject directly from the text without having to first go through the primary literature. The middle part of the book deals with the implications of these solitons for both cosmology and for duality. While the cosmological discussion is quite nice, the discussion on BPS solitons, supersymmetry and duality is rather condensed. It is
Tapaswi, Pradip Kumar; Moorthy, Madhappan Santha; Park, Sung Soo; Ha, Chang-Sik
2014-03-15
A new SBA-15 supported 1,4,7-triazacyclononane modified mesoporous silica adsorbent (SBA-TACN) has been synthesized using post grafting route and has thoroughly been characterized by small angle X-ray scattering (SAXS), N{sub 2} adsorption–desorption measurements, Fourier-transform infrared (FT-IR), solid-state {sup 29}Si MAS and {sup 13}C CP MAS NMR spectroscopy, transmission electron (TEM) and scanning electron microscopy (SEM), elemental analysis (EA) and thermogravimetric analysis (TGA). The synthesized material shows excellent copper (II) ion adsorption selectivity at pH 5 in mixed metal ion solution containing Cu{sup 2+}, Cr{sup 3+}, Ni{sup 2+}, Co{sup 2+} and Li{sup +}. The copper ion adsorption capacity of the SBA-TACN can reach a maximum value of 0.67 mmol/g. Possible adsorption mechanism of metal ions on SBA-TACN has been discussed. The adsorbent can be readily regenerated by HNO{sub 3}–NH{sub 3} treatment. -- Graphical abstract: A new SBA-15 supported 1,4,7-triazacyclononane (TACN) modified mesoporous silica (SBA-TACN) adsorbent has been developed which shows excellent selectivity in Cu{sup 2+} adsorption from aqueous mixed metal ion solutions at pH 5. The copper ion adsorption capacity of the SBA-TACN can reach a maximum value of 0.67 mmol/g. The adsobent is stable enough to be used atleast for three cycles. Highlights: • Synthesis of a new TACN modified mesoporous silica SBA-15 type adsorbent. • The density of 1,4,7-triazacyclononane on SBA-15 is 1.22 mmol/g. • First report on the selective Cu{sup 2+} adsorption by TACN modified mesoporous silica. • Cu{sup 2+} adsorption capacity of the SBA-TACN can reach a maximum value of 0.67 mmol/g. • Potential candidate for selective removal of Cu{sup 2+} from contaminated water samples.
Traveling wave solution of the Reggeon field theory
Peschanski, Robi
2009-05-15
We identify the nonlinear evolution equation in impact-parameter space for the 'Supercritical Pomeron' in Reggeon field theory as a two-dimensional stochastic Fisher-Kolmogorov-Petrovski-Piscounov equation. It exactly preserves unitarity and leads in its radial form to a high-energy traveling wave solution corresponding to a 'universal' behavior of the impact-parameter front profile of the elastic amplitude; its rapidity dependence and form depend only on one parameter, the noise strength, independently of the initial conditions and of the nonlinear terms restoring unitarity. Theoretical predictions are presented for the three typical distinct regimes corresponding to zero, weak, and strong noise.
Ghatbandhe, A S; Yenkie, M K N
2008-04-01
Adsorption equilibrium, kinetics and thermodynamics of 2,4-dichlorophenol (2,4-DCP), one of the most commonly used chlorophenol, onto bituminous coal based Filtrasorb-400 grade granular activated carbon, were studied in aqueous solution in a batch system with respect to temperature. Uptake capacity of activated carbon found to increase with temperature. Langmuir isotherm models were applied to experimental equilibrium data of 2, 4-DCP adsorption and competitive studies with respect to XAD resin were carried out. Equilibrium data fitted very well to the Langmuir equilibrium model. Adsorbent monolayer capacity 'Q0, Langmuir constant 'b' and adsorption rate constant 'k(a)' were evaluated at different temperatures for activated carbon adsorption. This data was then used to calculate the energy of activation of adsorption and also the thermodynamic parameters, namely the free energy of adsorption, deltaG0, enthalpy of adsorption, deltaH0 and the entropy of adsorption deltaS0. The obtained results showed that the monolayer capacity increases with the increase in temperatures. The obtained values of thermodynamic parameters showed that adsorption of 2,4 DCP is an endothermic process. Synthetic resin was not found efficient to adsorb 2,4 DCP compared to activated carbon. The order of adsorption efficiencies of three resins used in the study found as XAD7HP > XAD4 > XAD1180. PMID:19295102
Kong, Lingjun; Xiong, Ya; Sun, Lianpeng; Tian, Shuanghong; Xu, Xianyan; Zhao, Cunyuan; Luo, Rongshu; Yang, Xin; Shih, Kaimin; Liu, Haiyang
2014-06-15
A porous sludge-derived char was prepared by a new one-step pyrolytic process with citric acid-ZnCl2 mixed fabricating-pore agents. The sludge-derived char was confirmed to be a hierarchically porous hybrid adsorbent containing-elemental carbon, -highly carbonized organic species and -inorganic ash with a great surface area of 792.4m(2)g(-1). It was used as a carbon-based hybrid adsorbent for four benzene derivatives including 4-chlorophenol, phenol, benzoic acid and 4-hydroxylbenzoic acid in aqueous solution. Results showed that their sorption isotherms were nonlinear at low concentrations and linear at high concentrations. The sorption performance could be described by a multiple sorption model (QT=QA+KPCe). The order of these partition sorption coefficients (KP) of these benzene derivatives was consistent with their octanol-water partition coefficients (logKow), but those saturated amounts (QA) were inconsistent with their logKow. The inconstancy was found to be considerably dependent on the preferential interaction of benzoic acid with SiO2 in the sludge-derived char. Quantum theoretical calculation confirmed that the preferential interaction was attributed to the formation of hydrogen bonds (1.61 and 1.69Å) and new Si-O bonds (1.83 and 1.87Å) between the carboxyl of benzoic acid and the SiO2 surface in the sorption process. PMID:24793296
Geometry and topology of bubble solutions from gauge theory
NASA Astrophysics Data System (ADS)
Chen, Heng-Yu; Correa, Diego H.; Silva, Guillermo A.
2007-07-01
We study how geometrical and topological aspects of certain (1)/(2)-BPS type IIB supergravity solutions are captured by the N=4 super Yang-Mills gauge theory in the AdS/CFT context. The type IIB solutions are completely characterized by arbitrary droplets in a plane and we consider, in particular, concentric droplets. We probe the dual (1)/(2)-BPS operators of the gauge theory with single traces and extract their one-loop anomalous dimensions. The action of the one-loop dilatation operator can be reformulated as the Hamiltonian of a bosonic lattice. The operators defining the Hamiltonian encode the topology of the droplet. The axial symmetry of the droplets turns out to be essential for obtaining the spectrum of the Hamiltonians. In appropriate BMN limits, the near-BPS spectrum reproduces the spectrum of near-BPS string excitations propagating along each individual edge of the droplet of the dual geometric background. We also study semiclassical regimes for the Hamiltonians. We show that, for droplets having disconnected constituents, the Hamiltonian admits different complimentary semiclassical descriptions, each one replicating the semiclassical description for closed strings extending in each of the constituents.
Filik, H.; Apak, R.
1998-06-01
The recently developed method of gallium recovery from alkaline solution by alkanoyl oxine/chloroform extraction has been improved by immobilizing palmitoyl oxine on hydrophobic macroporous styrene-divinylbenzene copolymer Amberlite XAD-2 and passing the GA-containing alkaline solution of pH 13.5 through the synthesized resin column. The developed column showed reasonable efficiency after successive passages, and the selectivity of Ga over Al was very high, suggesting the utilizibility of the method in Ga recovery from the basic aluminate liquor of the Bayer process. The Ga capacity of the oxine-based resin was 3.94 {micro}mol/g. Two mg Ga retained on 10 g resin could be eluted with 25 mL of 2 N HCl at a throughput rate of 2 mL/min. The developed process has prospective use in Ga separation from Al in a strongly alkaline solution.
NASA Astrophysics Data System (ADS)
Ruiz, Victor G.; Liu, Wei; Tkatchenko, Alexandre
2016-01-01
Modeling the adsorption of atoms and molecules on surfaces requires efficient electronic-structure methods that are able to capture both covalent and noncovalent interactions in a reliable manner. In order to tackle this problem, we have developed a method within density-functional theory (DFT) to model screened van der Waals interactions (vdW) for atoms and molecules on surfaces (the so-called DFT+vdWsurf method). The relatively high accuracy of the DFT+vdWsurf method in the calculation of both adsorption distances and energies, as well as the high degree of its reliability across a wide range of adsorbates, indicates the importance of the collective electronic effects within the extended substrate for the calculation of the vdW energy tail. We examine in detail the theoretical background of the method and assess its performance for adsorption phenomena including the physisorption of Xe on selected close-packed transition metal surfaces and 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on Au(111). We also address the performance of DFT+vdWsurf in the case of non-close-packed surfaces by studying the adsorption of Xe on Cu(110) and the interfaces formed by the adsorption of a PTCDA monolayer on the Ag(111), Ag(100), and Ag(110) surfaces. We conclude by discussing outstanding challenges in the modeling of vdW interactions for studying atomic and molecular adsorbates on inorganic substrates.
Bankston, Theresa E; Stone, Melani C; Carta, Giorgio
2008-04-25
This work provides the theoretical foundation and a range of practical application examples of a recently developed method to measure protein mass transfer in adsorbent particles using refractive index-based optical microscopy. A ray-theoretic approach is first used to predict the behavior of light traveling through a particle during transient protein adsorption. When the protein concentration gradient in the particle is sharp, resulting in a steep refractive index gradient, the rays bend and intersect, thereby concentrating light in a sharp ring that marks the position of the adsorption front. This behavior is observed when mass transfer is dominated by pore diffusion and the adsorption isotherm is highly favorable. Applications to protein cation-exchange, hydrophobic interaction, and affinity adsorption are then considered using, as examples, the three commercial, agarose-based stationary phases SP-Sepharose-FF, Butyl Sepharose 4FF, and MabSelect. In all three cases, the method provides results that are consistent with measurements based on batch adsorption and previously published data confirming its utility for the determination of protein mass transfer kinetics under a broad range of practically relevant conditions. PMID:18353343
Conformational changes of adsorbed proteins
NASA Astrophysics Data System (ADS)
Allen, Scott
2005-03-01
The adsorption of bovine serum albumin (BSA) and pepsin to gold surfaces has been studied using surface plasmon resonance (SPR). Proteins are adsorbed from solution onto a gold surface and changes in the conformation of the adsorbed proteins are induced by changing the buffer solution. We selected pH and ionic strength values for the buffer solutions that are known from our circular dichroism measurements to cause conformational changes of the proteins in bulk solution. We find that for both BSA and pepsin the changes in conformation are impeded by the interaction of the protein with the gold surface.
NASA Astrophysics Data System (ADS)
Wang, Ya; Zhu, Lin; Jiang, Haitao; Hu, Fang; Shen, Xiangqian
2016-04-01
With simple physical treatment, adsorption potential of longan shell for the methylene blue (MB) from aqueous solution was studied as a low-cost material under the conditions of adsorbent dosage (1-6 g/L), initial solution pH (2-12), contact time (5-180 min), temperature (293, 313, 313 K) and initial dye concentration (100-500 mg/L). The SEM images and FTIR spectra of longan shell before and after dye adsorption were analyzed to understand the adsorption process of MB onto longan shell. The kinetic data and the equilibrium data were simulated by different kinetic and isotherm models, respectively. The results showed that the adsorption process was well described by the pseudo-second-order kinetic model, and the experimental equilibrium data were better fit to Langmuir equation than Freundlich equation with the maximum adsorption capacity of 141.04 mg/g. In addition, main activation parameters (Ea, ΔH#, ΔS# and ΔG#) and thermodynamic parameters (ΔG°, ΔH° and ΔS°) of the absorption process were also determined.
Wang, Ya; Zhu, Lin; Jiang, Haitao; Hu, Fang; Shen, Xiangqian
2016-04-15
With simple physical treatment, adsorption potential of longan shell for the methylene blue (MB) from aqueous solution was studied as a low-cost material under the conditions of adsorbent dosage (1-6 g/L), initial solution pH (2-12), contact time (5-180 min), temperature (293, 313, 313 K) and initial dye concentration (100-500 mg/L). The SEM images and FTIR spectra of longan shell before and after dye adsorption were analyzed to understand the adsorption process of MB onto longan shell. The kinetic data and the equilibrium data were simulated by different kinetic and isotherm models, respectively. The results showed that the adsorption process was well described by the pseudo-second-order kinetic model, and the experimental equilibrium data were better fit to Langmuir equation than Freundlich equation with the maximum adsorption capacity of 141.04 mg/g. In addition, main activation parameters (E(a), ΔH(#), ΔS(#) and ΔG(#)) and thermodynamic parameters (ΔG°, ΔH° and ΔS°) of the absorption process were also determined. PMID:26878356
NASA Astrophysics Data System (ADS)
Huang, Y.-T.; Diehl, R. D.; Pulkkinen, A.; Pussi, K.
2015-09-01
Alkali metal adsorption systems provide important models for chemisorption. Low-energy electron diffraction experiments and density functional theory calculations were carried out for the adsorption of potassium on Pb(1 0 0). The stable structure for all submonolayer coverages was found to be the commensurate c(2 × 2) structure, with potassium atoms located in substitutional sites in the top substrate layer. This structure is temperature activated and occurs for adsorption or annealing of the film above 200 K. This finding is consistent with an earlier theory that proposed that for substrates with low energies of vacancy formation, substitutional structures can be the most stable. The structural and vibrational parameters deduced from the experiment are in agreement with the calculated values, and these values fit well into and add to the database of alkali metal adsorption properties.
Huang, Y-T; Diehl, R D; Pulkkinen, A; Pussi, K
2015-09-01
Alkali metal adsorption systems provide important models for chemisorption. Low-energy electron diffraction experiments and density functional theory calculations were carried out for the adsorption of potassium on Pb(1 0 0). The stable structure for all submonolayer coverages was found to be the commensurate c(2 × 2) structure, with potassium atoms located in substitutional sites in the top substrate layer. This structure is temperature activated and occurs for adsorption or annealing of the film above 200 K. This finding is consistent with an earlier theory that proposed that for substrates with low energies of vacancy formation, substitutional structures can be the most stable. The structural and vibrational parameters deduced from the experiment are in agreement with the calculated values, and these values fit well into and add to the database of alkali metal adsorption properties. PMID:26202693
Solution of the dilaton problem in open bosonic string theories
Bern, Z. ); Dunbar, D.C. )
1991-01-01
One of the most remarkable features of string theories is that they seem to provide a framework for a consistent theory of quantum gravity which is unified with all other forces. String theories fall into the two basic, a priori equally interesting, categories of open and closed string theories. For the past five years virtually all attention has been focused on purely closed string theories even though the reincarnation of string theory began with the discovery of anomaly cancellation and finiteness in the Green-Schwarz open superstring. It is the authors' purpose in this essay to rekindle interest in open string theories as potential theories of nature, including gravity. All string theories naively contain a massless dilaton which couples with the strength of gravity in direct violation of experiment. They present a simple mechanism for giving the dilaton a mass in unoriented open bosonic string theories.
Chirality transfer from gold nanocluster to adsorbate evidenced by vibrational circular dichroism
Dolamic, Igor; Varnholt, Birte; Bürgi, Thomas
2015-01-01
The transfer of chirality from one set of molecules to another is fundamental for applications in chiral technology and has likely played a crucial role for establishing homochirality on earth. Here we show that an intrinsically chiral gold cluster can transfer its handedness to an achiral molecule adsorbed on its surface. Solutions of chiral Au38(2-PET)24 (2-PET=2-phenylethylthiolate) cluster enantiomers show strong vibrational circular dichroism (VCD) signals in vibrations of the achiral adsorbate. Density functional theory (DFT) calculations reveal that 2-PET molecules adopt a chiral conformation. Chirality transfer from the cluster to the achiral adsorbate is responsible for the preference of one of the two mirror images. Intermolecular interactions between the adsorbed molecules on the crowded cluster surface seem to play a dominant role for the phenomena. Such chirality transfer from metals to adsorbates likely plays an important role in heterogeneous enantioselective catalysis. PMID:25960309
2012-01-01
Colored effluents are one of the important environment pollution sources since they contain unused dye compounds which are toxic and less-biodegradable. In this work removal of Acid Red 14 and Acid Red 18 azo dyes was investigated by acidic treated pumice stone as an efficient adsorbent at various experimental conditions. Removal of dye increased with increase in contact time and initial dye concentration, while decreased for increment in solution temperature and pH. Results of the equilibrium study showed that the removal of AR14 and AR18 followed Freundlich (r2>0.99) and Langmuir (r2>0.99) isotherm models. Maximum sorption capacities were 3.1 and 29.7 mg/g for AR 14 and AR18, namely significantly higher than those reported in the literature, even for activated carbon. Fitting of experimental data onto kinetic models showed the relevance of the pseudo-second order (r2>0.99) and intra-particle diffusion (r2>0.98) models for AR14 and AR18, respectively. For both dyes, the values of external mass transfer coefficient decreased for increasing initial dye concentrations, showing increasing external mass transfer resistance at solid/liquid layer. Desorption experiments confirmed the relevance of pumice stone for dye removal, since the pH regeneration method showed 86% and 89% regeneration for AR14 and AR18, respectively. PMID:23369579
Samarghandi, Mohammad Reza; Zarrabi, Mansur; Sepehr, Mohammad Noori; Amrane, Abdeltif; Safari, Gholam Hossein; Bashiri, Saied
2012-01-01
Colored effluents are one of the important environment pollution sources since they contain unused dye compounds which are toxic and less-biodegradable. In this work removal of Acid Red 14 and Acid Red 18 azo dyes was investigated by acidic treated pumice stone as an efficient adsorbent at various experimental conditions. Removal of dye increased with increase in contact time and initial dye concentration, while decreased for increment in solution temperature and pH. Results of the equilibrium study showed that the removal of AR14 and AR18 followed Freundlich (r2>0.99) and Langmuir (r2>0.99) isotherm models. Maximum sorption capacities were 3.1 and 29.7 mg/g for AR 14 and AR18, namely significantly higher than those reported in the literature, even for activated carbon. Fitting of experimental data onto kinetic models showed the relevance of the pseudo-second order (r2>0.99) and intra-particle diffusion (r2>0.98) models for AR14 and AR18, respectively. For both dyes, the values of external mass transfer coefficient decreased for increasing initial dye concentrations, showing increasing external mass transfer resistance at solid/liquid layer. Desorption experiments confirmed the relevance of pumice stone for dye removal, since the pH regeneration method showed 86% and 89% regeneration for AR14 and AR18, respectively. PMID:23369579
Hassan, Safia; Duclaux, Laurent; Lévêque, Jean-Marc; Reinert, Laurence; Farooq, Amjad; Yasin, Tariq
2014-11-01
The adsorption from aqueous solution of imidazolium, pyrrolidinium and pyridinium based bromide ionic liquids (ILs) having different alkyl chain lengths was investigated on two types of microporous activated carbons: a fabric and a granulated one, well characterized in terms of surface chemistry by "Boehm" titrations and pH of point of zero charge measurements and of porosity by N2 adsorption at 77 K and CO2 adsorption at 273 K. The influence of cation type, alkyl chain length and adsorbate size on the adsorption properties was analyzed by studying kinetics and isotherms of eight different ILs using conductivity measurements. Equilibrium studies were carried out at different temperatures in the range [25-55 °C]. The incorporation of ILs on the AC porosity was studied by N2 adsorption-desorption measurements at 77 K. The experimental adsorption isotherms data showed a good correlation with the Langmuir model. Thermodynamic studies indicated that the adsorption of ILs onto activated carbons was an exothermic process, and that the removal efficiency increased with increase in alkyl chain length, due to the increase in hydrophobicity of long chain ILs cations determined with the evolution of the calculated octanol-water constant (Kow). The negative values of free energies indicated that adsorption of ILs with long chain lengths having hydrophobic cations was more spontaneous at the investigated temperatures. PMID:24929502
NASA Astrophysics Data System (ADS)
Najafi, F.
2015-05-01
The main purpose of this study is to explain the absorption of zinc from aqueous solution by grapheme oxide and functionalized grapheme oxide with glycine as the adsorbent surface. For confirmed functionalized graphene oxide, the glycine amino group was added to the surface of graphene oxide. The effects of the initial concentration of Zn(II) ions and contact time were studied. Results showed that with increasing initial concentration of Zn(II) ions, the adsorption capacity increased. The adsorption capacity did not show a large change after 50 min; therefore, for the study of kinetic parameters, the optimal time of 50 min was selected. The chemical structure of graphene oxide was confirmed by using FT-IR analysis. The adsorption process of Zn(II) ions graphene oxide and functionalized graphene oxide-glycine surfaces was fixed at 298 K and pH 6. The pseudo-first-order and the pseudo-second-order (types I, II, III and IV) kinetic models were tested for the adsorption process and the results showed that the kinetic parameters best fit type (I) of the pseudo-second-order model. A high R 2 was used to be the best match.
Nontrivial static, spherically symmetric vacuum solution in a nonconservative theory of gravity
NASA Astrophysics Data System (ADS)
Oliveira, A. M.; Velten, H. E. S.; Fabris, J. C.
2016-06-01
We analyze the vacuum static spherically symmetric spacetime for a specific class of nonconservative theories of gravity based on Rastall's theory. We obtain a new vacuum solution which has the same structure as the Schwarzschild-de Sitter solution in the general relativity theory obtained with a cosmological constant playing the role of source. We further discuss the structure (in particular, the coupling to matter fields) and some cosmological aspects of the underline nonconservative theory.
Wei, Wei; Gao, Pin; Xie, Jimin Zong, Sekai; Cui, Henglv; Yue, Xuejie
2013-08-15
Using the solution phase method without any surfactants or templates, the hierarchical of Cu{sub 2}Cl(OH){sub 3} microspheres were synthesized by freeze drying. The size and surface area of the microspheres are ca. 1–2 µm and 76.61 m{sup 2} g{sup −1}, respectively. A possible formation mechanism is presented based on the experimental results. Methylene blue was chosen to investigate the adsorption capacity of the as-prepared adsorbent. The effects of various experimental parameters, such as pH, initial dye concentration, and contact time were investigated. The results showed that the dye removal increased with the increasing in the initial concentration of the dye and also increased in the amount of microspheres used and initial pH. Adsorption data fitted well with the Freundlich adsorption isotherm. The thermodynamic analysis presented the exothermic, spontaneous and more ordered arrangement process. The microspheres could be employed effective for removal of dyes from aqueous solution. - Graphical abstract: The single-crystalline hierarchical Cu{sub 2}Cl(OH){sub 3} spheres can be prepared for the first time by using a template-free process through freeze-drying. Meanwhile, the hierarchical spheres exhibited high adsorption capacity to methylene blue. Display Omitted - Highlights: • Cu{sub 2}Cl(OH){sub 3} microspheres were successfully synthesized through a freeze drying process. • A possible formation mechanism of hierarchical microspheres was presented. • The Cu{sub 2}Cl(OH){sub 3} microspheres have high methylene blue adsorption capacity. • Methylene blue adsorption is a spontaneous and exothermic process. • The adsorption mechanism of microspheres onto dye was proposed in detail.
Birdsall, B; Feeney, J; Burdett, I D; Bawumia, S; Barboni, E A; Hughes, R C
2001-04-17
Galectin-3, a beta-galactoside binding protein, contains a C-terminal carbohydrate recognition domain (CRD) and an N-terminal domain that includes several repeats of a proline-tyrosine-glycine-rich motif. Earlier work based on a crystal structure of human galectin-3 CRD, and modeling and mutagenesis studies of the closely homologous hamster galectin-3, suggested that N-terminal tail residues immediately preceding the CRD might interfere with the canonical subunit interaction site of dimeric galectin-1 and -2, explaining the monomeric status of galectin-3 in solution. Here we describe high-resolution NMR studies of hamster galectin-3 (residues 1--245) and several of its fragments. The results indicate that the recombinant N-terminal fragment Delta 126--245 (residues 1--125) is an unfolded, extended structure. However, in the intact galectin-3 and fragment Delta 1--93 (residues 94--245), N-terminal domain residues lying between positions 94 and 113 have significantly reduced mobility values compared with those expected for bulk N-terminal tail residues, consistent with an interaction of this segment with the CRD domain. In contrast to the monomeric status of galectin-3 (and fragment Delta 1--93) in solution, electron microscopy of negatively stained and rotary shadowed samples of hamster galectin-3 as well as the CRD fragment Delta 1--103 (residues 104--245) show the presence of a significant proportion (up to 30%) of oligomers. Similar imaging of the N-terminal tail fragment Delta 126--245 reveals the presence of fibrils formed by intermolecular interactions between extended polypeptide subunits. Oligomerization of substratum-adsorbed galectin-3, through N- and C-terminal domain interactions, could be relevant to the positive cooperativity observed in binding of the lectin to immobilized multiglycosylated proteins such as laminin. PMID:11294654
Static axisymmetric solutions with electric fields in low-energy string theory
NASA Astrophysics Data System (ADS)
Wei, Yi-Huan; Zhang, Yuan-Zhong; He, Feng
2002-12-01
In this paper, we prove that all five-dimensional axisymmetric Kaluza-Klein spacetime solutions with electrostatic fields may also be those of low-energy string theory. From the class of TS-like solutions in Kaluza-Klein theory we obtain the corresponding class of solutions with electric dipoles in low-energy string theory, which are enlarged to solutions with electric charges under the SO(1, 1) transformation. We obtain the complete metric for the TS-like solution with δ = 1. Lastly, we give a discussion.
Ahangari, Morteza Ghorbanzadeh; Fereidoon, Abdolhosein; Ganji, Masoud Darvish
2013-08-01
We performed first principles calculations based on density functional theory (DFT) to investigate the effect of epoxy monomer content on the electronic and mechanical properties of single-walled carbon nanotubes (SWCNTs). Our calculation results reveal that interfacial interaction increases with increasing numbers of epoxy monomers on the surface of SWCNTs. Furthermore, density of states (DOS) results showed no orbital hybridization between the epoxy monomers and nanotubes. Mulliken charge analysis shows that the epoxy polymer carries a positive charge that is directly proportional to the number of monomers. The Young's modulus of the nanotubes was also studied as a function of monomer content. It was found that, with increasing number of monomers on the nanotubes, the Young's modulus first decreases and then approaches a constant value. The results of a SWCNT pullout simulation suggest that the interfacial shear stress of the epoxy/SWCNT complex is approximately 68 MPa. These results agreed well with experimental results, thus proving that the simulation methods used in this study are viable. PMID:23609226
NASA Astrophysics Data System (ADS)
Houwaart, Torsten; Le Bahers, Tangui; Sautet, Philippe; Auwärter, Willi; Seufert, Knud; Barth, Johannes V.; Bocquet, Marie-Laure
2015-05-01
The cobalt tetraphenyl porphyrin (CoTPP) molecule and its adsorption on clean Cu and Ag surfaces are comparatively analyzed within the Density Functional Theory (DFT) framework. Different sets of exchange-correlation functionals - the Local Density Approximation (LDA) and the Gradient Generalized Approximation (along with the PBE functional and the semi-empirical Grimme's corrections of dispersion) - are compared. Two prominent structural adsorption properties are disclosed in all sets of calculations: an asymmetric saddle deformation of CoTPP with an enhanced tilting of the upwards bent pyrroles and a single adsorption site where the Co center occupies a bridge position and one molecular axis (along the direction of the lowered pair of opposite pyrroles) is aligned with the dense-packed < 1 1 bar 0 > substrate direction. The similarities between Cu(111) and Ag(111) surfaces extend to the interfacial electronic structure with similar electronic redistribution and molecular charging. However subtle differences between the two substrates are revealed with bias-dependent STM simulations, especially in the low-bias imaging range. The STM calculations underline the difficulty for the commonly used GGA + D2 DFT framework to quantitatively predict the energy positions of the frontier molecular orbitals (MOs).
NASA Astrophysics Data System (ADS)
Haldorai, Yuvaraj; Shim, Jae-Jin
2014-02-01
We report a novel multi-functional magnesium oxide (MgO) immobilized chitosan (CS) composite was prepared by chemical precipitation method. The CS-MgO composite was characterized by Fourier transform infrared spectroscopy, X-ray diffraction, transmission electron microscopy and zeta potential. The composite was applied as a novel adsorbent for removal of methyl orange model dye and the effect of adsorbent dosage, pH and contact time were studied. The adsorption kinetics followed a pseudo second order reaction. The adsorbent efficiency was unaltered even after five cycles of reuse. In addition, the composite exhibited a superior antibacterial efficacy of 93% within 24 h against Escherichia coli as measured by colony forming units. Based on the data of present investigation the composite being a biocompatible, eco-friendly and low-cost adsorbent with antibacterial activity could find potential applications in variety of fields and in particular environmental applications.
Phetphaisit, Chor Wayakron; Yuanyang, Siriwan; Chaiyasith, Wipharat Chuachuad
2016-01-15
Bio-adsorbent modified natural rubber (modified NR) was prepared, by placing the sulfonic acid functional group on the isoprene chain. This modification was carried out with the aim to prepare material capable to remove heavy metals from aqueous solution. The structures of modified NR materials were characterized by FT-IR and NMR spectroscopies. Thermal gravimetric analysis of modified NR showed that the initial degradation temperature of rubber decreases with increasing amount of polyacrylamido-2-methyl-1-propane sulfonic acid (PAMPS) in the structure. In addition, water uptake of the rubber based materials was studied as a function of time and content of PAMPS. The influence of the amount of PAMPS grafted onto NR, time, pH, concentration of metal ions, temperature, and regeneration were studied in terms of their influence on the adsorption of heavy metals (Pb(2+), Cd(2+) and Cu(2+)). The adsorption isotherms of Pb(2+) and Cd(2+) were fitted to the Freundlich isotherm model, while Cu(2+) was fitted to the Langmuir isotherm. However, the results from these two isotherms resulted in a similar behavior. The adsorption capacity of the modified NR for the various heavy metals was in the following order: Pb(2+)∼Cd(2+)>Cu(2+). The maximum adsorption capacities of Pb(2+), Cd(2+), and Cu(2+) were 272.7, 267.2, and 89.7 mg/g of modified rubber, respectively. Moreover, the modified natural rubber was used for the removal of metal ions in real samples of industrial effluents where the efficiency and regeneration were also investigated. PMID:26348149
A singular one-parameter family of solutions in cubic superstring field theory
NASA Astrophysics Data System (ADS)
Arroyo, E. Aldo
2016-05-01
Performing a gauge transformation of a simple identity-like solution of superstring field theory, we construct a one-parameter family of solutions, and by evaluating the energy associated to this family, we show that for most of the values of the parameter the solution represents the tachyon vacuum, except for two isolated singular points where the solution becomes the perturbative vacuum and the half brane solution.
Einstein-Rosen solutions from Kaluza-Klein theory
NASA Astrophysics Data System (ADS)
López, L. A.; Bretón, N.; Ramírez, B. V.
2013-01-01
From a time-dependent boost-rotational symmetric vacuum solution of the Einstein Equations in five dimensions, through the Kaluza-Klein reduction the corresponding Einstein-Maxwell-dilaton solutions are obtained. The four dimensional counterpart turns out to be generalized Einstein-Rosen spacetimes representing unpolarized gravitational waves traveling in an inhomogeneous cosmology. Restricting the parameters we are able to obtain different 4D time-dependent solutions equipped with scalar and electromagnetic fields.
Young-Kirchhoff-Rubinowicz theory of diffraction in the light of Sommerfeld's solution.
Umul, Yusuf Z
2008-11-01
Kirchhoff's theory of diffraction is derived by transforming the exact solution of Sommerfeld into surface integrals for the half-plane problem. It is shown that the exact solution directly yields the integral theorem of Kirchhoff in the context of the modified diffraction theory of Kirchhoff. The line integrals of Young-Rubinowicz are also derived by considering the rigorous solution of the reflected scattered fields for grazing incidence. PMID:18978850
Dyonic String-Like Solution in a Non-Abelian Gauge Theory with Two Potentials
NASA Astrophysics Data System (ADS)
Tripathi, Buddhi Vallabh; Nandan, Hemwati; Purohit, K. D.
2016-04-01
Axially symmetric dyon solutions of a non-Abelian gauge theory model with two potentials are sought. While seeking axially symmetric (flux tube like solutions) for the model, we stumbled upon an exact solution which represents an infinite string-like dyonic configuration with cylindrical symmetry.
Quasiparticle excitations of adsorbates on doped graphene
NASA Astrophysics Data System (ADS)
Lischner, Johannes; Wickenburg, Sebastian; Wong, Dillon; Karrasch, Christoph; Wang, Yang; Lu, Jiong; Omrani, Arash A.; Brar, Victor; Tsai, Hsin-Zon; Wu, Qiong; Corsetti, Fabiano; Mostofi, Arash; Kawakami, Roland K.; Moore, Joel; Zettl, Alex; Louie, Steven G.; Crommie, Mike
Adsorbed atoms and molecules can modify the electronic structure of graphene, but in turn it is also possible to control the properties of adsorbates via the graphene substrate. In my talk, I will discuss the electronic structure of F4-TCNQ molecules on doped graphene and present a first-principles based theory of quasiparticle excitations that captures the interplay of doping-dependent image charge interactions between substrate and adsorbate and electron-electron interaction effects on the molecule. The resulting doping-dependent quasiparticle energies will be compared to experimental scanning tunnelling spectra. Finally, I will also discuss the effects of charged adsorbates on the electronic structure of doped graphene.
Walking solutions in the string background dual to N=1 SQCD-like theories
Guerdogan, Omer Can
2010-03-15
A new solution in the string background dual to N=1 SQCD-like theories is presented. The gauge coupling in this solution has walking property. The Wilson loop calculations show that quark anti-quark potential makes phase transitions. Additionally the effect of flavours on other solutions in this background is investigated by considering some unflavoured solutions and perturbing them with small parameter x=(N{sub f})/(N{sub c})
Solution of a field theory model of frontal photopolymerization
NASA Astrophysics Data System (ADS)
Warren, James A.; Cabral, João T.; Douglas, Jack F.
2005-08-01
Frontal photopolymerization (FPP) provides a versatile method for the rapid fabrication of solid polymer network materials by exposing photosensitive molecules to light. Dimensional control of structures created by this process is crucial in applications ranging from microfluidics and coatings to dentistry, and the availability of a predictive mathematical model of FPP is needed to achieve such control. Previous work has relied on numerical solutions in validating the model against experiments because of the intractability of the governing nonlinear equations. The present paper provides solutions to these equations in the general case in which the optical attenuation decreases (photobleaching) or increases (photodarkening) with photopolymerization. These solutions are of mathematical and physical interest because they support traveling waves of polymerization that propagate logarithmically or linearly in time, depending on the evolution of optical attenuation of the photopolymerized material.
Finite element solution theory for three-dimensional boundary flows
NASA Technical Reports Server (NTRS)
Baker, A. J.
1974-01-01
A finite element algorithm is derived for the numerical solution of a three-dimensional flow field described by a system of initial-valued, elliptic boundary value partial differential equations. The familiar three-dimensional boundary layer equations belong to this description when diffusional processes in only one coordinate direction are important. The finite element algorithm transforms the original description into large order systems of ordinary differential equations written for the dependent variables discretized at node points of an arbitrarily irregular computational lattice. The generalized elliptic boundary conditions is piecewise valid for each dependent variable on boundaries that need not explicitly coincide with coordinate surfaces. Solutions for sample problems in laminar and turbulent boundary flows illustrate favorable solution accuracy, convergence, and versatility.
Third-order solution of an artificial-satellite theory
NASA Technical Reports Server (NTRS)
Kinoshita, H.
1977-01-01
A third-order solution was developed for the motions of artificial satellites moving in the gravitational field of the earth, whose potential includes the second-, third-, and fourth-order zonal harmonics. Third-order periodic perturbations with fourth-order secular perturbations were derived by the Hori perturbation method. All quantities were expanded into power series of the eccentricity, but the solution was obtained so as to be closed with respect to the inclination. A comparison with the results of numerical integration of the equations of motion indicates that the solution can predict the position of a close-earth, small-eccentricity satellite with an accuracy of better than one cm over a period of one month.
Some Exact Solutions in Energy Dependent Transport Theory
NASA Astrophysics Data System (ADS)
Williams, M. M. R.
1980-01-01
Some exact solutions are obtained for energy dependent slowing down problems with energy dependent cross sections. The transport equation is solved using the backward-forward model of Fermi. Also studied is the energy dependent diffusion equation. Using these models, and a novel technique involving difference equations, it has been possible to find explicit, and numerically useful, solutions for slowing down from a plane, monoenergetic source in an infinite medium. The slowing down density and the energy deposition function are obtained which are of value in reactor physics and radiation damage calculations.
A Solution to the Cosmological Problem of Relativity Theory
NASA Astrophysics Data System (ADS)
Janzen, Daryl
After nearly a century of scientific investigation, the standard cosmological theory continues to have many unexplained problems, which invariably amount to one troubling statement: we know of no good reason for the Universe to appear just as it does, which is described extremely well by the flat ΛCDM cosmological model. Therefore, the problem is not that the physical model is at all incompatible with observation, but that, as our empirical results have been increasingly constrained, it has also become increasingly obvious that the Universe does not meet our prior expectations; e.g., the evidence suggests that the Universe began from a singularity of the theory that is used to describe it, and with space expanding thereafter in cosmic time, even though relativity theory is thought to imply that no such objective foliation of the spacetime continuum should reasonably exist. Furthermore, the expanding Universe is well-described as being flat, isotropic, and homogeneous, even though its shape and expansion rate are everywhere supposed to be the products of local energy-content---and the necessary prior uniform distribution, of just the right amount of matter for all three of these conditions to be met, could not have been causally determined to begin with. And finally, the empirically constrained density parameters now indicate that all of the matter that we directly observe should make up only four percent of the total, so that the dominant forms of energy in the Universe should be dark energy in the form of a cosmological constant, Λ, and cold dark matter (CDM). The most common ways of attacking these problems have been: to apply modifications to the basic physical model, e.g. as in the inflation and quintessence theories which strive to resolve the horizon, flatness, and cosmological constant problems; to use particle physics techniques in order to formulate the description of dark matter candidates that might fit with observations; and, in the case of the Big
Cosmological solutions of a quadratic theory of gravity with torsion
NASA Astrophysics Data System (ADS)
Canale, Anna; de Ritis, Ruggiero; Tarantino, Ciro
1984-01-01
Following the general approach of Hehl, and Hayashi and Shirafuji, we give the gravity equations for the lagrangian L=(e/2L2)(F+1/2×F2) + LM. We have found the explicit Einstein-de Sitter solutions for a spinless dust. We have discussed in this case the singularity problem for the metric and for the torsion.
Exact cosmological solutions of f(R) theories via Hojman symmetry
NASA Astrophysics Data System (ADS)
Wei, Hao; Li, Hong-Yu; Zou, Xiao-Bo
2016-02-01
Nowadays, f (R) theory has been one of the leading modified gravity theories to explain the current accelerated expansion of the universe, without invoking dark energy. It is of interest to find the exact cosmological solutions of f (R) theories. Besides other methods, symmetry has been proved as a powerful tool to find exact solutions. On the other hand, symmetry might hint the deep physical structure of a theory, and hence considering symmetry is also well motivated. As is well known, Noether symmetry has been extensively used in physics. Recently, the so-called Hojman symmetry was also considered in the literature. Hojman symmetry directly deals with the equations of motion, rather than Lagrangian or Hamiltonian, unlike Noether symmetry. In this work, we consider Hojman symmetry in f (R) theories in both the metric and Palatini formalisms, and find the corresponding exact cosmological solutions of f (R) theories via Hojman symmetry. There exist some new solutions significantly different from the ones obtained by using Noether symmetry in f (R) theories. To our knowledge, they also have not been found previously in the literature. This work confirms that Hojman symmetry can bring new features to cosmology and gravity theories.
Electrically charged black hole solutions in generalized gauge field theories
NASA Astrophysics Data System (ADS)
Diaz-Alonso, J.; Rubiera-Garcia, D.
2011-09-01
We summarize the main features of a class of anomalous (asymptotically flat, but non Schwarzschild-like) gravitational configurations in models of gravitating non-linear electrodynamics (G-NED) whose Lagrangian densities are defined as arbitrary functions of the two field invariants and constrained by several physical admissibility conditions. This class of models and their associated electrostatic spherically symmetric black hole (ESSBH) solutions are characterized by the behaviours of the Lagrangian densities around the vacuum and at the boundary of their domain of definition.
Solution to the nonlinear field equations of ten dimensional supersymmetric Yang-Mills theory
NASA Astrophysics Data System (ADS)
Mafra, Carlos R.; Schlotterer, Oliver
2015-09-01
In this paper, we present a formal solution to the nonlinear field equations of ten-dimensional super Yang-Mills theory. It is assembled from products of linearized superfields which have been introduced as multiparticle superfields in the context of superstring perturbation theory. Their explicit form follows recursively from the conformal field theory description of the gluon multiplet in the pure spinor superstring. Furthermore, superfields of higher-mass dimensions are defined and their equations of motion are spelled out.
Basha, Shaik; Barr, Colin; Keane, David; Nolan, Kieran; Morrissey, Anne; Oelgemöller, Michael; Tobin, John M
2011-06-01
Activated carbon-supported TiO(2) nanoparticles, termed integrated photocatalytic adsorbents (IPCAs), were prepared using an ultrasonic impregnation technique and investigated for the photocatalytic degradation of amoxicillin (AMO), a β-lactam antibiotic. The IPCAs had high adsorption affinity for AMO with the amount adsorbed proportional to the TiO(2) loading and the highest adsorption was at 10 wt% TiO(2) loading. A pseudo-second-order model was found to fit the experimental data and consistently predicted the amount of AMO adsorbed over the adsorption period. Equilibrium isotherm studies showed that the adsorption followed the Redlich-Peterson model with maximum adsorption capacity of 441.3 mg g(-1) for 10% IPCA, 23% higher than the pure activated carbon (AC). Kinetic studies on the photocatalytic degradation of AMO using non-linear regression analysis suggest that the degradation followed Langmuir-Hinshelwood (L-H) kinetics. The adsorption rate constant (K(ad)) was considerably higher than the photocatalytic rate constant (k(L-H)), indicating that the photocatalysis of AMO is the rate-determining step during the adsorption/photocatalysis process. The 10% IPCA exhibited excellent stability and reusability over four photodegradation cycles. PMID:21380442
Warped de Sitter Solutions in the Scalar-Tensor Theory
NASA Astrophysics Data System (ADS)
Flachi, Antonino; Minamitsuji, Masato; Uzawa, Kunihito
2015-01-01
We consider a class of higher dimensional theories consisting of D-dimensional gravity coupled to a scalar dilaton and a form field propagating over a warped higher dimensional spacetime. In the simplest set-up, the models are characterized by two moduli: one related to the volume of the internal space, the other to the modulus of the warp factor. While the volume-modulus can be fixed by appropriately tuning the gauge field strength, curvature of the internal space, and cosmological constant, the same mechanism cannot work for the warp modulus. Here, we will present a stabilizing mechanism for the warp modulus and its mass in terms of quantum fluctuations from both moduli. We will show that, while quantum effects from the modulus associated to the warp modulus can only provide a stabilization mechanism of the mass scale in a restricted region of the parameter space, quantum effects from the volume modulus offer an efficient mechanism of stabilization.
Euclidean wormhole solutions of Einstein-Yang-Mills theory in diverse dimensions
Yoshida, K.; Hirenzaki, S. ); Shiraishi, K. )
1990-09-15
We solve the Euclidean Einstein equations with non-Abelian gauge fields of sufficiently large symmetry in various dimensions. In higher-dimensional spaces, we find the solutions which are similar to so-called scalar wormholes. In four-dimensional space-time, we find singular wormhole solutions with infinite Euclidean action. Wormhole solutions in the three-dimensional Einstein-Yang-Mills theory with a Chern-Simons term are also constructed.
Cosmological and wormhole solutions in low-energy effective string theory
Cadoni, M. INFN, Sezione di Cagliari, Via Ada Negri 18, I---09127 Cagliari ); Cavaglia, M. INFN, Sezione di Cagliari, Via Ada Negri 18, I-09127 Cagliari )
1994-11-15
We derive and study a class of cosmological and wormhole solutions of low-energy effective string field theory. We consider a general four-dimensional string effective action where moduli of the compactified manifold and the electromagnetic field are present. The cosmological solutions of the two-dimensional effective theory obtained by dimensional reduction of the former are discussed. In particular we demonstrate that the two-dimensional theory possesses a scale-factor duality invariance. Eucidean four-dimensional instantons describing the nucleation of the baby universes are found and the probability amplitude for the nucleation process given.
All torsion-free spherical vacuum solutions of the quadratic Poincare gauge theory of gravity
NASA Astrophysics Data System (ADS)
Baekler, P.; Yasskin, P. B.
1984-12-01
The complete torsion-free spherically symmetric vacuum solutions of the theory of gravity proposed by Hehl et al. (1978) are obtained analytically and characterized. The solutions are shown to correspond to either Schwarzschild metrics (including a gravitational confinement potential when the cosmological constant Lambda is less than zero), Narai-Bertotti metrics, or conformally flat metrics (including some asymptotically flat but nonstationary solutions). The relationships of the theory of Hehl et al. to those of Eddington (1924), Nordstrom (1913), Einstein (1917, with cosmological constant), and Yang (1974) are explored.
Pure gauge configurations and solutions to fermionic superstring field theory equations of motion
NASA Astrophysics Data System (ADS)
Aref'eva, I. Ya; Gorbachev, R. V.; Medvedev, P. B.
2009-07-01
Recent results on solutions to the equation of motion of the cubic fermionic string field theory and an equivalence of nonpolynomial and cubic string field theory are discussed. To have the possibility of dealing with both GSO(+) and GSO(-) sectors in the uniform way, a matrix formulation for the NS fermionic SFT is used. In constructions of analytical solutions to open-string field theories truncated pure gauge configurations parametrized by wedge states play an essential role. The matrix form of this parametrization for NS fermionic SFT is presented. Using the cubic open superstring field theory as an example we demonstrate explicitly that for the large parameter of the perturbation expansion these truncated pure gauge configurations give divergent contributions to the equations of motion on the subspace of the wedge states. The perturbation expansion is corrected by adding extra terms that are just those necessary for the equation of motion contracted with the solution itself to be satisfied.
Solutions in bosonic string field theory and higher spin algebras in AdS
NASA Astrophysics Data System (ADS)
Polyakov, Dimitri
2015-11-01
We find a class of analytic solutions in open bosonic string field theory, parametrized by the chiral copy of higher spin algebra in AdS3. The solutions are expressed in terms of the generating function for the products of Bell polynomials in derivatives of bosonic space-time coordinates Xm(z ) of the open string, the form of which is determined in this work. The products of these polynomials form a natural operator algebra realizations of w∞ (area-preserving diffeomorphisms), enveloping algebra of SU(2) and higher spin algebra in AdS3. The class of string field theory solutions found can, in turn, be interpreted as the "enveloping of enveloping," or the enveloping of AdS3 higher spin algebra. We also discuss the extensions of this class of solutions to superstring theory and their relations to higher spin algebras in higher space-time dimensions.
Early-time cosmological solutions in Einstein-scalar-Gauss-Bonnet theory
NASA Astrophysics Data System (ADS)
Kanti, Panagiota; Gannouji, Radouane; Dadhich, Naresh
2015-10-01
In this work, we consider a generalized gravitational theory that contains the Einstein term, a scalar field, and the quadratic Gauss-Bonnet (GB) term. We focus on the early-universe dynamics, and demonstrate that a simple choice of the coupling function between the scalar field and the Gauss-Bonnet term and a simplifying assumption regarding the role of the Ricci scalar can lead to new, analytical, elegant solutions with interesting characteristics. We first argue, and demonstrate in the context of two different models, that the presence of the Ricci scalar in the theory at early times (when the curvature is strong) does not affect the actual cosmological solutions. By considering therefore a pure scalar-GB theory with a quadratic coupling function we derive a plethora of interesting, analytic solutions: for a negative coupling parameter, we obtain inflationary, de Sitter-type solutions or expanding solutions with a de Sitter phase in their past and a natural exit mechanism at later times; for a positive coupling function, we find instead singularity-free solutions with no big bang singularity. We show that the aforementioned solutions arise only for this particular choice of coupling function, a result that may hint at some fundamental role that this coupling function may hold in the context of an ultimate theory.
Solution Structures of Rat Amylin Peptide: Simulation, Theory, and Experiment
Reddy, Allam S.; Wang, Lu; Lin, Yu-Shan; Ling, Yun; Chopra, Manan; Zanni, Martin T.; Skinner, James L.; De Pablo, Juan J.
2010-01-01
Abstract Amyloid deposits of amylin in the pancreas are an important characteristic feature found in patients with Type-2 diabetes. The aggregate has been considered important in the disease pathology and has been studied extensively. However, the secondary structures of the individual peptide have not been clearly identified. In this work, we present detailed solution structures of rat amylin using a combination of Monte Carlo and molecular dynamics simulations. A new Monte Carlo method is presented to determine the free energy of distinct biomolecular conformations. Both folded and random-coil conformations of rat amylin are observed in water and their relative stability is examined in detail. The former contains an α-helical segment comprised of residues 7–17. We find that at room temperature the folded structure is more stable, whereas at higher temperatures the random-coil structure predominates. From the configurations and weights we calculate the α-carbon NMR chemical shifts, with results that are in reasonable agreement with experiments of others. We also calculate the infrared spectrum in the amide I stretch regime, and the results are in fair agreement with the experimental line shape presented herein. PMID:20141758
The persistence length of adsorbed dendronized polymers.
Grebikova, Lucie; Kozhuharov, Svilen; Maroni, Plinio; Mikhaylov, Andrey; Dietler, Giovanni; Schlüter, A Dieter; Ullner, Magnus; Borkovec, Michal
2016-07-21
The persistence length of cationic dendronized polymers adsorbed onto oppositely charged substrates was studied by atomic force microscopy (AFM) and quantitative image analysis. One can find that a decrease in the ionic strength leads to an increase of the persistence length, but the nature of the substrate and of the generation of the side dendrons influence the persistence length substantially. The strongest effects as the ionic strength is being changed are observed for the fourth generation polymer adsorbed on mica, which is a hydrophilic and highly charged substrate. However, the observed dependence on the ionic strength is much weaker than the one predicted by the Odijk, Skolnik, and Fixman (OSF) theory for semi-flexible chains. Low-generation polymers show a variation with the ionic strength that resembles the one observed for simple and flexible polyelectrolytes in solution. For high-generation polymers, this dependence is weaker. Similar dependencies are found for silica and gold substrates. The observed behavior is probably caused by different extents of screening of the charged groups, which is modified by the polymer generation, and to a lesser extent, the nature of the substrate. For highly ordered pyrolytic graphite (HOPG), which is a hydrophobic and weakly charged substrate, the electrostatic contribution to the persistence length is much smaller. In the latter case, we suspect that specific interactions between the polymer and the substrate also play an important role. PMID:27353115
Anisotropic power-law solutions for a supersymmetry Dirac-Born-Infeld theory
NASA Astrophysics Data System (ADS)
Do, Tuan Q.; Kao, W. F.
2016-04-01
A new set of Bianchi type I power-law expanding solutions is obtained for a supersymmetric Dirac-Born-Infeld (SDBI) theory coupled to a gauge field. Stability analysis is also performed to show that this set of power-law expanding solutions is stable. In particular, this set of power-law solutions provides an explicit example to the role played by the supersymmetry correction term. We also show by a general approach that any stable anisotropic solution of SDBI model will turn unstable when a phantom field is introduced. We also show that the result of the scalar perturbation indicates that the SDBI model is a realistic model.
Existence of a solution to an equation arising from the theory of Mean Field Games
NASA Astrophysics Data System (ADS)
Gangbo, Wilfrid; Święch, Andrzej
2015-12-01
We construct a small time strong solution to a nonlocal Hamilton-Jacobi equation (1.1) introduced in [48], the so-called master equation, originating from the theory of Mean Field Games. We discover a link between metric viscosity solutions to local Hamilton-Jacobi equations studied in [2,19,20] and solutions to (1.1). As a consequence we recover the existence of solutions to the First Order Mean Field Games equations (1.2), first proved in [48], and make a more rigorous connection between the master equation (1.1) and the Mean Field Games equations (1.2).
Applicability of the Newman-Janis algorithm to black hole solutions of modified gravity theories
NASA Astrophysics Data System (ADS)
Hansen, Devin; Yunes, Nicolás
2013-11-01
The Newman-Janis algorithm has been widely used to construct rotating black hole solutions from nonrotating counterparts. While this algorithm was developed within general relativity (GR), it has more recently been applied to nonrotating solutions in modified gravity theories. We find that the application of the Newman-Janis algorithm to an arbitrary non-GR spherically symmetric solution introduces pathologies in the resulting axially symmetric metric. This then establishes that, in general, the Newman-Janis algorithm should not be used to construct rotating black hole solutions outside of General Relativity.
Ravikumar, K; Deebika, B; Balu, K
2005-06-30
Adsorption of Neolan Blue 2G (Acid Blue 158) and Basic Methylene Blue (Basic Blue 9) was investigated using a hybrid adsorbent that was prepared by pyrolysing a mixture of carbon and flyash at 1:1 ratio. A 2(4) full factorial central composite design with nine replicates at the center point and thus a total of 31 experiments were successfully employed for batch experimental design and analysis of the results. The combined effect of pH, temperature, particle size and time on the dye adsorption was studied. An empirical model was developed and validated applying ANOVA analysis incorporating interaction effects of all parameters and optimized using response surface methodology. The optimum pH, temperature, particle size and time were found to be 2.20, 27.85 degrees C, 0.0565 mm, 245 min, respectively, for Acid Blue 158 and those for Basic Blue 9 were 13.40, 28.45 degrees C, 0.0555 mm and 230 min, respectively. Complete removal (100%) was observed for both the dyes using the hybrid adsorbent. PMID:15943929
Rajesh, N; Mishra, Braja Gopal; Pareek, Pawan Kumar
2008-02-01
A novel approach has been developed for the solid phase extraction of chromium(VI) based on the adsorption of its diphenylcarbazide complex on a mixture of acid activated montmorillonite (AAM)-silica gel column. The effect of various parameters such as acidity, stability of the column, sample volume, interfering ions, etc., were studied in detail. The adsorbed complex could be easily eluted using polyethylene glycol-sulfuric acid mixture and the concentration of chromium has been determined using visible spectrophotometry. The calibration graph was linear in the range 0-1microgmL(-1) chromium(VI) with a detection limit of 6microgL(-1). A highest preconcentration factor of 25 could be obtained for 250mL sample volume using glass wool as support for the mixed bed adsorbent. Chromium(VI) could be effectively separated from other ions such as nickel, copper, zinc, chloride, sulfate, nitrate, etc., and the method has been successfully applied to study the recovery of chromium in electroplating waste water and spiked water samples. PMID:17604681
NASA Astrophysics Data System (ADS)
Rajesh, N.; Mishra, Braja Gopal; Pareek, Pawan Kumar
2008-02-01
A novel approach has been developed for the solid phase extraction of chromium(VI) based on the adsorption of its diphenylcarbazide complex on a mixture of acid activated montmorillonite (AAM)-silica gel column. The effect of various parameters such as acidity, stability of the column, sample volume, interfering ions, etc., were studied in detail. The adsorbed complex could be easily eluted using polyethylene glycol-sulfuric acid mixture and the concentration of chromium has been determined using visible spectrophotometry. The calibration graph was linear in the range 0-1 μg mL -1 chromium(VI) with a detection limit of 6 μg L -1. A highest preconcentration factor of 25 could be obtained for 250 mL sample volume using glass wool as support for the mixed bed adsorbent. Chromium(VI) could be effectively separated from other ions such as nickel, copper, zinc, chloride, sulfate, nitrate, etc., and the method has been successfully applied to study the recovery of chromium in electroplating waste water and spiked water samples.
Supercritical fluid regeneration of adsorbents
NASA Astrophysics Data System (ADS)
Defilippi, R. P.; Robey, R. J.
1983-05-01
The results of a program to perform studies supercritical (fluid) carbon dioxide (SCF CO2) regeneration of adsorbents, using samples of industrial wastewaters from manufacturing pesticides and synthetic solution, and to estimate the economics of the specific wastewater treatment regenerations, based on test data are given. Processing costs for regenerating granular activated carbon GAC) for treating industrial wastewaters depend on stream properties and regeneration throughput.
NASA Astrophysics Data System (ADS)
Farajnezhad, Arsalan; Asef Afshar, Orang; Asgarpour Khansary, Milad; Shirazian, Saeed
2016-07-01
The free volume theory has found practical application for prediction of diffusional behavior of polymer/solvent systems. In this paper, reviewing free volume theory, binary mutual diffusion coefficients in some polymer/solvent systems have been systematically presented through chemical thermodynamic modeling in terms of both activity coefficients and fugacity coefficients models. Here chemical thermodynamic model of compressible regular solution (CRS) was used for evaluation of diffusion coefficients calculations as the pure component properties would be required only. Four binary polymeric solutions of cyclohexane/polyisobutylene, n-pentane/polyisobutylene, toluene/polyisobutylene and chloroform/polyisobutylene were considered. The agreement between calculated data and the experimentally collected data was desirable and no considerable error propagation in approximating mutual diffusion coefficients has been observed.
Irani, Maryam; Ismail, Hanafi; Ahmad, Zulkifli; Fan, Maohong
2015-01-01
The purpose of this work is to remove Pb(II) from the aqueous solution using a type of hydrogel composite. A hydrogel composite consisting of waste linear low density polyethylene, acrylic acid, starch, and organo-montmorillonite was prepared through emulsion polymerization method. Fourier transform infrared spectroscopy (FTIR), Solid carbon nuclear magnetic resonance spectroscopy (CNMR)), silicon(-29) nuclear magnetic resonance spectroscopy (Si NMR)), and X-ray diffraction spectroscope ((XRD) were applied to characterize the hydrogel composite. The hydrogel composite was then employed as an adsorbent for the removal of Pb(II) from the aqueous solution. The Pb(II)-loaded hydrogel composite was characterized using Fourier transform infrared spectroscopy (FTIR)), scanning electron microscopy (SEM)), and X-ray photoelectron spectroscopy ((XPS)). From XPS results, it was found that the carboxyl and hydroxyl groups of the hydrogel composite participated in the removal of Pb(II). Kinetic studies indicated that the adsorption of Pb(II) followed the pseudo-second-order equation. It was also found that the Langmuir model described the adsorption isotherm better than the Freundlich isotherm. The maximum removal capacity of the hydrogel composite for Pb(II) ions was 430mg/g. Thus, the waste linear low-density polyethylene-g-poly (acrylic acid)-co-starch/organo-montmorillonite hydrogel composite could be a promising Pb(II) adsorbent. PMID:25597658
Azar, Richard Julian Head-Gordon, Martin
2015-05-28
Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidation of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.
Anti-de Sitter-wave solutions of higher derivative theories.
Gürses, Metin; Hervik, Sigbjørn; Şişman, Tahsin Çağrı; Tekin, Bayram
2013-09-01
We show that the recently found anti-de Sitter (AdS)-plane and AdS-spherical wave solutions of quadratic curvature gravity also solve the most general higher derivative theory in D dimensions. More generally, we show that the field equations of such theories reduce to an equation linear in the Ricci tensor for Kerr-Schild spacetimes having type-N Weyl and type-N traceless Ricci tensors. PMID:25166648
IR investigations of surfaces and adsorbates
Gwyn Williams
2001-12-10
Synchrotron infrared reflection-absorption measurements on single crystal metal surfaces with adsorbates have led to the determination of many key parameters related to the bonding vibrational modes and the dynamics of adsorbates. In particular, energy couplings between electrons and adsorbate motion have been shown to be a dominant mechanism on metal surfaces. Excellent agreement has been obtained with calculations for many of the observations, and the synergy between theory and experiment has led to a deeper understanding of the roles of electrons and phonons in determining the properties of interfaces and their roles in phenomena as diverse as friction, lubrication, catalysis and adhesion. Nonetheless, as the experiments are pushed harder, to describe such effects as co-adsorbed systems, disagreements continue to challenge the theory and our comprehension also is still evolving.
Successive phase transitions and kink solutions in ϕ(8), ϕ(10), and ϕ(12) field theories.
Khare, Avinash; Christov, Ivan C; Saxena, Avadh
2014-08-01
We obtain exact solutions for kinks in ϕ(8), ϕ(10), and ϕ(12) field theories with degenerate minima, which can describe a second-order phase transition followed by a first-order one, a succession of two first-order phase transitions and a second-order phase transition followed by two first-order phase transitions, respectively. Such phase transitions are known to occur in ferroelastic and ferroelectric crystals and in meson physics. In particular, we find that the higher-order field theories have kink solutions with algebraically decaying tails and also asymmetric cases with mixed exponential-algebraic tail decay, unlike the lower-order ϕ(4) and ϕ(6) theories. Additionally, we construct distinct kinks with equal energies in all three field theories considered, and we show the coexistence of up to three distinct kinks (for a ϕ(12) potential with six degenerate minima). We also summarize phonon dispersion relations for these systems, showing that the higher-order field theories have specific cases in which only nonlinear phonons are allowed. For the ϕ(10) field theory, which is a quasiexactly solvable model akin to ϕ(6), we are also able to obtain three analytical solutions for the classical free energy as well as the probability distribution function in the thermodynamic limit. PMID:25215844
Asymptotically flat, stable black hole solutions in Einstein-Yang-Mills-Chern-Simons theory.
Brihaye, Yves; Radu, Eugen; Tchrakian, D H
2011-02-18
We construct finite mass, asymptotically flat black hole solutions in d=5 Einstein-Yang-Mills-Chern-Simons theory. Our results indicate the existence of a second order phase transition between Reissner-Nordström solutions and the non-Abelian black holes which generically are thermodynamically preferred. Some of the non-Abelian configurations are also stable under linear, spherically symmetric perturbations. PMID:21405506
Li, Min; Wang, Xin; Cao, Lu; Lin, Zhijie; Wei, Minxi; Fang, Mujin; Li, Shaowei; Zhang, Jun; Xia, Ningshao; Zhao, Qinjian
2016-08-17
Human papillomavirus (HPV) 6 is a human pathogen which causes genital warts. Recombinant virus-like particle (VLP) based antigens are the active components in prophylactic vaccines to elicit functional antibodies. The binding and functional characteristics of a panel of 15 murine monoclonal antibodies (mAbs) against HPV6 was quantitatively assessed. Elite conformational indicators, recognizing the conformational epitopes, are also elite viral neutralizers as demonstrated with their viral neutralization efficiency (5 mAbs with neutralization titer below 4ng/mL) in a pseudovirion (PsV)-based system. The functionality of a given mAb is closely related to the nature of the corresponding epitope, rather than the apparent binding affinity to antigen. The epitope-specific antigenicity assays can be used to assess the binding activity of PsV or VLP preparations to neutralizing mAbs. These mAb-based assays can be used for process monitoring and for product release and characterization to confirm the existence of functional epitopes in purified antigen preparations. Due to the particulate nature of the alum adjuvants, the vaccine antigen adsorbed on adjuvants was considered largely as "a black box" due to the difficulty in analysis and visualization. Here, a novel method with fluorescence-based high content imaging for visualization and quantitating the immunoreactivity of adjuvant-adsorbed VLPs with neutralizing mAbs was developed, in which antigen desorption was not needed. The facile and quantitative in situ antigenicity analysis was amendable for automation. The integrity of a given epitope or two non-overlapping epitopes on the recombinant VLPs in their adjuvanted form can be assessed in a quantitative manner for cross-lot or cross-product comparative analysis with minimal manipulation of samples. PMID:27426626
Molecular theory and the effects of solute attractive forces on hydrophobic interactions
Chaudhari, Mangesh I.; Rempe, Susan B.; Asthagiri, D.; Tan, L.; Pratt, L. R.
2015-12-22
The role of solute attractive forces on hydrophobic interactions is studied by coordinated development of theory and simulation results for Ar atoms in water. We present a concise derivation of the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions, a derivation that clarifies the close relation of LMF theory to the EXP approximation applied to this problem long ago. The simulation results show that change from purely repulsive atomic solute interactions to include realistic attractive interactions diminishes the strength of hydrophobic bonds. For the Ar–Ar rdfs considered pointwise, the numerical results for themore » effects of solute attractive forces on hydrophobic interactions are opposite in sign and larger in magnitude than predicted by LMF theory. That comparison is discussed from the point of view of quasichemical theory, and it is suggested that the first reason for this difference is the incomplete evaluation within LMF theory of the hydration energy of the Ar pair. With a recent suggestion for the system-size extrapolation of the required correlation function integrals, the Ar–Ar rdfs permit evaluation of osmotic second virial coefficients B2. Those B2’s also show that incorporation of attractive interactions leads to more positive (repulsive) values. With attractive interactions in play, B2 can change from positive to negative values with increasing temperatures. Furthermore, this is consistent with the puzzling suggestions of decades ago that B2 ≈ 0 for intermediate cases of temperature or solute size. In all cases here, B2 becomes more attractive with increasing temperature.« less
Molecular theory and the effects of solute attractive forces on hydrophobic interactions
Chaudhari, Mangesh I.; Rempe, Susan B.; Asthagiri, D.; Tan, L.; Pratt, L. R.
2015-12-22
The role of solute attractive forces on hydrophobic interactions is studied by coordinated development of theory and simulation results for Ar atoms in water. We present a concise derivation of the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions, a derivation that clarifies the close relation of LMF theory to the EXP approximation applied to this problem long ago. The simulation results show that change from purely repulsive atomic solute interactions to include realistic attractive interactions diminishes the strength of hydrophobic bonds. For the Ar–Ar rdfs considered pointwise, the numerical results for the effects of solute attractive forces on hydrophobic interactions are opposite in sign and larger in magnitude than predicted by LMF theory. That comparison is discussed from the point of view of quasichemical theory, and it is suggested that the first reason for this difference is the incomplete evaluation within LMF theory of the hydration energy of the Ar pair. With a recent suggestion for the system-size extrapolation of the required correlation function integrals, the Ar–Ar rdfs permit evaluation of osmotic second virial coefficients B_{2}. Those B_{2}’s also show that incorporation of attractive interactions leads to more positive (repulsive) values. With attractive interactions in play, B_{2} can change from positive to negative values with increasing temperatures. Furthermore, this is consistent with the puzzling suggestions of decades ago that B_{2} ≈ 0 for intermediate cases of temperature or solute size. In all cases here, B_{2} becomes more attractive with increasing temperature.
Exact self-similar Bianchi II solutions for some scalar-tensor theories
NASA Astrophysics Data System (ADS)
Belinchón, J. A.
2013-06-01
We study how may behave the gravitational and the cosmological "constants", ( G and Λ) in several scalar-tensor theories with Bianchi II symmetries. By working under the hypothesis of self-similarity we find exact solutions for three different theoretical models, which are: the Jordan-Brans-Dicke (JBD) with Λ( ϕ), the usual JBD model with potential U( ϕ) (that mimics the behavior of Λ( ϕ)) and the induced gravity (IG) model proposed by Sakharov and Zee. After a careful study of the obtained solutions we may conclude that the solutions are quite similar although the IG model shows some peculiarities.
Game theory to characterize solutions of a discrete-time Hamilton-Jacobi equation
NASA Astrophysics Data System (ADS)
Toledo, Porfirio
2013-12-01
We study the behavior of solutions of a discrete-time Hamilton-Jacobi equation in a minimax framework of game theory. The solutions of this problem represent the optimal payoff of a zero-sum game of two players, where the number of moves between the players converges to infinity. A real number, called the critical value, plays a central role in this work; this number is the asymptotic average action of optimal trajectories. The aim of this paper is to show the existence and characterization of solutions of a Hamilton-Jacobi equation for this kind of games.
Cosmological solutions in five-dimensional Einstein-Maxwell-dilaton theory
NASA Astrophysics Data System (ADS)
Ghezelbash, A. M.
2015-04-01
We construct new classes of exact cosmological solutions to five-dimensional Einstein-Maxwell-dilaton theory with two coupling constants for the dilaton-Maxwell term and the dilaton-cosmological constant term. All the solutions are nonstationary, and the solutions where both coupling constants are nonzero are almost regular everywhere. The size of the spatial section of the asymptotic metric shrinks to zero at early times and increases to infinitely large at very late times. The cosmological constant depends on the dilaton coupling constant and can take positive, zero, or negative values.
Thin airfoil theory based on approximate solution of the transonic flow equation
NASA Technical Reports Server (NTRS)
Spreiter, John R; Alksne, Alberta Y
1957-01-01
A method is presented for the approximate solution of the nonlinear equations transonic flow theory. Solutions are found for two-dimensional flows at a Mach number of 1 and for purely subsonic and purely supersonic flows. Results are obtained in closed analytic form for a large and significant class of nonlifting airfoils. At a Mach number of 1 general expressions are given for the pressure distribution on an airfoil of specified geometry and for the shape of an airfoil having a prescribed pressure distribution. Extensive comparisons are made with available data, particularly for a Mach number of 1, and with existing solutions.
Thin airfoil theory based on approximate solution of the transonic flow equation
NASA Technical Reports Server (NTRS)
Spreiter, John R; Alksne, Alberta Y
1958-01-01
A method is presented for the approximate solution of the nonlinear equations of transonic flow theory. Solutions are found for two-dimensional flows at a Mach number of 1 and for purely subsonic and purely supersonic flows. Results are obtained in closed analytic form for a large and significant class of nonlifting airfoils. At a Mach number of 1 general expressions are given for the pressure distribution on an airfoil of specified geometry and for the shape of an airfoil having a prescribed pressure distribution. Extensive comparisons are made with available data, particularly for a Mach number of 1, and with existing solutions.
Solid-solution aqueous-solution equilibria: thermodynamic theory and representation
Glynn, P.D.; Reardon, E.J.
1990-01-01
Thorstenson and Plummer's (1977) "stoichiometric saturation' model is reviewed, and a general relation between stoichiometric saturation Kss constants and excess free energies of mixing is derived for a binary solid-solution B1-xCxA: GE = RT[ln Kss - xln(xKCA) - (l-x)ln((l-x)KBA)]. This equation allows a suitable excess free energy function, such as Guggenheim's (1937) sub-regular function, to be fitted from experimentally determined Kss constants. Solid-phase free energies and component activity-coefficients can then be determined from one or two fitted parameters and from the endmember solubility products KBA and KCA. A general form of Lippmann's (1977,1980) "solutus equation is derived from an examination of Lippmann's (1977,1980) "total solubility product' model. Lippmann's ??II or "total solubility product' variable is used to represent graphically not only thermodynamic equilibrium states and primary saturation states but also stoichiometric saturation and pure phase saturation states. -from Authors
NASA Astrophysics Data System (ADS)
Lin, Ying-Hsiu; Jeng, Horng-Tay; Lin, Deng-Sung
2015-11-01
Dissociative adsorption of H2O, NH3, CH3OH and CH3NH2 polar molecules on the Si(100) surface results in a 1:1 mixture of two adsorbates (H and multi-atomic fragment A = OH, NH2, CH3O, CH3NH, respectively) on the surface. By using density functional theory (DFT) calculations, the adsorption geometry, the total energies and the charge densities for various possible ordered structures of the mixed adsorbate layer have been found. Analyzing the systematic trends in the total energies unveils concurrently the nearest-neighbor interactions ENN and the next nearest-neighbor interactions ENNN between two polar adsorbates A. In going from small to large polar adsorbates, ENN's exhibit an attractive-to-repulsive crossover behavior, indicating that they include competing attractive and repulsive contributions. Exploration of the charge density distributions allows the estimation of the degree of charge overlapping between immediately neighboring A's, the resulting contribution of the steric repulsions, and that of the attractive interactions to the corresponding ENN's. The attractive contributions to nearest neighboring adsorbate-adsorbate interactions between the polar adsorbates under study are shown to result from hydrogen bonds or dipole-dipole interactions.
A theory of time-dependent compaction by fracturing and pressure solution
NASA Astrophysics Data System (ADS)
Keszthelyi, Daniel; Dysthe, Dag Kristian; Jamtveit, Bjørn
2016-04-01
Porous rocks under compressional stress conditions are subject to compaction creep. A previous micromechanical model, dealing with (partially) water-filled carbonates was able to predict strain rates of the compaction at macroscopic level by combining microscopic fracturing and pressure solution at microscopic level and using a statistical upscaling. Building on this model we investigated the time-dependence of the pressure solution and the overall compaction and created a new theory of compaction by developing a statistical theory of time-dependence of pressure solution. Long-term creep experiments on carbonate samples were used to test the model which was able to predict the rate of compaction and its time-dependence in largely different effective stress, temperature and fluid chemistry conditions.
Complex time solutions with nontrivial topology and multiparticle scattering in Yang-Mills theory
NASA Astrophysics Data System (ADS)
Gould, Thomas M.; R. Poppitz, Erich
1993-08-01
A classical solution in Yang-Mills thoery is given a new semiclassical interpretation in terms of particle scattering. It solves the complex time boundary value problem which arises in the semiclassical approximation to a multiparticle transition probability in the one-instanton sector at fixed energy. The imaginary part of the action of the solution on the complex time contour and its topological charge obey the same relation as the self-dual Euclidean configurations. Hence the solution is relevant for the problem of tunneling with fermion number violation in the electroweak theory. It describes transitions from an initial state with a smaller number of particles to a final state with a larger umber of particles. The implications of these results for multiparticle production in the electroweak theory are also discussed.
Gravitational wave solutions in string and M-theory AdS backgrounds
Kumar, Alok; Kunduri, Hari K.
2004-11-15
In this paper, we present several gravitational wave solutions in AdS{sub 5}xS{sup 5} string backgrounds, as well as in AdS{sub 7}xS{sup 4} and AdS{sub 4}xS{sup 7} backgrounds in M theory, generalizing the results of Phys. Lett. B 594, 368 (2004).. In each case, we present the general form of such solutions and give explicit examples, preserving certain amount of supersymmetry, by taking limits on known Bogomol'nyi-Prasad-Sommerfield D3 and M2, M5-brane solutions in pp-wave backgrounds. A key feature of our examples is the possibility of a wider variety of wave profiles, than in pure gravity and string/M-theory examples known earlier, coming from the presence of various p-form field strengths appearing in the gravitational wave structure.
McMillan-Mayer theory of solutions revisited: Simplifications and extensions
NASA Astrophysics Data System (ADS)
Vafaei, Shaghayegh; Tomberli, Bruno; Gray, C. G.
2014-10-01
McMillan and Mayer (MM) proved two remarkable theorems in their paper on the equilibrium statistical mechanics of liquid solutions. They first showed that the grand canonical partition function for a solution can be reduced to one with an effectively solute-only form, by integrating out the solvent degrees of freedom. The total effective solute potential in the effective solute grand partition function can be decomposed into components which are potentials of mean force for isolated groups of one, two, three, etc., solute molecules. Second, from the first result, now assuming low solute concentration, MM derived an expansion for the osmotic pressure in powers of the solute concentration, in complete analogy with the virial expansion of gas pressure in powers of the density at low density. The molecular expressions found for the osmotic virial coefficients have exactly the same form as the corresponding gas virial coefficients, with potentials of mean force replacing vacuum potentials. In this paper, we restrict ourselves to binary liquid solutions with solute species A and solvent species B and do three things: (a) By working with a semi-grand canonical ensemble (grand with respect to solvent only) instead of the grand canonical ensemble used by MM, and avoiding graphical methods, we have greatly simplified the derivation of the first MM result, (b) by using a simple nongraphical method developed by van Kampen for gases, we have greatly simplified the derivation of the second MM result, i.e., the osmotic pressure virial expansion; as a by-product, we show the precise relation between MM theory and Widom potential distribution theory, and (c) we have extended MM theory by deriving virial expansions for other solution properties such as the enthalpy of mixing. The latter expansion is proving useful in analyzing ongoing isothermal titration calorimetry experiments with which we are involved. For the enthalpy virial expansion, we have also changed independent variables
El-Hendawy, Abdel-Nasser A
2009-08-15
A deep understanding of adsorption of Pb(2+) and Cd(2+) ions from their aqueous solutions on activated carbons and their HNO(3)-oxidized forms has been attempted. These activated carbons were obtained from date pits using different activation methods. Adsorption isotherms of Pb(2+) and Cd(2+) ions were determined from solutions at pH 3 and 5.9. The results revealed that all obtained isotherms exhibited the model fitting according to Langmuir equation. The oxidized samples prone, slightly, to the high affinity isotherm type. The results revealed also that the investigated carbons removed appreciable amounts of lead and cadmium ions which increased by increasing pH of solutions from 3 to 5.9. The adsorption capacity of the investigated carbons also increased by HNO(3) acid surface treatment. The results were discussed in light of a possible chemical modification by nitric acid resulting in the creation of a large number of surface functional oxygen species. This interpretation was confirmed by FTIR investigation. The solution-pH and the surface chemistry of the carbons were found to play a decisive role in the uptake of these heavy metal ions from aqueous solutions rather than the carbon texture characteristics. PMID:19195774
NASA Astrophysics Data System (ADS)
Alipour, Dariush; Keshtkar, Ali Reza; Moosavian, Mohammad Ali
2016-03-01
The novel polyvinyl alcohol/titanium oxide/zinc oxide (PVA/TiO2/ZnO) nanofiber adsorbent functionalized with 3-mercaptopropyltrimethoxysilane (TMPTMS) was prepared by electrospinning method and its potential was investigated for the adsorption of thorium from single and multi-metal aqueous solutions. The prepared adsorbent was characterized by FTIR, SEM and BET analysis. The influences of different operational parameters such as pH, ionic strength, equilibrium time, initial concentration and temperature were studied in batch mode. Investigation of ionic strength effect showed that the addition of NaNO3 to metal solution has a slight effect on the thorium adsorption, whereas pH value has a serious effect on the thorium adsorption at pH values lower than 4. The double-exponential model described the adsorption of Th(IV) ions much better than other kinetic models within both the single and multi-component systems. Among various isotherm models used, the equilibrium data of Th(IV) conformed the Langmuir isotherm in the single system, while those were best fitted by Dubinin-Radushkevich (D-R) isotherm in multi-component system. Thermodynamic parameters such as ΔH°, ΔS°, and ΔG° indicated that the nature of adsorption process was spontaneous, endothermic and thermodynamically favored. The inhibitory effect of other metal ions on the adsorption capacity of Th(IV) was in order of Al(III) > Cu(II) > Cd(II) > Ni(II) > U(VI) > Fe(II).
Duality rotations and type D solutions of Einstein-Born-Infeld theory
NASA Astrophysics Data System (ADS)
Salazar, H.; Garcia, A.; Plebanski, J. F.
Explicit type D solutions, which generalize the charged Taub-NUT metric with cosmological constant, are constructed within nonlinear electrodynamics of the Born-Infeld type, constrained by the condition that freedom of duality rotations is included. The Carter (+,-) type D separable metrics in an optimal coordinatization is discussed, and the nonlinear electrodynamics in general relativity is described in terms of the null tetrad formalism. The class of nonlinear theories endowed with the freedom of duality rotations is defined. It is shown that B(+,-) branches are indeed carriers of solutions to the dynamical scheme of nonlinear electrodynamics, deriving explicit solutions which generalize the Taub-NUT charged solutions with lambda for the case of 'nonlinear charges'.
Exploring Lovelock theory moduli space for Schrödinger solutions
NASA Astrophysics Data System (ADS)
Jatkar, Dileep P.; Kundu, Nilay
2016-09-01
We look for Schrödinger solutions in Lovelock gravity in D > 4. We span the entire parameter space and determine parametric relations under which the Schrödinger solution exists. We find that in arbitrary dimensions pure Lovelock theories have Schrödinger solutions of arbitrary radius, on a co-dimension one locus in the Lovelock parameter space. This co-dimension one locus contains the subspace over which the Lovelock gravity can be written in the Chern-Simons form. Schrödinger solutions do not exist outside this locus and on this locus they exist for arbitrary dynamical exponent z. This freedom in z is due to the degeneracy in the configuration space. We show that this degeneracy survives certain deformation away from the Lovelock moduli space.
NASA Astrophysics Data System (ADS)
Fries, P. H.; Richardi, J.
2000-11-01
A general numerical method for solving the Wertheim association theory in the case of fully anisotropic polyatomic rigid molecules is proposed. In order to handle the nonspherical shapes of the molecules, the Wertheim association theory is combined with the rotational invariant approach of the molecular Ornstein-Zernike (MOZ) method. Therefore, this approach is called the WMOZ method. It is carried out in the association hypernetted chain (AHNC) approximation which is the only approximation and which consists of the neglect of the bridge functions. The method of solution is implemented by translating the set operations appearing in the Wertheim association theory into an algebraic formalism developed through a one-to-one correspondence between subsets and binary numbers. The Wertheim association theory is explicitly solved for hydrogen fluoride using two interaction site models. For these models, site-site distribution functions, internal excess energies, and dielectric constants obtained by the MOZ and WMOZ methods are compared to the exact molecular dynamics results. The WMOZ method strongly improves the structural description of the H bonding in comparison with the MOZ approximation. The quality of the dielectric and thermodynamic results obtained by the WMOZ approach is discussed in comparison with the simulation values. To our knowledge, this is the first solution of the Wertheim association theory for a liquid of particles of nonspherical shapes.
Fried, Eliot; Shen, Amy Q; Gurtin, Morton E
2006-06-01
We develop a complete set of equations governing the evolution of a sharp interface separating a volatile-solvent/nonvolatile-surfactant solution from a vapor atmosphere. In addition to a sorption isotherm equation and the conventional balances for mass, linear momentum, and energy, these equations include an alternative to the Hertz-Knudsen-Langmuir equation familiar from conventional theories of evaporation and condensation. This additional equation arises from a consideration of configurational forces within a thermodynamical framework. While the notion of configurational forces is well developed and understood for the description of materials that, like crystalline solids, possess natural reference configurations, very little has been done regarding their role in materials, such as viscous fluids, that do not possess preferred reference states. We therefore provide comprehensive developments of configurational forces, the balance of configurational momentum, and configurational thermodynamics. Our treatment does not require a choice of reference configuration. The general evolution equations arising from our theory account for the thermodynamic structure of the solution and the interface and for sources of dissipation related to the transport of surfactant, momentum, and heat in the solution and within the interface along with the transport of solute, momentum, kinetic energy, and heat across the interface. Moreover, the equations account for the Soret and Dufour effects in the solution and on the interface and for observed discontinuities of the temperature and chemical potential across the interface. Due to the complexity of these equations, we provide approximate equations which we compare to equations preexistent in the literature. PMID:16906840
Linear Stability of Elliptic Lagrangian Solutions of the Planar Three-Body Problem via Index Theory
NASA Astrophysics Data System (ADS)
Hu, Xijun; Long, Yiming; Sun, Shanzhong
2014-09-01
It is well known that the linear stability of Lagrangian elliptic equilateral triangle homographic solutions in the classical planar three-body problem depends on the mass parameter and the eccentricity . We are not aware of any existing analytical method which relates the linear stability of these solutions to the two parameters directly in the full rectangle [0, 9] × [0, 1), aside from perturbation methods for e > 0 small enough, blow-up techniques for e sufficiently close to 1, and numerical studies. In this paper, we introduce a new rigorous analytical method to study the linear stability of these solutions in terms of the two parameters in the full ( β, e) range [0, 9] × [0, 1) via the ω-index theory of symplectic paths for ω belonging to the unit circle of the complex plane, and the theory of linear operators. After establishing the ω-index decreasing property of the solutions in β for fixed , we prove the existence of three curves located from left to right in the rectangle [0, 9] × [0, 1), among which two are -1 degeneracy curves and the third one is the right envelope curve of the ω-degeneracy curves, and show that the linear stability pattern of such elliptic Lagrangian solutions changes if and only if the parameter ( β, e) passes through each of these three curves. Interesting symmetries of these curves are also observed. The linear stability of the singular case when the eccentricity e approaches 1 is also analyzed in detail.
Solubilities of Solutes in Ionic Liquids from a SimplePerturbed-Hard-Sphere Theory
Qin, Yuan; Prausnitz, John M.
2005-09-20
In recent years, several publications have provided solubilities of ordinary gases and liquids in ionic liquids. This work reports an initial attempt to correlate the experimental data using a perturbed-hard-sphere theory; the perturbation is based on well-known molecular physics when the solution is considered as a dielectric continuum. For this correlation, the most important input parameters are hard-sphere diameters of the solute and of the cation and anion that constitute the ionic liquid. In addition, the correlation uses the solvent density and the solute's polarizability and dipole and quadrupole moments, if any. Dispersion-energy parameters are obtained from global correlation of solubility data. Results are given for twenty solutes in several ionic liquids at normal temperatures; in addition, some results are given for gases in two molten salts at very high temperatures. Because the theory used here is much simplified, and because experimental uncertainties (especially for gaseous solutes) are often large, the accuracy of the correlation presented here is not high; in general, predicted solubilities (Henry's constants) agree with experiment to within roughly {+-} 70%. As more reliable experimental data become available, modifications in the characterizing parameters are likely to improve accuracy. Nevertheless, even in its present form, the correlation may be useful for solvent screening in engineering design.
NASA Astrophysics Data System (ADS)
Borisenko, Alexander
2016-05-01
During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its average bulk value. This feature affects the rates of attachment and detachment of solute atoms at the interface, and, therefore, the entire nucleation-growth kinetics is altered. Unless quite obvious, this effect has been ignored in classical nucleation theory. To illustrate the results of this approach, for the case of homogeneous nucleation, we calculate the total solubility and the nucleation rate as functions of two parameters of the model (the reduced interface energy and the inverse second Damköhler number), and we compare these results to the classical ones. One can conclude that discrepancies with classical nucleation theory are great in the diffusion-limited regime, when the rate of bulk diffusion is small compared to the rate of interface reactions, while in the opposite interface-limited case they vanish.
Dyer, Kippi M; Perkyns, John S; Pettitt, B Montgomery
2016-10-19
We consider the dielectric response of angularly dependent site-site theories for models of aqueous saline solutions. We find that we can use relatively low order approximations of the angularly dependent correlation functions with correct long ranged behavior to obtain good estimates of the dielectric constant for three site water models and simple 1-1 salts. We find that the solution thermodynamics results for this level of theory, as measured by the Kirkwood G integrals and the excess chemical potentials, are in good quantitative agreement with simulation even when the details of the short ranged structure is not as accurately determined. We find that the dielectric constant predictions of both the pure fluid and the salt-water mixtures are similarly predictive, in comparison to both simulation and experiment. PMID:27546725
Luxmoore, R.J.; Jardine, P.M.; Gardner, R.H. ); Wilson, G.V. . Dept. of Plant and Soil Science)
1990-01-01
Investigations of rain-fed solute transport have been conducted at a forested hillslope site by using an in situ soil pedon and a subsurface hydrologic monitoring facility. Complementary solute transport studies on undisturbed soil columns taken from the field site have not provided data that can be directly applied to the field situation. Scaling up from columns to pedons and from pedons to hillslopes is being evaluated with percolation theory and Latin hypercube sampling methods. Percolation theory provides a means of identifying mobile zones and stagnant zones for given soil structural attributes which can be compared with column dye tracing results. The generation of frequency distributions of backwater and backbone porosities for a range of total soil porosities and pore arrangements may provide a stochastic representation of soil systems suitable for scaling up from the column scale to the pedon using the Latin hypercube sampling method. 9 refs.
The persistence length of adsorbed dendronized polymers
NASA Astrophysics Data System (ADS)
Grebikova, Lucie; Kozhuharov, Svilen; Maroni, Plinio; Mikhaylov, Andrey; Dietler, Giovanni; Schlüter, A. Dieter; Ullner, Magnus; Borkovec, Michal
2016-07-01
The persistence length of cationic dendronized polymers adsorbed onto oppositely charged substrates was studied by atomic force microscopy (AFM) and quantitative image analysis. One can find that a decrease in the ionic strength leads to an increase of the persistence length, but the nature of the substrate and of the generation of the side dendrons influence the persistence length substantially. The strongest effects as the ionic strength is being changed are observed for the fourth generation polymer adsorbed on mica, which is a hydrophilic and highly charged substrate. However, the observed dependence on the ionic strength is much weaker than the one predicted by the Odijk, Skolnik, and Fixman (OSF) theory for semi-flexible chains. Low-generation polymers show a variation with the ionic strength that resembles the one observed for simple and flexible polyelectrolytes in solution. For high-generation polymers, this dependence is weaker. Similar dependencies are found for silica and gold substrates. The observed behavior is probably caused by different extents of screening of the charged groups, which is modified by the polymer generation, and to a lesser extent, the nature of the substrate. For highly ordered pyrolytic graphite (HOPG), which is a hydrophobic and weakly charged substrate, the electrostatic contribution to the persistence length is much smaller. In the latter case, we suspect that specific interactions between the polymer and the substrate also play an important role.The persistence length of cationic dendronized polymers adsorbed onto oppositely charged substrates was studied by atomic force microscopy (AFM) and quantitative image analysis. One can find that a decrease in the ionic strength leads to an increase of the persistence length, but the nature of the substrate and of the generation of the side dendrons influence the persistence length substantially. The strongest effects as the ionic strength is being changed are observed for the fourth
NASA Technical Reports Server (NTRS)
Straka, Sharon; Peters, Wanda; Hasegawa, Mark; Hedgeland, Randy; Petro, John; Novo-Gradac, Kevin; Wong, Alfred; Triolo, Jack; Miller, Cory
2011-01-01
A document discusses a zeolite-based sprayable molecular adsorber coating that has been developed to alleviate the size and weight issues of current ceramic puck-based technology, while providing a configuration that more projects can use to protect against degradation from outgassed materials within a spacecraft, particularly contamination-sensitive instruments. This coating system demonstrates five times the adsorption capacity of previously developed adsorber coating slurries. The molecular adsorber formulation was developed and refined, and a procedure for spray application was developed. Samples were spray-coated and tested for capacity, thermal optical/radiative properties, coating adhesion, and thermal cycling. Work performed during this study indicates that the molecular adsorber formulation can be applied to aluminum, stainless steel, or other metal substrates that can accept silicate-based coatings. The coating can also function as a thermal- control coating. This adsorber will dramatically reduce the mass and volume restrictions, and is less expensive than the currently used molecular adsorber puck design.
Müller, Katharina; Ciminelli, Virgínia S T; Dantas, Maria Sylvia S; Willscher, Sabine
2010-11-01
The sorption of the arsenite (AsO(3)(3-)) and the arsenate (AsO(4)(3-)) ions and their conjugate acids onto iron oxides is one of main processes controlling the distribution of arsenic in the environment. The present work intends to provide a large vibrational spectroscopic database for comparison of As(III) and As(V) speciation in aqueous solutions and at the iron oxide - solution interface. With this purpose, ferrihydrite, feroxyhyte, goethite and hematite were firstly synthesized, characterized in detail and used for adsorption experiments. Raman spectra were recorded from As(III) and As(V) aqueous solutions at various pH conditions selected in order to highlight arsenic speciation. Raman Scattering and Diffuse Reflectance Infrared Fourier Transform (DRIFT) studies were carried out to examine the respective As-bonding mechanisms. The collected data were curve-fitted and discussed according to molecular symmetry concepts. X-ray Absorption Near Edge Spectroscopy (XANES) was applied to confirm the oxidation state of the sorbed species. The comprehensive spectroscopic investigation contributes to a better understanding of arsenic complexation by iron oxides. PMID:20599245
Emergence of fluctuating traveling front solutions in macroscopic theory of noisy invasion fronts.
Meerson, Baruch; Vilenkin, Arkady; Sasorov, Pavel V
2013-01-01
The position of an invasion front, propagating into an unstable state, fluctuates because of the shot noise coming from the discreteness of reacting particles and stochastic character of the reactions and diffusion. A recent macroscopic theory [Meerson and Sasorov, Phys. Rev. E 84, 030101(R) (2011)] yields the probability of observing, during a long time, an unusually slow front. The theory is formulated as an effective Hamiltonian mechanics which operates with the density field and the conjugate "momentum" field. Further, the theory assumes that the most probable density field history of an unusually slow front represents, up to small corrections, a traveling front solution of the Hamilton equations. Here we verify this assumption by solving the Hamilton equations numerically for models belonging to the directed percolation universality class. PMID:23410293
Fabris, Júlio C.; Pelinson, Ana M.; Salles, Filipe de O.; Shapiro, Ilya L. E-mail: ana.pelinson@gmail.com E-mail: shapiro@fisica.ufjf.br
2012-02-01
The dynamics of metric perturbations is explored in the gravity theory with anomaly-induced quantum corrections. Our first purpose is to derive the equation for gravitational waves in this theory on the general homogeneous and isotropic background, and then verify the stability of such background with respect to metric perturbations. The problem under consideration has several interesting applications. Our first purpose is to explore the stability of the classical cosmological solutions in the theory with quantum effects taken into account. There is an interesting literature about stability of Minkowski and de Sitter spaces and here we extend the consideration also to the radiation and matter dominated cosmologies. Furthermore, we analyze the behavior of metric perturbations during inflationary period, in the stable phase of the Modified Starobinsky inflation.
{N} =2 supersymmetric Janus solutions and flows: from gauged supergravity to M theory
NASA Astrophysics Data System (ADS)
Pilch, Krzysztof; Tyukov, Alexander; Warner, Nicholas P.
2016-05-01
We investigate a family of SU(3)×U(1)×U(1)-invariant holographic flows and Janus solutions obtained from gauged {N} = 8 supergravity in four dimensions. We give complete details of how to use the uplift formulae to obtain the corresponding solutions in M theory. While the flow solutions appear to be singular from the four-dimensional perspective, we find that the eleven-dimensional solutions are much better behaved and give rise to interesting new classes of compactification geometries that are smooth, up to orbifolds, in the infra-red limit. Our solutions involve new phases in which M2 branes polarize partially or even completely into M5 branes. We derive the eleven-dimensional supersymmetries and show that the eleven-dimensional equations of motion and BPS equations are indeed satisfied as a consequence of their four-dimensional counterparts. Apart from elucidating a whole new class of eleven-dimensional Janus and flow solutions, our work provides extensive and highly non-trivial tests of the recently-derived uplift formulae.
2+1 dimensional magnetically charged solutions in Einstein-power-Maxwell theory
NASA Astrophysics Data System (ADS)
Mazharimousavi, S. Habib; Gurtug, O.; Halilsoy, M.; Unver, O.
2011-12-01
We obtain a class of magnetically charged solutions in 2+1 dimensional Einstein-Power-Maxwell theory. In the linear Maxwell limit, such horizonless solutions are known to exist. We show that in 3D geometry, black hole solutions with magnetic charge do not exist even if it is sourced by the power-Maxwell field. Physical properties of the solution with particular power k of the Maxwell field is investigated. The true timelike naked curvature singularity develops when k>1 which constitutes one of the striking effects of the power-Maxwell field. For specific power parameter k, the occurrence of a timelike naked singularity is analyzed in the quantum mechanical point of view. Quantum test fields obeying the Klein-Gordon and the Dirac equations are used to probe the singularity. It is shown that the class of static pure magnetic spacetime in the power-Maxwell theory is quantum-mechanically singular when it is probed with fields obeying Klein-Gordon and Dirac equations in the generic case.
Pure gauge configurations and tachyon solutions to string field theories equations of motion
NASA Astrophysics Data System (ADS)
Aref'eva, Irina Ya.; Gorbachev, Roman V.; Grigoryev, Dmitry A.; Khromov, Pavel N.; Maltsev, Maxim V.; Medvedev, Peter B.
2009-05-01
In construction of analytical solutions to open string field theories pure gauge configurations parameterized by wedge states play an essential role. These pure gauge configurations are constructed as perturbation expansions and to guaranty that these configurations are asymptotical solutions to equations of motion one needs to study convergence of the perturbation expansions. We demonstrate that for the large parameter of the perturbation expansion these pure gauge truncated configurations give divergent contributions to the equation of motion on the subspace of the wedge states. We perform this demonstration numerically for the pure gauge configurations related to tachyon solutions for the bosonic and NS fermionic SFT. By the numerical calculations we also show that the perturbation expansions are cured by adding extra terms. These terms are nothing but the terms necessary to make valued the Sen conjectures.
Theoretical aspects of pressure and solute denaturation of proteins: A Kirkwood-buff-theory approach
NASA Astrophysics Data System (ADS)
Ben-Naim, Arieh
2012-12-01
A new approach to the problem of pressure-denaturation (PD) and solute-denaturation (SD) of proteins is presented. The problem is formulated in terms of Le Chatelier principle, and a solution is sought in terms of the Kirkwood-Buff theory of solutions. It is found that both problems have one factor in common; the excluded volumes of the folded and the unfolded forms with respect to the solvent molecules. It is shown that solvent-induced effects operating on hydrophilic groups along the protein are probably the main reason for PD. On the other hand, the SD depends on the preferential solvation of the folded and the unfolded forms with respect to solvent and co-solvent molecules.
NASA Astrophysics Data System (ADS)
Alles, Alexandre; Buchert, Thomas; Al Roumi, Fosca; Wiegand, Alexander
2015-07-01
The relativistic generalization of the Newtonian Lagrangian perturbation theory is investigated. In previous works, the first-order trace solutions that are generated by the spatially projected gravitoelectric part of the Weyl tensor were given together with extensions and applications for accessing the nonperturbative regime. We furnish here construction rules to obtain from Newtonian solutions the gravitoelectric class of relativistic solutions, for which we give the complete perturbation and solution schemes at any order of the perturbations. By construction, these schemes generalize the complete hierarchy of solutions of the Newtonian Lagrangian perturbation theory.
Gunawan, Poernomo; Xiao, Wen; Chua, Marcus Wen Hao; Tan, Cheryl Poh-Choo; Ding, Jun; Zhong, Ziyi
2016-10-14
One-dimensional (1D) magnetic nanostructures with high thermal stability have important industrial applications, but their fabrication remains a big challenge. Herein we demonstrate a scalable approach for the preparation of stable 1D γ-Fe2O3@carbon, which is also applicable for other metal oxide-core and carbon-shell nanostructures, such as 1D TiO2@carbon. One-dimensional ferric oxyhydroxide (α-FeO(OH)) was initially prepared by a hydrothermal method, followed by carbon coating through hydrothermal treatment of the resulting metal oxide in glucose solution. After calcination in N2 gas at 500 °C and subsequent exposure to air, the initial carbon-coated 1D α-Fe2O3 was converted to 1D γ-Fe2O3@carbon, which was very stable without any observed changes even after 1.5 years of storage under ambient conditions. The materials were then used as adsorbents and found to be highly selective towards Au (III) adsorption, of which the maximum adsorption capacity is about 600 mg Au/g sorbent (1132 mg Au/g carbon). The spent sorbent containing Au after adsorption can be readily collected by applying a magnetic field due to the presence of the magnetic core, and the adsorbed Au particles are subsequently recovered after the combustion and dissolution of the sorbent. This work demonstrates not only a facile approach to the fabrication of robust 1D magnetic materials with a stable carbon shell, but also a possible cyanide-free process for the fast and selective recovery of gold from electronic waste and industrial water. PMID:27585547
Advances in numerical solutions to integral equations in liquid state theory
NASA Astrophysics Data System (ADS)
Howard, Jesse J.
Solvent effects play a vital role in the accurate description of the free energy profile for solution phase chemical and structural processes. The inclusion of solvent effects in any meaningful theoretical model however, has proven to be a formidable task. Generally, methods involving Poisson-Boltzmann (PB) theory and molecular dynamic (MD) simulations are used, but they either fail to accurately describe the solvent effects or require an exhaustive computation effort to overcome sampling problems. An alternative to these methods are the integral equations (IEs) of liquid state theory which have become more widely applicable due to recent advancements in the theory of interaction site fluids and the numerical methods to solve the equations. In this work a new numerical method is developed based on a Newton-type scheme coupled with Picard/MDIIS routines. To extend the range of these numerical methods to large-scale data systems, the size of the Jacobian is reduced using basis functions, and the Newton steps are calculated using a GMRes solver. The method is then applied to calculate solutions to the 3D reference interaction site model (RISM) IEs of statistical mechanics, which are derived from first principles, for a solute model of a pair of parallel graphene plates at various separations in pure water. The 3D IEs are then extended to electrostatic models using an exact treatment of the long-range Coulomb interactions for negatively charged walls and DNA duplexes in aqueous electrolyte solutions to calculate the density profiles and solution thermodynamics. It is found that the 3D-IEs provide a qualitative description of the density distributions of the solvent species when compared to MD results, but at a much reduced computational effort in comparison to MD simulations. The thermodynamics of the solvated systems are also qualitatively reproduced by the IE results. The findings of this work show the IEs to be a valuable tool for the study and prediction of
De Roo, Jonathan; Coucke, Sofie; Rijckaert, Hannes; De Keukeleere, Katrien; Sinnaeve, Davy; Hens, Zeger; Martins, José C; Van Driessche, Isabel
2016-03-01
Ligand exchange is a crucial step between nanocrystal synthesis and nanocrystal application. Although colloidal stability and ligand exchange in nonpolar media are readily established, the exchange of native, hydrophobic ligands with polar ligands is less systematic. In this paper, we present a versatile ligand exchange strategy for the phase transfer of carboxylic acid capped HfO2 and ZrO2 nanocrystals to various polar solvents, based on small amino acids as the incoming ligand. To gain insight in the fundamental mechanism of the exchange, we study this system with a combination of FTIR, zeta potential measurements, and solution (1)H NMR techniques. The detection of surface-associated, small ligands with solution NMR proves challenging in this respect. Tightly bound amino acids are undetectable, but their existence can be proven through displacement with other ligands in titration experiments. Alternatively, we find that methyl moieties belonging to bound species can circumvent these limitations because of their more favorable relaxation properties as a result of internal mobility. As such, our results are not limited to amino acids but to any short-chained ligand and will therefore facilitate the rigorous investigation and understanding of various ligand exchange processes. PMID:26854070
Development of the Molecular Adsorber Coating for Spacecraft and Instrument Interiors
NASA Technical Reports Server (NTRS)
Abraham, Nithin
2011-01-01
On-orbit Molecular Contamination occurs when materials outgas and deposit onto very sensitive interior surfaces of the spacecraft and instruments. The current solution, Molecular Adsorber Pucks, has disadvantages, which are reviewed. A new innovative solution, Molecular Adsorber Coating (MAC), is currently being formulated, optimized, and tested. It is a sprayable alternative composed of Zeolite-based coating with adsorbing properties.
Macromolecular Stabilization by Excluded Cosolutes: Mean Field Theory of Crowded Solutions.
Sapir, Liel; Harries, Daniel
2015-07-14
We propose a mean field theory to account for the experimentally determined temperature dependence of protein stabilization that emerges in solutions crowded by preferentially excluded cosolutes. Based on regular solution theory and employing the Flory-Huggins approximation, our model describes cosolutes in terms of their size, and two temperature-dependent microscopic parameters that correspond to macromolecule-cosolute and bulk solution interactions. The theory not only predicts a "depletion force" that can account for the experimentally observed stabilization of protein folding or association in the presence of excluded cosolutes but also predicts the full range of associated entropic and enthalpic components. Remarkably, depending on cosolute identity and in accordance with experiments, the theory describes entropically as well as enthalpically dominated depletion forces, even those disfavored by entropy. This emerging depletion attraction cannot be simply linked to molecular volumes. Instead, the relevant parameter is an effective volume that represents an interplay between solvent, cosolute, and macromolecular interactions. We demonstrate that the apparent depletion free energy is often accompanied by significant yet compensating entropy and enthalpy terms that, although having a net zero contribution to stabilization, can obscure the underlying molecular mechanism. This study underscores the importance of including often-neglected free energy terms that correspond to solvent-cosolute and cosolute-macromolecule interactions, which for most typical cosolutes are expected to be temperature dependent. We propose that experiments specifically aimed at resolving the temperature-dependence of cosolute exclusion from macromolecular surfaces should help reveal the full range of the underlying molecular mechanisms of the depletion force. PMID:26575781
Density functional theory study of SO2-adsorbed Ni(1 1 1) and hydroxylated NiO(1 1 1) surface
NASA Astrophysics Data System (ADS)
Wei, Xin; Dong, Chaofang; Chen, Zhanghua; Xiao, Kui; Li, Xiaogang
2015-11-01
Spin polarized, DFT + U periodic calculation is used as an effective way to model the adsorption process of SO2 on hydroxylated NiO(1 1 1) surface. The adsorption of atomic O and O2 on the clean Ni(1 1 1) surface is calculated to investigate the forming process of passive film. The molecular and dissociated adsorptions of H2O on NiO(1 1 1) surface are evaluated to construct defect-free hydroxylated NiO(1 1 1) surface. The adsorption of SO2 and atomic O on clean Ni(1 1 1) surface is also investigated to compare with the adsorption capacity between passive film and substrate. With respect to the single adsorption process of SO2 on defect-free hydroxylated NiO(1 1 1) surface, the effects of O vacancy of surface and atomic O closed to the surface are investigated. The calculation results show that there is no chemical adsorption of SO2 on the defect-free hydroxylated NiO(1 1 1) surface with or without atomic O. Either single SO2 or SO2 with atomic O prefer adsorbing on the hydroxylated NiO(1 1 1) surface with O vacancies. The adsorption behavior is strengthened with the increase of percentage of surface O vacancy. The existence of atomic O leads to the production of SO3 on the hydroxylated NiO(1 1 1) surface and strengthens the adsorption capacity of SO2. Furthermore, the results also reveal the relationship between the charge transfer and the adsorption energy of SO2 and atomic O on the hydroxylated NiO(1 1 1) surface and clean Ni(1 1 1) surface. We inferred that broken passive film susceptibility to corrosion compare with substrate when surface O vacancies aggregate and its concentration large enough.
Thiophilic adsorbents for RIA and ELISA procedures.
Oscarsson, S; Chaga, G; Porath, J
1991-10-25
Three types of agarose derivatives have been prepared and investigated as adsorbents for radioimmunoassay and ELISA analysis. The analytical systems were evaluated using beta 2 microglobulin as a model. After a competitive reaction between the immunocomponents in solution, the formed immune complexes were adsorbed onto the adsorbent in the presence of 0.5 M potassium sulfate in 0.1 M Tris, pH 7.5. The binding constant between the interaction site on human IgG and the adsorbent 3-(2-pyridylthio)-2-hydroxypropylagarose (Py-S-gel) was determined to be 1.5 x 10(7) M-1 and the binding capacity was 20 mg/ml gel. The immune complex was desorbed by deleting potassium sulfate from the buffer, and only 0.5% of the total applied protein remained after washing the adsorbent with 0.5 M NaOH. The same adsorbent can be used repetitively with different systems. PMID:1940385
BV analysis of tachyon fluctuation around multi-brane solutions in cubic string field theory
NASA Astrophysics Data System (ADS)
Hata, Hiroyuki
2016-05-01
We study whether the tachyon mode exists as a physical fluctuation on the 2-brane solution and on the tachyon vacuum solution in cubic open string field theory. Our analysis is based on the Batalin-Vilkovisky formalism. We first construct a set of six string states which corresponds to the set of fields and anti-fields containing the tachyon field. Whether the tachyon field can exist as a physical fluctuation is determined by the 6 × 6 matrix defining the anti-bracket in the present sector. If the matrix is degenerate/non-degenerate, the tachyon field is physical/unphysical. Calculations for the pure-gauge type solutions in the framework of the KBc algebra and using the K ɛ -regularization lead to the expected results. Namely, the matrix for the anti-bracket is degenerate/non-degenerate in the case of the 2-brane/tachyon-vacuum solution. Our analysis is not complete, in particular, in that we have not identified the four-fold degeneracy of tachyon fluctuation on the 2-brane solution, and moreover that the present six states do not satisfy the hermiticity condition.
Moment tensor solutions estimated using optimal filter theory for 51 selected earthquakes, 1980-1984
Sipkin, S.A.
1987-01-01
The 51 global events that occurred from January 1980 to March 1984, which were chosen by the convenors of the Symposium on Seismological Theory and Practice, have been analyzed using a moment tensor inversion algorithm (Sipkin). Many of the events were routinely analyzed as part of the National Earthquake Information Center's (NEIC) efforts to publish moment tensor and first-motion fault-plane solutions for all moderate- to large-sized (mb>5.7) earthquakes. In routine use only long-period P-waves are used and the source-time function is constrained to be a step-function at the source (??-function in the far-field). Four of the events were of special interest, and long-period P, SH-wave solutions were obtained. For three of these events, an unconstrained inversion was performed. The resulting time-dependent solutions indicated that, for many cases, departures of the solutions from pure double-couples are caused by source complexity that has not been adequately modeled. These solutions also indicate that source complexity of moderate-sized events can be determined from long-period data. Finally, for one of the events of special interest, an inversion of the broadband P-waveforms was also performed, demonstrating the potential for using broadband waveform data in inversion procedures. ?? 1987.
Comparison of shock structure solutions using independent continuum and kinetic theory approaches
NASA Technical Reports Server (NTRS)
Fiscko, Kurt A.; Chapman, Dean R.
1988-01-01
A vehicle traversing the atmosphere will experience flight regimes at high altitudes in which the thickness of a hypersonic shock wave is not small compared to the shock standoff distance from the hard body. When this occurs, it is essential to compute accurate flow field solutions within the shock structure. In this paper, one-dimensional shock structure is investigated for various monatomic gases from Mach 1.4 to Mach 35. Kinetic theory solutions are computed using the Direct Simulation Monte Carlo method. Steady-state solutions of the Navier-Stokes equations and of a slightly truncated form of the Burnett equations are determined by relaxation to a steady state of the time-dependent continuum equations. Monte Carlo results are in excellent agreement with published experimental data and are used as bases of comparison for continuum solutions. For a Maxwellian gas, the truncated Burnett equations are shown to produce far more accurate solutions of shock structure than the Navier-Stokes equations.
CFEST Coupled Flow, Energy & Solute Transport Version CFEST005 Theory Guide
Freedman, Vicky L.; Chen, Yousu; Gupta, Sumant K.
2005-11-01
This document presents the mathematical theory implemented in the CFEST (Coupled Flow, Energy, and Solute Transport) simulator. The simulator is a three-dimensional finite element model that can be used for evaluating flow and solute mass transport. Although the theory for thermal transport is presented in this guide, it has not yet been fully implemented in the simulator. The flow module is capable of simulating both confined and unconfined aquifer systems, as well as constant and variable density fluid flows. For unconfined aquifers, the model uses a moving boundary for the water table, deforming the numerical mesh so that the uppermost nodes are always at the water table. For solute transport, changes in concentration of a single dissolved chemical constituent are computed for advective and hydrodynamic transport, linear sorption represented by a retardation factor, and radioactive decay. Once fully implemented, transport of thermal energy in the groundwater and solid matrix of the aquifer can also be used to model aquifer thermal regimes. Mesh construction employs “collapsible”, hexahedral finite elements in a three-dimensional coordinate system. CFEST uses the Galerkin finite element method to convert the partial differential equations to algebraic form. To solve the coupled equations for momentum, solute and heat transport, either Picard or Newton-Raphson iterative schemes are used to treat nonlinearities. An upstream weighted residual finite-element method is used to solve the advective-dispersive transport and energy transfer equations, which circumvents problems of numerical oscillation problems. Matrix solutions of the flow and transport problems are performed using efficient iterative solvers available in ITPACK and PETSc, solvers that are available in the public domain. These solvers are based on the preconditioned conjugate gradient and ORTHOMIN methods for symmetric and a nonsymmetric matrices, respectively.
Guerra, Denis L.; Leidens, Victor L.; Viana, Rubia R.; Airoldi, Claudio
2010-05-15
The compound N{sup 1}-[3-(trimethoxysilyl)propyl]diethylenetriamine was anchored onto Amazon kaolinite surface by heterogeneous route. The modified and natural kaolinite samples were characterized by transmission electron microscopy, scanning electron microscopic, X-ray diffraction, and nuclear magnetic nuclei of {sup 29}Si and {sup 13}C. The well-defined peaks obtained in the {sup 13}C NMR spectrum in the 5.0-62.1 ppm region confirmed the attachment of organic functional groups as pendant chains bonded into the porous clay. The ability of these materials to remove U(VI) from aqueous solution was followed by a series of adsorption isotherms adjusted to a Sips equation at room temperature and pH 4.0. The kinetic parameters analyzed by the Lagergren and Elovich models gave a good fit for a pseudo-second order reaction with k{sub 2} values 16.0 and 25.1 mmol g{sup -1} min{sup -1} ranges for natural and modified kaolinite clays, respectively. The energetic effects caused by metal ion adsorption were determined through calorimetric titrations. - Graphical abstract: This investigation reports the use of original and modified kaolinites as alternative absorbents. The compound N-[3-trimethoxysilyl)propyl]diethylenetriamine was anchored onto Amazon kaolinite surface by heterogeneous route.
Regenerative adsorbent heat pump
NASA Technical Reports Server (NTRS)
Jones, Jack A. (Inventor)
1991-01-01
A regenerative adsorbent heat pump process and system is provided which can regenerate a high percentage of the sensible heat of the system and at least a portion of the heat of adsorption. A series of at least four compressors containing an adsorbent is provided. A large amount of heat is transferred from compressor to compressor so that heat is regenerated. The process and system are useful for air conditioning rooms, providing room heat in the winter or for hot water heating throughout the year, and, in general, for pumping heat from a lower temperature to a higher temperature.
Ghezelbash, A. M.
2010-02-15
We construct nonstationary exact solutions to five-dimensional Einstein-Maxwell-Chern-Simons theory with positive cosmological constant. The solutions are based on four-dimensional Atiyah-Hitchin space. In asymptotic regions, the solutions approach Gibbons-Perry-Sorkin monopole solutions. On the other hand, near the four-dimensional bolt of Atiyah-Hitchin space, our solutions show a bolt structure in five dimensions. The c function for the solutions shows monotonic increase in time, in agreement with the general expected behavior of the c function in asymptotically de Sitter spacetimes.
SORPTION PROPERTIES OF MODEL COMPOUNDS ON C18 ADSORBENTS
The bonded silica adsorbent Bondapak-C18 was evaluated for removing organic matter from secondary sewage effluents and from solutions of pure organic compounds. The adsorbent is hydrophobic and its behavior with water samples may be erratic unless first wet with a solvent. Howeve...
Improved implementation of Kirkwood-Buff solution theory in periodic molecular simulations.
Nichols, Joseph W; Moore, Stan G; Wheeler, Dean R
2009-11-01
Kirkwood-Buff (KB) solution theory is a means to obtain certain thermodynamic derivatives from knowledge of molecular distributions. In actual practice the required integrals over radial distribution functions suffer inaccuracies due to finite-distance truncation effects and their use in closed systems. In this work we discuss how best to minimize these inaccuracies under traditional KB theory. In addition we implement a method for calculating KB quantities in molecular simulations with periodic boundary conditions and particularly within the canonical ensemble. The method is based on a finite-Fourier-series expansion of molecular concentration fluctuations and leads to more reliable results for a given computational effort. The procedure is validated and compared to the original method for a nonideal liquid mixture of Lennard-Jones particles intended to imitate a real system, carbon tetrafluoride, and methane. PMID:20364973
Stresses in adhesively bonded joints: A closed form solution. [plate theory
NASA Technical Reports Server (NTRS)
Delale, F.; Erdogan, F.; Aydinoglu, M. N.
1980-01-01
The plane strain of adhesively bonded structures which consist of two different orthotropic adherents is considered. Assuming that the thicknesses of the adherends are constant and are small in relation to the lateral dimensions of the bonded region, the adherends are treated as plates. The transverse shear effects in the adherends and the in-plane normal strain in the adhesive are taken into account. The problem is reduced to a system of differential equations for the adhesive stresses which is solved in closed form. A single lap joint and a stiffened plate under various loading conditions are considered as examples. To verify the basic trend of the solutions obtained from the plate theory a sample problem is solved by using the finite element method and by treating the adherends and the adhesive as elastic continua. The plate theory not only predicts the correct trend for the adhesive stresses but also gives rather surprisingly accurate results.
Slender-Body Theory Based On Approximate Solution of the Transonic Flow Equation
NASA Technical Reports Server (NTRS)
Spreiter, John R.; Alksne, Alberta Y.
1959-01-01
Approximate solution of the nonlinear equations of the small disturbance theory of transonic flow are found for the pressure distribution on pointed slender bodies of revolution for flows with free-stream, Mach number 1, and for flows that are either purely subsonic or purely supersonic. These results are obtained by application of a method based on local linearization that was introduced recently in the analysis of similar problems in two-dimensional flows. The theory is developed for bodies of arbitrary shape, and specific results are given for cone-cylinders and for parabolic-arc bodies at zero angle of attack. All results are compared either with existing theoretical results or with experimental data.