Phosphate adsorption on aluminum-impregnated mesoporous silicates : surface structure and behavior of adsorbents

Science.gov (United States)

Eun Woo Shin; James S. Han; Min Jang; Soo-Hong Min; Jae Kwang Park; Roger M. Rowell

2004-01-01

Phosphorus from excess fertilizers and detergents ends up washing into lakes, creeks, and rivers. This overabundance of phosphorus causes excessive aquatic plant and algae growth and depletes the dissolved oxygen supply in the water. In this study, aluminum-impregnated mesoporous adsorbents were tested for their ability to remove phosphate from water. The surface...

Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides

DEFF Research Database (Denmark)

Siahrostami, Samira; Vojvodic, Aleksandra

2015-01-01

We study the interface between adsorbed water and stoichiometric, defect-free (110) rutile oxide surfaces of TiO2, RuO2, and IrO2 in order to understand how water influences the stabilities of the intermediates of the oxygen evolution reaction (OER). In our model the water is treated as explicitly...... molecules binding to bridging oxygens. The third chain interacts weakly and predominantly with the H2O molecules of the second layer, resembling bulk water. We find that the stability of the water layer close to the oxide surface is almost the same as the one found on flat metal surfaces, such as the Pt(111...... of RuO2 and IrO2, while it is increased by similar to 0.4 eV for TiO2....

A Novel Nanohybrid Nanofibrous Adsorbent for Water Purification from Dye Pollutants

DEFF Research Database (Denmark)

Homaeigohar, Shahin; Zillohu, Ahnaf; Abdelaziz, Ramzy

2016-01-01

In this study, we devised a novel nanofibrous adsorbent made of polyethersulfone (PES) for removal of methylene blue (MB) dye pollutant from water. The polymer shows a low isoelectric point thus at elevated pHs and, being nanofibrous, can offer a huge highly hydroxylated surface area for adsorption...

Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

KAUST Repository

Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; Koyama, Shigeru; Srinivasan, Kandadai

2009-01-01

Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations

Arsenic removal from water using a novel amorphous adsorbent developed from coal fly ash.

Science.gov (United States)

Zhang, Kaihua; Zhang, Dongxue; Zhang, Kai

2016-01-01

A novel effective adsorbent of alumina/silica oxide hydrate (ASOH) for arsenic removal was developed through simple chemical reactions using coal fly ash. The iron-modified ASOH with enhancing adsorption activity was further developed from raw fly ash based on the in situ technique. The adsorbents were characterized by X-ray diffraction, Fourier transform infrared spectrometry, scanning electron micrograph, laser particle size and Brunauer-Emmet-Teller surface area. The results show that the adsorbents are in amorphous and porous structure, the surface areas of which are 8-12 times that of the raw ash. The acidic hydrothermal treatment acts an important role in the formation of the amorphous structure of ASOH rather than zeolite crystal. A series of adsorption experiments for arsenic on them were studied. ASOH can achieve a high removal efficiency for arsenic of 96.4% from water, which is more than 2.5 times that of the raw ash. Iron-modified ASOH can enhance the removal efficiency to reach 99.8% due to the in situ loading of iron (Fe). The condition of synthesis pH = 2-4 is better for iron-modified ASOH to adsorb arsenic from water.

Synthesis and properties of a high-capacity iron oxide adsorbent for fluoride removal from drinking water

Science.gov (United States)

Zhang, Chang; Li, Yingzhen; Wang, Ting-Jie; Jiang, Yanping; Fok, Jason

2017-12-01

A novel iron oxide adsorbent with a high fluoride adsorption capacity was prepared by a facile wet-chemical precipitation method and ethanol treatment. The ethanol-treated adsorbent was amorphous and had a high specific surface area. The adsorption capacity of the treated adsorbent was much higher than that of untreated adsorbent. The Langmuir maximum adsorption capacity of the adsorbent prepared at a low final precipitation pH (≤9.0) and treated with ethanol reached 60.8 mg/g. A fast adsorption rate was obtained, and 80% of the adsorption equilibrium capacity was achieved within 2 min. The adsorbent had high fluoride-removal efficiency for water in a wide initial pH range of 3.5-10.3 and had a high affinity for fluoride in the presence of common co-anions. The ethanol treatment resulted in structure transformation of the adsorbent by inhibiting the crystallization of the nano-precipitates. The adsorption was confirmed to be ion exchange between fluoride ions and the hydroxyl groups on the adsorbent surface.

Structure and optical properties of water covered Cu(110) surfaces

International Nuclear Information System (INIS)

Baghbanpourasl, A.

2014-01-01

In this thesis structural and optical properties of the water covered Cu(110) surface is studied using density functional theory within independent particle approximation. Several stable adsorption structures are studied such as water clusters (monomer, dimer, trimer, tetramer and pentamer), different hexagonal monolayers, partially dissociated water monolayers and three different types of chains among them a chain that consists of pentagon rings. For a copper surface in contact with water vapor, the energetically stable H 2 O/OH adsorbed structures are compared thermodynamically using adsorption free energy (change of free energy due to adsorption). Several phase diagrams with respect to temperature and pressure are calculated. It is found that among the large number of energetically stable structures (i.e. structures with positive adsorption energy ) only limited number of them are thermodynamically stable. These thermodynamically stable structures are the class of almost energetically degenerate hexagonal overlayers, one type of partially dissociated water structure that contains Bjerrum defect in the hydrogen bond network and pentagon chain. Since hydrogen atoms are light weight their vibrational effects can be considerable. Zero point vibration decreases the adsorption energy up to 0.1 eV and free energy of adsorbed molecules arising from vibrational degree of freedom can go up to -0.2 eV per adsorbed molecule at 500 Kelvin. However zero point energy and vibrational free energy of adsorbed molecules do not alter relative stability of the adsorbed structures. To account for the long range van der Waals interactions, a semi-empirical scheme is applied. Reflectance Anisotropy Spectroscopy (RAS) is a fast and non destructive optical method that can be used to prob the surface in different conditions such as vacuum and electro-chemical environment. Elasto-optic coeficients of bulk are calculated from first principles and the change of the RA spectrum of the bare Cu

Water adsorbate phases on ZnO and impact of vapor pressure on the equilibrium shape of nanoparticles

Science.gov (United States)

Kenmoe, Stephane; Biedermann, P. Ulrich

2018-02-01

ZnO nanoparticles are used as catalysts and have potential applications in gas-sensing and solar energy conversion. A fundamental understanding of the exposed crystal facets, their surface chemistry, and stability as a function of environmental conditions is essential for rational design and improvement of synthesis and properties. We study the stability of water adsorbate phases on the non-polar low-index (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces from low coverage to multilayers using ab initio thermodynamics. We show that phonon contributions and the entropies due to a 2D lattice gas at low coverage and multiple adsorbate configurations at higher coverage have an important impact on the stability range of water adsorbate phases in the (T,p) phase diagram. Based on this insight, we compute and analyze the possible growth mode of water films for pressures ranging from UHV via ambient conditions to high pressures and the impact of water adsorption on the equilibrium shape of nanoparticles in a humid environment. A 2D variant of the Wulff construction shows that the (10 1 ¯ 0 ) and (11 2 ¯ 0 ) surfaces coexist on 12-faceted prismatic ZnO nanoparticles in dry conditions, while in humid environment, the (10 1 ¯ 0 ) surface is selectively stabilized by water adsorption resulting in hexagonal prisms.

Kinetics of conformational changes of fibronectin adsorbed onto model surfaces.

Science.gov (United States)

Baujard-Lamotte, L; Noinville, S; Goubard, F; Marque, P; Pauthe, E

2008-05-01

Fibronectin (FN), a large glycoprotein found in body fluids and in the extracellular matrix, plays a key role in numerous cellular behaviours. We investigate FN adsorption onto hydrophilic bare silica and hydrophobic polystyrene (PS) surfaces using Fourier transform infrared spectroscopy-attenuated total reflection (FTIR-ATR) in aqueous medium. Adsorption kinetics using different bulk concentrations of FN were followed for 2h and the surface density of adsorbed FN and its time-dependent conformational changes were determined. When adsorption occurs onto the hydrophilic surface, FN molecules keep their native conformation independent of the adsorption conditions, but the amount of adsorbed FN increases with time and the bulk concentration. Although the protein surface density is the same on the hydrophobic PS surface, this has a strong impact on the average conformation of the adsorbed FN layer. Indeed, interfacial hydration changes induced by adsorption onto the hydrophobic surface lead to a decrease in unhydrated beta-sheet content and cause an increase in hydrated beta-strand and hydrated random domain content of adsorbed FN. This conformational change is mainly dependent on the bulk concentration. Indeed, at low bulk concentrations, the secondary structures of adsorbed FN molecules undergo strong unfolding, allowing an extended and hydrated conformation of the protein. At high bulk concentrations, the molecular packing reduces the unfolding of the stereoregular structures of the FN molecules, preventing stronger spreading of the protein.

An in situ XPS study of L-cysteine co-adsorbed with water on polycrystalline copper and gold

Science.gov (United States)

Jürgensen, Astrid; Raschke, Hannes; Esser, Norbert; Hergenröder, Roland

2018-03-01

The interactions of biomolecules with metal surfaces are important because an adsorbed layer of such molecules introduces complex reactive functionality to the substrate. However, studying these interactions is challenging: they usually take place in an aqueous environment, and the structure of the first few monolayers on the surface is of particular interest, as these layers determine most interfacial properties. Ideally, this requires surface sensitive analysis methods that are operated under ambient conditions, for example ambient pressure x-ray photoelectron spectroscopy (AP-XPS). This paper focuses on an AP-XPS study of the interaction of water vapour and l-Cysteine on polycrystalline copper and gold surfaces. Thin films of l-Cysteine were characterized with XPS in UHV and in a water vapour atmosphere (P ≤ 1 mbar): the structure of the adsorbed l-Cysteine layer depended on substrate material and deposition method, and exposure of the surface to water vapour led to the formation of hydrogen bonds between H2O molecules and the COO- and NH2 groups of adsorbed l-Cysteine zwitterions and neutral molecules, respectively. This study also proved that it is possible to investigate monolayers of biomolecules in a gas atmosphere with AP-XPS using a conventional laboratory Al-Kα x-ray source.

Infrared Analysis Of Enzymes Adsorbed Onto Model Surfaces

Science.gov (United States)

Story, Gloria M.; Rauch, Deborah S.; Brode, Philip F.; Marcott, Curtis A.

1989-12-01

The adsorption of the enzymes, subtilisin BPN' and lysozyme, onto model surfaces was examined using attenuated total reflectance (ATR) infrared (IR) spectroscopy. Using a cylindrical internal reflection (CIRcle) cell with a Germanium (Ge) internal reflection element (IRE), model hydrophilic surfaces were made by plasma cleaning the IRE and model hydrophobic surfaces were made by precoating the IRE with a thin film of polystyrene. Gas chromatography (GC)-IR data collection software was used to monitor adsorption kinetics during the first five minutes after injection of the enzyme into the CIRcle cell. It was found that for both lysozyme and BPN', most of the enzyme that was going to adsorb onto the model surface did so within ten seconds after injection. Nearly an order-of-magnitude more BPN' adsorbed on the hydrophobic Ge surface than the hydrophilic one, while lysozyme adsorbed somewhat more strongly to the hydrophilic Ge surface. Overnight, the lysozyme layer continued to increase in thickness, while BPN' maintained its initial coverage. The appearance of carboxylate bands in some of the adsorbed BPN' spectra suggests the occurrence of peptide bond hydrolysis. A Au/Pd coating on the CIRcle cell o-rings had a significant effect on the adsorption of BPN'. (This coating was applied in an attempt to eliminate interfering Teflon absorption bands.) An apparent electrochemical reaction occurred, involving BPN', Ge, Au/Pd, and the salt solution used to stabilize BPN'. The result of this reaction was enhanced adsorption of the enzyme around the coated o-rings, etching of the Ge IRE at the o-ring site, and some autolysis of the enzyme. No such reaction was observed with lysozyme.

Disinfection of water with new chitosan-modified hybrid clay composite adsorbent

Directory of Open Access Journals (Sweden)

Emmanuel I. Unuabonah

2017-08-01

Full Text Available Hybrid clay composites were prepared from Kaolinite clay and Carica papaya seeds via modification with chitosan, Alum, NaOH, and ZnCl2 in different ratios, using solvothermal and surface modification techniques. Several composite adsorbents were prepared, and the most efficient of them for the removal of gram negative enteric bacteria was the hybrid clay composite that was surface-modified with chitosan, Ch-nHYCA1:5 (Chitosan: nHYCA = 1:5. This composite adsorbent had a maximum adsorption removal value of 4.07 × 106 cfu/mL for V. cholerae after 120 min, 1.95 × 106 cfu/mL for E. coli after ∼180 min and 3.25 × 106 cfu/mL for S. typhi after 270 min. The Brouers-Sotolongo model was found to better predict the maximum adsorption capacity (qmax of Ch-nHYCA1:5 composite adsorbent for the removal of E. coli with a qmax of 103.07 mg/g (7.93 × 107 cfu/mL and V. cholerae with a qmax of 154.18 mg/g (1.19 × 108 cfu/mL while the Sips model best described S. typhi adsorption by Ch-nHYCA1:5 composite with an estimated qmax of 83.65 mg/g (6.43 × 107 cfu/mL. These efficiencies do far exceed the alert/action levels of ca. 500 cfu/mL in drinking water for these bacteria. The simplicity of the composite preparation process and the availability of raw materials used for its preparation underscore the potential of this low-cost chitosan-modified composite adsorbent (Ch-nHYCA1:5 for water treatment.

Stochastic Description of Activated Surface Diffusion with Interacting Adsorbates

Science.gov (United States)

Martínez-Casado, Ruth; Vega, José Luis; Sanz, Ángel S.; Miret-Artés, Salvador

Activated surface diffusion on metal surfaces is receiving much attention both experimentally and theoretically. One of the main theoretical problems in this field is to explain the line-shape broadening observed when the surface coverage is increased. Recently, we have proposed a fully stochastic model, the interacting single adsorbate (ISA) model, aimed at explaining and understanding this type of experiments, which essentially consists of considering the classical Langevin formulation with two types of noise forces: (i) a Gaussian white noise accounting for the substrate friction, and (ii) a shot noise simulating the interacting adsorbates at different coverages. No interaction potential between adsorbates is included because any trace of microscopic interaction seems to be wiped out in a Markovian regime. This model describes in a good approximation, and at a very low computational cost, the line-shape broadening observed experimentally. Furthermore, its mathematical simplicity also allows to derive some analytical expressions which are of much help in the interpretation of the physics underlying surface diffusion processes.

Structures of adsorbed CO on atomically smooth and on stepped sngle crystal surfaces

International Nuclear Information System (INIS)

Madey, T.E.; Houston, J.E.

1980-01-01

The structures of molecular CO adsorbed on atomically smooth surfaces and on surfaces containing monatomic steps have been studied using the electron stimulated desorption ion angular distribution (ESDIAD) method. For CO adsorbed on the close packed Ru(001) and W(110) surfaces, the dominant bonding mode is via the carbon atom, with the CO molecular axis perpendicular to the plane of the surface. For CO on atomicaly rough Pd(210), and for CO adsorbed at step sites on four different surfaces vicinal to W(110), the axis of the molecule is tilted or inclined away from the normal to the surface. The ESDIAD method, in which ion desorption angles are related to surface bond angles, provides a direct determination of the structures of adsorbed molecules and molecular complexes on surfaces

Retention of radium from thermal waters on sand filters and adsorbents

Energy Technology Data Exchange (ETDEWEB)

Elejalde, C. [Dpto. de Ingenieria Nuclear y Mecanica de Fluidos, Escuela Tecnica Superior de Ingenieria, Alameda de Urquijo s/n, 48013 Bilbao (Spain)]. E-mail: inpelsac@bi.ehu.es; Herranz, M. [Dpto. de Ingenieria Nuclear y Mecanica de Fluidos, Escuela Tecnica Superior de Ingenieria, Alameda de Urquijo s/n, 48013 Bilbao (Spain); Idoeta, R. [Dpto. de Ingenieria Nuclear y Mecanica de Fluidos, Escuela Tecnica Superior de Ingenieria, Alameda de Urquijo s/n, 48013 Bilbao (Spain); Legarda, F. [Dpto. de Ingenieria Nuclear y Mecanica de Fluidos, Escuela Tecnica Superior de Ingenieria, Alameda de Urquijo s/n, 48013 Bilbao (Spain); Romero, F. [Dpto. de Ingenieria Quimica y del Medio Ambiente, Escuela Tecnica Superior de Ingenieria, Alameda de Urquijo s/n, 48013 Bilbao (Spain); Baeza, A. [Dpto. de Fisica, Facultad de Veterinaria, Universidad de Extremadura, Avda. Universidad s/n, 10071 Caceres (Spain)

2007-06-18

This study was focussed on laboratory experiences of retention of radium from one thermal water on sand filters and adsorbents, trying to find an easy method for the elimination in drinkable waters polluted with this natural radio-nuclide. A thermal water from Cantabria (Spain) was selected for this work. Retention experiences were made with columns of 35 mm of diameter containing 15 cm layers of washed river sand or 4 cm layers of zeolite A3, passing known volumes of thermal water at flows between 4 and 40 ml/min with control of the retained radium by determining the amount in the water after the treatment. The statistical analysis of data suggests that retention depends on the flow and the volume passed through the columns. As additional adsorbents were used kaolin and a clay rich in illite. Jar-test experiences were made agitating known weights of adsorbents with the selected thermal water, with addition of flocculants and determination of radium in filtrated water after the treatment. Data suggest that retention is related to the weight of adsorbent used, but important quantities of radium seem remain in solution for higher amounts of adsorbents, according to the statistical treatment of data. The elution of retained radium from columns or adsorbents, previously used in experiences, should be the aim of a future research.

Retention of radium from thermal waters on sand filters and adsorbents

International Nuclear Information System (INIS)

Elejalde, C.; Herranz, M.; Idoeta, R.; Legarda, F.; Romero, F.; Baeza, A.

2007-01-01

This study was focussed on laboratory experiences of retention of radium from one thermal water on sand filters and adsorbents, trying to find an easy method for the elimination in drinkable waters polluted with this natural radio-nuclide. A thermal water from Cantabria (Spain) was selected for this work. Retention experiences were made with columns of 35 mm of diameter containing 15 cm layers of washed river sand or 4 cm layers of zeolite A3, passing known volumes of thermal water at flows between 4 and 40 ml/min with control of the retained radium by determining the amount in the water after the treatment. The statistical analysis of data suggests that retention depends on the flow and the volume passed through the columns. As additional adsorbents were used kaolin and a clay rich in illite. Jar-test experiences were made agitating known weights of adsorbents with the selected thermal water, with addition of flocculants and determination of radium in filtrated water after the treatment. Data suggest that retention is related to the weight of adsorbent used, but important quantities of radium seem remain in solution for higher amounts of adsorbents, according to the statistical treatment of data. The elution of retained radium from columns or adsorbents, previously used in experiences, should be the aim of a future research

Raman spectroscopy of adsorbed water in clays: first attempt at band assignment

Energy Technology Data Exchange (ETDEWEB)

Ligny, Dominique de; Guillaud, Emmanuel [Institut Lumiere Matiere, CNRS, Universite Lyon 1, 12 rue Ada Byron, 69622 Villeurbanne (France); Gailhanou, Helene; Blanc, Philippe [BRGM, Service D3E, 3 avenue Claude Guillemin, 45000 Orleans (France)

2013-07-01

Raman spectroscopy can be a useful tool to determine water content within clays, or even in highly saturated solutions. The following assignment is proposed for the OH region of SAz-2: the two large bands at 3260 and 3475 cm{sup -1} are assigned to water in pores, the first one to water molecules coordinated to the interlayer cations, and the second one to structural Al-OH groups The band at 3600 cm{sup -1} is therefore more likely related to adsorbed water on the clay surface. Simple intensity ratios of these different bands give good estimates of water content. (authors)

Instability of confined water films between elastic surfaces

NARCIS (Netherlands)

de Beer, Sissi; 't Mannetje, Dieter; Zantema, Sietske; Mugele, Friedrich

2010-01-01

We investigated the dynamics of nanometer thin water films at controlled ambient humidity adsorbed onto two atomically smooth mica sheets upon rapidly bringing the surfaces into contact. Using a surface forces apparatus (SFA) in imaging mode, we found that the water films break up into a

Molecular analysis of petroleum derived compounds that adsorb onto gas hydrate surfaces

International Nuclear Information System (INIS)

Borgund, Anna E.; Hoiland, Sylvi; Barth, Tanja; Fotland, Per; Askvik, Kjell M.

2009-01-01

Field observations have shown that some streams of water, gas and crude oil do not form gas hydrate plugs during petroleum production even when operating within thermodynamic conditions for hydrate formation. Also, when studied under controlled laboratory conditions, some oils are found to form hydrate dispersed systems whereas others form plugs. Oils with low tendency to form hydrate plugs are believed to contain natural hydrate plug inhibiting components (NICs) that adsorb onto the hydrate surface, making them less water-wet and preventing the particles from agglomerating into large hydrate clusters. The molecular structure of the NICs is currently unknown. In this work, hydrate adsorbing components were extracted from crude oils using freon hydrates as an extraction phase. The fractions were found to be enriched in polar material, and more polar material is associated with hydrates generated in biodegraded crude oils than in non-biodegraded oils. Various fractionation schemes and analytical techniques have been applied in the search for molecular characterisation. The average molecular weights were found to be approximately 500 g/mole. GC-MS chromatograms show a large UCM (Unresolved Complex Mixture). Thus, GC-MS has a limited potential for identification of compounds. A commercial biosurfactant was used as a model compound in the search for similar structures in the extracts. The results from analysis of the hydrate adsorbing components suggest that the type and structure are more important for hydrate morphology than the amount of material adsorbed.

Characteristics of pellet-type adsorbents prepared from water treatment sludge and their effect on trimethylamine removal

Energy Technology Data Exchange (ETDEWEB)

Bae, Junghyun; Park, Nayoung; Kim, Goun; Lee, Choul Ho; Jeon, Jong-Ki [Kongju National University, Cheonan (Korea, Republic of); Park, Young-Kwon [University of Seoul, Seoul (Korea, Republic of)

2014-04-15

We optimized the preparation method of pellet-type adsorbents based on alum sludge with the aim of developing a high-performance material for the adsorption of gaseous trimethylamine. Effects of calcination temperature on physical and chemical properties of pellet-type adsorbents were investigated. The porous structure and surface characteristics of the adsorbents were studied using N{sub 2} adsorption and desorption isotherms, scanning electron microscope, X-ray diffraction, temperature-programmed desorption of ammonia, and infrared spectroscopy of adsorbed pyridine. The adsorbents obtained from the water treatment sludge are microporous materials with well-developed mesoporosity. The pellet-type adsorbent calcined at 500 .deg. C had the highest percentage of micropore volume and the smallest average pore diameter. The highest adsorption capacity in trimethylamine removal attained over the pellet-type adsorbent calcined at 500 .deg. C can be attributed to the highest number of acid sites as well as the well-developed microporosity.

Mathematical Modelling of Nitrate Removal from Water Using a Submerged Membrane Adsorption Hybrid System with Four Adsorbents

Directory of Open Access Journals (Sweden)

Mahatheva Kalaruban

2018-01-01

Full Text Available Excessive concentrations of nitrate in ground water are known to cause human health hazards. A submerged membrane adsorption hybrid system that includes a microfilter membrane and four different adsorbents (Dowex 21K XLT ion exchange resin (Dowex, Fe-coated Dowex, amine-grafted (AG corn cob and AG coconut copra operated at four different fluxes was used to continuously remove nitrate. The experimental data obtained in this study was simulated mathematically with a homogeneous surface diffusion model that incorporated membrane packing density and membrane correlation coefficient, and applied the concept of continuous flow stirred tank reactor. The model fit with experimental data was good. The surface diffusion coefficient was constant for all adsorbents and for all fluxes. The mass transfer coefficient increased with flux for all adsorbents and generally increased with the adsorption capacity of the adsorbents.

Linear response theory of activated surface diffusion with interacting adsorbates

Energy Technology Data Exchange (ETDEWEB)

Marti' nez-Casado, R. [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A.S.; Vega, J.L. [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain); Rojas-Lorenzo, G. [Instituto Superior de Tecnologi' as y Ciencias Aplicadas, Ave. Salvador Allende, esq. Luaces, 10400 La Habana (Cuba); Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain); Miret-Artes, S., E-mail: s.miret@imaff.cfmac.csic.es [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain)

2010-05-12

Graphical abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed. - Abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed.

Heterogeneous Reactions of Limonene on Mineral Dust: Impacts of Adsorbed Water and Nitric Acid.

Science.gov (United States)

Lederer, Madeline R; Staniec, Allison R; Coates Fuentes, Zoe L; Van Ry, Daryl A; Hinrichs, Ryan Z

2016-12-08

Biogenic volatile organic compounds (BVOCs), including the monoterpene limonene, are a major source of secondary organic aerosol (SOA). While gas-phase oxidation initiates the dominant pathway for BVOC conversion to SOA, recent studies have demonstrated that biogenic hydrocarbons can also directly react with acidic droplets. To investigate whether mineral dust may facilitate similar reactive uptake of biogenic hydrocarbons, we studied the heterogeneous reaction of limonene with mineral substrates using condensed-phase infrared spectroscopy and identified the formation of irreversibly adsorbed organic products. For kaolinite, Arizona Test Dust, and silica at 30% relative humidity, GC-MS identified limonene-1,2-diol as the dominant product with total organic surface concentrations on the order of (3-5) × 10 18 molecules m -2 . Experiments with 18 O-labeled water support a mechanism initiated by oxidation of limonene by surface redox sites forming limonene oxide followed by water addition to the epoxide to form limonenediol. Limonene uptake on α-alumina, γ-alumina, and montmorillonite formed additional products in high yield, including carveol, carvone, limonene oxide, and α-terpineol. To model tropospheric processing of mineral aerosol, we also exposed each mineral substrate to gaseous nitric acid prior to limonene uptake and identified similar surface adsorbed products that were formed at rates 2 to 5 times faster than without nitrate coatings. The initial rate of reaction was linearly dependent on gaseous limonene concentration between 5 × 10 12 and 5 × 10 14 molecules cm -3 (0.22-20.5 ppm) consistent with an Eley-Rideal-type mechanism in which gaseous limonene reacts directly with reactive surface sites. Increasing relative humidity decreased the amount of surface adsorbed products indicating competitive adsorption of surface adsorbed water. Using a laminar flow tube reactor we measured the uptake coefficient for limonene on kaolinite at 25% RH to range from

Lotus Dust Mitigation Coating and Molecular Adsorber Coating

Science.gov (United States)

O'Connor, Kenneth M.; Abraham, Nithin S.

2015-01-01

NASA Goddard Space Flight Center has developed two unique coating formulations that will keep surfaces clean and sanitary and contain contaminants.The Lotus Dust Mitigation Coating, modeled after the self-cleaning, water-repellant lotus leaf, disallows buildup of dust, dirt, water, and more on surfaces. This coating, has been successfully tested on painted, aluminum, glass, silica, and some composite surfaces, could aid in keeping medical assets clean.The Molecular Adsorber Coating is a zeolite-based, sprayable molecular adsorber coating, designed to prevent outgassing in materials in vacuums. The coating works well to adsorb volatiles and contaminates in manufacturing and processing, such as in pharmaceutical production. The addition of a biocide would also aid in controlling bacteria levels.

Adherence of platelets to in situ albumin-binding surfaces under flow conditions: role of surface-adsorbed albumin

International Nuclear Information System (INIS)

Guha Thakurta, Sanjukta; Miller, Robert; Subramanian, Anuradha

2012-01-01

Surfaces that preferentially bind human serum albumin (HSA) were generated by grafting albumin-binding linear peptide (LP1) onto silicon surfaces. The research aim was to evaluate the adsorption pattern of proteins and the adhesion of platelets from platelet-poor plasma and platelet-rich plasma, respectively, by albumin-binding surfaces under physiological shear rate (96 and 319 s −1 ) conditions. Bound proteins were quantified using enzyme-linked immunosorbent assays (ELISAs) and two-dimensional gel electrophoresis. A ratio of ∼1000:100:1 of adsorbed HSA, human immunoglobulin (HIgG) and human fibrinogen (HFib) was noted, respectively, on LP1-functionalized surfaces, and a ratio of ∼5:2:1 of the same was noted on control surfaces, as confirmed by ELISAs. The surface-adsorbed von Willebrand factor was undetectable by sensitive ELISAs. The amount of adhered platelets correlated with the ratio of adsorbed HSA/HFib. Platelet morphology was more rounded on LP1-functionalized surfaces when compared to control surfaces. The platelet adhesion response on albumin-binding surfaces can be explained by the reduction in the co-adsorption of other plasma proteins in a surface environment where there is an excess of albumin molecules, coupled with restrictions in the conformational transitions of other surface-adsorbed proteins into hemostatically active forms. (paper)

Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach.

Science.gov (United States)

Kenmoe, Stephane; Lisovski, Oleg; Piskunov, Sergei; Bocharov, Dmitry; Zhukovskii, Yuri F; Spohr, Eckhard

2018-04-11

We use ab initio molecular dynamics simulations to study the adsorption of thin water films with 1 and 2 ML coverage on anatase TiO 2 (001) nanotubes. The nanotubes are modeled as 2D slabs, which consist of partially constrained and partially relaxed structural motifs from nanotubes. The effect of anion doping on the adsorption is investigated by substituting O atoms with N and S impurities on the nanotube slab surface. Due to strain-induced curvature effects, water adsorbs molecularly on defect-free surfaces via weak bonds on Ti sites and H bonds to surface oxygens. While the introduction of an S atom weakens the interaction of the surface with water, which adsorbs molecularly, the presence of an N impurity renders the surface more reactive to water, with a proton transfer from the water film and the formation of an NH group at the N site. At 2 ML coverage, a further surface-assisted proton transfer takes place in the water film, resulting in the formation of an OH - group and an NH 2 + cationic site on the surface.

Structure of solid surfaces and of adsorbates by low-energy electron diffraction

International Nuclear Information System (INIS)

Somorjai, G.A.

1977-01-01

LEED theory has developed to the point where the diffraction beam intensities can be computed using the locations of the surface atoms as the only adjustable parameters. The position of atoms in many clean monatomic solid surfaces and the surface structures of ordered monolayers of adsorbed atoms have been determined this way. Surface crystallography studies are now extended to small hydrocarbon molecules that are adsorbed on metal surfaces. These studies are reviewed

Structure of mixed β-lactoglobulin/pectin adsorbed layers at air/water interfaces; a spectroscopy study

NARCIS (Netherlands)

Ganzevles, R.A.; Fokkink, R.; Vliet, T. van; Cohen Stuart, M.A.; Jongh, H.H.J. de

2008-01-01

Based on earlier reported surface rheological behaviour two factors appeared to be important for the functional behaviour of mixed protein/polysaccharide adsorbed layers at air/water interfaces: (1) protein/polysaccharide mixing ratio and (2) formation history of the layers. In this study complexes

Structure of mixed Beta-lactoglobulin/pectin adsorbed layers at air/water interfaces; a spectroscopy study

NARCIS (Netherlands)

Ganzevles, R.A.; Fokkink, R.G.; Vliet, van T.; Cohen Stuart, M.A.; Jongh, de H.H.J.

2008-01-01

Based on earlier reported surface rheological behaviour two factors appeared to be important for the functional behaviour of mixed protein/polysaccharide adsorbed layers at air/water interfaces: (1) protein/polysaccharide mixing ratio and (2) formation history of the layers. In this study complexes

Surface characterization of adsorbed asphaltene on a stainless steel surface

International Nuclear Information System (INIS)

Abdallah, W.A.; Taylor, S.D.

2007-01-01

X-ray photoelectron spectroscopy was used to characterize a single layer of adsorbed asphaltene on a metallic surface. The deposits were created by immersing a stainless steel disc into a dilute asphaltene solution with either toluene or dichloromethane as the solvent, although the toluene solution allowed for better control of the adsorbed asphaltene layer and less atmospheric oxygen contamination. The analyses for C 1s, S 2p 3/2 , N 1s and O 1s photoemission peaks indicated that different functional groups are present in the asphaltene layer including carboxylic, pyrrolic, pyridininc, thiophenic and sulfite, with slight differences in their binding energies

Electronic spectral properties of surfaces and adsorbates and atom-adsorbate van der Waals interactions

International Nuclear Information System (INIS)

Lovric, D.; Gumhalter, B.

1988-01-01

The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments

A Novel Nanohybrid Nanofibrous Adsorbent for Water Purification from Dye Pollutants.

Science.gov (United States)

Homaeigohar, Shahin; Zillohu, Ahnaf Usman; Abdelaziz, Ramzy; Hedayati, Mehdi Keshavarz; Elbahri, Mady

2016-10-19

In this study, we devised a novel nanofibrous adsorbent made of polyethersulfone (PES) for removal of methylene blue (MB) dye pollutant from water. The polymer shows a low isoelectric point thus at elevated pHs and, being nanofibrous, can offer a huge highly hydroxylated surface area for adsorption of cationic MB molecules. As an extra challenge, to augment the adsorbent's properties in terms of adsorption capacity in neutral and acidic conditions and thermal stability, vanadium pentoxide (V₂O₅) nanoparticles were added to the nanofibers. Adsorption data were analyzed according to the Freundlich adsorption model. The thermodynamic parameters verified that only at basic pH is the adsorption spontaneous and in general the process is entropy-driven and endothermic. The kinetics of the adsorption process was evaluated by the pseudo-first- and pseudo-second-order models. The latter model exhibited the highest correlation with data. In sum, the adsorbent showed a promising potential for dye removal from industrial dyeing wastewater systems, especially when envisaging their alkaline and hot conditions.

Scattering of atoms by molecules adsorbed at solid surfaces

International Nuclear Information System (INIS)

Parra, Zaida.

1988-01-01

The formalism of collisional time-correlation functions, appropriate for scattering by many-body targets, is implemented to study energy transfer in the scattering of atoms and ions from molecules adsorbed on metal surfaces. Double differential cross-sections for the energy and angular distributions of atoms and ions scattered by a molecule adsorbed on a metal surface are derived in the limit of impulsive collisions and within a statistical model that accounts for single and double collisions. They are found to be given by the product of an effective cross-section that accounts for the probability of deflection into a solid angle times a probability per unit energy transfer. A cluster model is introduced for the vibrations of an adsorbed molecule which includes the molecular atoms, the surface atoms binding the molecule, and their nearest neighbors. The vibrational modes of CO adsorbed on a Ni(001) metal surface are obtained using two different cluster models to represent the on-top and bridge-bonding situations. A He/OC-Ni(001) potential is constructed from a strongly repulsive potential of He interacting with the oxygen atom in the CO molecule and a van der Waals attraction accounting for the He interaction with the free Ni(001) surface. A potential is presented for the Li + /OC-Ni(001) where a coulombic term is introduced to account for the image force. Trajectory studies are performed and analyzed in three dimensions to obtain effective classical cross-sections for the He/OC-Ni(001) and Li + /OC-Ni(001) systems. Results for the double differential cross-sections are presented as functions of scattering angles, energy transfer and collisional energy. Temperature dependence results are also analyzed. Extensions of the approach and inclusion of effects such as anharmonicity, collisions at lower energies, and applications of the approach to higher coverages are discussed

Toward an effective adsorbent for polar pollutants: Formaldehyde adsorption by activated carbon

International Nuclear Information System (INIS)

Lee, Kyung Jin; Miyawaki, Jin; Shiratori, Nanako; Yoon, Seong-Ho; Jang, Jyongsik

2013-01-01

Highlights: • Activated carbon fiber with mild activation condition is useful as adsorbent for polar pollutants. • Diverse variations are investigated for developing an effective adsorbent. • Surface functional group is the most important factor for capacity as a adsorbent. • Surface functional groups on ACFs are investigated using micro-ATR FTIR. -- Abstract: Due to increasing concerns about environmental pollutants, the development of an effective adsorbent or sensitive sensor has been pursued in recent years. Diverse porous materials have been selected as promising candidates for detecting and removing harmful materials, but the most appropriate pore structure and surface functional groups, both important factors for effective adsorbency, have not yet been fully elucidated. In particular, there is limited information relating to the use of activated carbon materials for effective adsorbent of specific pollutants. Here, the pore structure and surface functionality of polyacrylonitrile-based activated carbon fibers were investigated to develop an efficient adsorbent for polar pollutants. The effect of pore structure and surface functional groups on removal capability was investigated. The activated carbons with higher nitrogen content show a great ability to absorb formaldehyde because of their increased affinity with polar pollutants. In particular, nitrogen functional groups that neighbor oxygen atoms play an important role in maximizing adsorption capability. However, because there is also a similar increase in water affinity in adsorbents with polar functional groups, there is a considerable decrease in adsorption ability under humid conditions because of preferential adsorption of water to adsorbents. Therefore, it can be concluded that pore structures, surface functional groups and the water affinity of any adsorbent should be considered together to develop an effective and practical adsorbent for polar pollutants. These studies can provide vital

Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO3 Nanotubes.

Science.gov (United States)

Bandura, Andrei V; Kuruch, Dmitry D; Evarestov, Robert A

2015-07-20

We have studied the adsorption of water molecules on the inner and outer surfaces of nanotubes generated by rolling (001) layers of SrTiO3 cubic crystals. The stability and the atomic and electronic structures of the adsorbed layers are determined by using hybrid density functional theory. The absorption energy and the preferred adsorbate structure are essentially governed by the nature of the surface of the nanotube. Dissociative adsorption prevails on the outer nanotube surfaces. The stability of the adsorbed layers on the inner surfaces is related to the possibility of the formation of hydrogen bonds between water molecules and surface oxygen atoms, and depends on the surface curvature. The presence of water molecules on the inner surface of the nanotubes leads to an increase of the electronic band gap. Externally TiO2 -terminated nanotubes could be used for the photocatalytic decomposition of water by ultraviolet radiation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of plutonium dioxide water surface coverage on the generation of hydrogen and oxygen

Energy Technology Data Exchange (ETDEWEB)

Veirs, Douglas K. [Los Alamos National Laboratory; Berg, John M. [Los Alamos National Laboratory; Crowder, Mark L. [Savannah River National Laboratory

2012-06-20

The conditions for the production of oxygen during radiolysis of water adsorbed onto plutonium dioxide powder are discussed. Studies in the literature investigating the radiolysis of water show that both oxygen and hydrogen can be generated from water adsorbed on high-purity plutonium dioxide powder. These studies indicate that there is a threshold in the amount of water below which oxygen is not generated. The threshold is associated with the number of monolayers of adsorbed water and is shown to occur at approximately two monolayers of molecularly adsorbed water. Material in equilibrium with 50% relative humidity (RH) will be at the threshold for oxygen generation. Using two monolayers of molecularly adsorbed water as the threshold for oxygen production, the total pressure under various conditions is calculated assuming stoichiometric production of hydrogen and oxygen. The specific surface area of the oxide has a strong effect on the final partial pressure. The specific surface areas resulting in the highest pressures within a 3013 container are evaluated. The potential for oxygen generation is mitigated by reduced relative humidity, and hence moisture adsorption, at the oxide surface which occurs if the oxide is warmer than the ambient air. The potential for oxygen generation approaches zero as the temperature difference between the ambient air and the material approaches 6 C.

Radiation-induced reactions of amino acids adsorbed on solid surfaces

Energy Technology Data Exchange (ETDEWEB)

Lopez-Esquivel Kranksith, L.; Negron-Mendoza, A. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, UNAM. Cd. Universitaria, A.P. 70-543, 04510 Mexico D.F. (Mexico); Mosqueira, F.G. [Direcion General de Divulgacion de la Ciencia, Universidad Nacional Autonoma de Mexico, Cd. Universitaria, AP. 70-487 Mexico D.F. (Mexico); Ramos-Bernal, Sergio, E-mail: ramos@nucleares.unam.m [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, UNAM. Cd. Universitaria, A.P. 70-543, 04510 Mexico D.F. (Mexico)

2010-07-21

The purpose of this work is to study the adsorption of compounds such as amino acids on clays and carbon nanotubes (CNTs) as a possible phase in the chemical evolution that may have occurred on the primitive Earth or in extraterrestrial environments. We further study the behavior of amino acids adsorbed on these solid surfaces at different conditions of pH and levels of irradiation, simulating a high-radiation field at early Earth conditions. The relevance of this work is to explain the possible contribution of solids (clays and CNTs) as promoters of polymerization and as shields for the adsorbed organic compounds against external sources of energy. To this end, tryptophan, aspartic acid, and glutamic acid were adsorbed on fixed amounts of solid surfaces and were irradiated by a {sup 60}Co source for different periods of time at fixed dose rates. After irradiation, the amino acids were extracted from the solid and analyzed with UV and IR spectroscopes and high-performance liquid chromatography. The most efficient surface for adsorption of amino acids was clay, followed by CNTs. Studies of the gamma irradiation of amino acids adsorbed on clay (in the solid phase) show a low yield of recovery of the amino acid.

Radiation-induced reactions in D, L-α-alanine adsorbed in solid surfaces

International Nuclear Information System (INIS)

Aguilar, E; Negrón-Mendoza, A.; Camargo, C.

2013-01-01

The aim of this work is to study the behavior under irradiation of D, L and D-L α-alanine adsorbed in solid surfaces, as possible phase in the chemical evolution that may have occurred on the primitive Earth or in extraterrestrial environments and to evaluate the contribution of solids (a clay mineral) as shields for the adsorbed amino acids against a external energy source. The results show that α-alanine is adsorbed in the surfaces as function of pH and its yield of decomposition in mineral suspension is lower than the system without the solid surface. These results show the importance of nuclear techniques in these types of studies. (author)

Removal of arsenic from water using nano adsorbents and challenges: A review.

Science.gov (United States)

Lata, Sneh; Samadder, S R

2016-01-15

Many researchers have used nanoparticles as adsorbents to remove water pollutants including arsenic after modifying the properties of nanoparticles by improving reactivity, biocompatibility, stability, charge density, multi-functionalities, and dispersibility. For arsenic removal, nano adsorbents emerged as the potential alternatives to existing conventional technologies. The present study critically reviewed the past and current available information on the potential of nano adsorbents for arsenic removal from contaminated water and the challenges involved in that. The study discussed the separation and regeneration techniques of nano adsorbents and the performance thereof. The study evaluated the adsorption efficiency of the various nanoparticles based on size of nanoparticles, types of nano adsorbents, method of synthesis, separation and regeneration of the nano adsorbents. The study found that more studies are required on suitable holding materials for the nano adsorbents to improve the permeability and to make the technology applicable at the field condition. The study will help the readers to choose suitable nanomaterials and to take up further research required for arsenic removal using nano adsorbents. Copyright © 2015 Elsevier Ltd. All rights reserved.

Extraction of uranium from sea water by means of fibrous complex adsorbents

International Nuclear Information System (INIS)

Miyamatsu, Tokuhisa; Oguchi, Noboru; Kanchiku, Yoshihiko; Aoyagi, Takanobu

1982-01-01

Fibrous complex adsorbents for uranium extraction from sea water were prepared by introducing titanic acid or basic zinc carbonate as effective constituents into fibrous ion exchangers. A fibrous chelate type adsorbent was also tested. Among the adsorbents examined, the following ones demonstrated excellent properties for the recovery of uranium from sea water. a) A fibrous, weakly acidic cation exchanger was treated with titanyl sulfate in aqueous sulfuric acid solution, which was followed by neutralization to afford a fibrous adsorbent containing titanic acid (QC-1f(Ti)). The adsorption capacity for uranium in sea water was estimated by extrapolation to be 50μg-U/g-Ad or 1170 μg-U/g-Ti. b) A fibrous, strongly acidic cation exchanger was treated in a similar way to afford another type of fibrous adsorbent with titanic acid incorporated (QCS-Ti). The adsorption capacity was estimated by extrapolation to be 20-30 μg-U/g-Ad. (author)

Novel Anionic Clay Adsorbents for Boiler-Blow-Down Waters Reclaim and Reuse

Energy Technology Data Exchange (ETDEWEB)

Muhammad Sahimi; Theodore Tsotsis

2010-01-08

Arsenic (As) and Selenium (Se) are found in water in the form of oxyanions. Relatively high concentrations of As and Se have been reported both in power plant discharges, as well as, in fresh water supplies. The International Agency for Research on Cancer currently classifies As as a group 1 chemical, that is considered to be carcinogenic to humans. In Phase I of this project we studied the adsorption of As and Se by uncalcined and calcined layered double hydroxide (LDH). The focus of the present work is a systematic study of the adsorption of As and Se by conditioned LDH adsorbents. Conditioning the adsorbent significantly reduced the Mg and Al dissolution observed with uncalcined and calcined LDH. The adsorption rates and isotherms have been investigated in batch experiments using particles of four different particle size ranges. As(V) adsorption is shown to follow a Sips-type adsorption isotherm. The As(V) adsorption rate on conditioned LDH increases with decreasing adsorbent particle size; the adsorption capacity, on the other hand, is independent of the particle size. A homogeneous surface diffusion model (HSDM) and a bi-disperse pore model (BPM) - the latter viewing the LDH particles as assemblages of microparticles and taking into account bulk diffusion in the intraparticle pore space, and surface diffusion within the microparticles themselves - were used to fit the experimental kinetic data. The HSDM estimated diffusivity values dependent on the particle size, whereas the BPM predicted an intracrystalline diffusivity, which is fairly invariant with particle size. The removal of As(V) on conditioned LDH adsorbents was also investigated in flow columns, where the impact of important solution and operational parameters such as influent As concentration, pH, sorbent particle size and flow rate were studied. An early breakthrough and saturation was observed at higher flow rates and at higher influent concentrations, whereas a decrease in the sorbent particle

Reticular Chemistry in Action: A Hydrolytically Stable MOF Capturing Twice Its Weight in Adsorbed Water

KAUST Repository

Towsif Abtab, Sk Md; Alezi, Dalal; Bhatt, Prashant; Shkurenko, Aleksander; Belmabkhout, Youssef; Aggarwal, Himanshu; Weselinski, Lukasz Jan; Alsadun, Norah Sadun; Samin, Umer; Hedhili, Mohamed N.; Eddaoudi, Mohamed

2018-01-01

Summary Hydrolytically stable adsorbents, with notable water uptake, are of prime importance and offer great potential for many water-adsorption-related applications. Nevertheless, deliberate construction of tunable porous solids with high porosity and high stability remains challenging. Here, we present the successful deployment of reticular chemistry to address this demand: we constructed Cr-soc-MOF-1, a chemically and hydrolytically stable chromium-based metal-organic framework (MOF) with underlying soc topology. Prominently, Cr-soc-MOF-1 offers the requisite thermal and chemical stability concomitant with unique adsorption properties, namely extraordinary high porosity (apparent surface area of 4,549 m2/g) affording a water vapor uptake of 1.95 g/g at 70% relative humidity. This exceptional water uptake is maintained over more than 100 adsorption-desorption cycles. Markedly, the adsorbed water can be fully desorbed by just the simple reduction of the relative humidity at 25°C. Cr-soc-MOF-1 offers great potential for use in applications pertaining to water vapor control in enclosed and confined spaces and dehumidification.

Reticular Chemistry in Action: A Hydrolytically Stable MOF Capturing Twice Its Weight in Adsorbed Water

KAUST Repository

Towsif Abtab, Sk Md

2018-01-11

Summary Hydrolytically stable adsorbents, with notable water uptake, are of prime importance and offer great potential for many water-adsorption-related applications. Nevertheless, deliberate construction of tunable porous solids with high porosity and high stability remains challenging. Here, we present the successful deployment of reticular chemistry to address this demand: we constructed Cr-soc-MOF-1, a chemically and hydrolytically stable chromium-based metal-organic framework (MOF) with underlying soc topology. Prominently, Cr-soc-MOF-1 offers the requisite thermal and chemical stability concomitant with unique adsorption properties, namely extraordinary high porosity (apparent surface area of 4,549 m2/g) affording a water vapor uptake of 1.95 g/g at 70% relative humidity. This exceptional water uptake is maintained over more than 100 adsorption-desorption cycles. Markedly, the adsorbed water can be fully desorbed by just the simple reduction of the relative humidity at 25°C. Cr-soc-MOF-1 offers great potential for use in applications pertaining to water vapor control in enclosed and confined spaces and dehumidification.

Accelerator Analysis of Tributyltin Adsorbed onto the Surface of a Tributyltin Resistant Marine Pseudoalteromonas sp. Cell

Directory of Open Access Journals (Sweden)

Akira Kitamura

2008-10-01

Full Text Available Tributyltin (TBT released into seawater from ship hulls is a stable marine pollutant and obviously remains in marine environments. We isolated a TBT resistant marine Pseudoalteromonas sp. TBT1 from sediment of a ship’s ballast water. The isolate (109.3 ± 0.2 colony-forming units mL-1 adsorbed TBT in proportion to the concentrations of TBTCl externally added up to 3 mM, where the number of TBT adsorbed by a single cell was estimated to be 108.2. The value was reduced to about one-fifth when the lysozyme-treated cells were used. The surface of ethanol treated cells became rough, but the capacity of TBT adsorption was the same as that for native cells. These results indicate that the function of the cell surface, rather than that structure, plays an important role to the adsorption of TBT. The adsorption state of TBT seems to be multi-layer when the number of more than 106.8 TBT molecules is adsorbed by a single cell.

First principles study of dissolved oxygen water adsorption on Fe (001 surfaces

Directory of Open Access Journals (Sweden)

Dong ZHANG

2018-02-01

Full Text Available In order to study the mechanism of dissolved oxygen content on the surface corrosion behavior of Fe-based heat transfer, the first principle is used to study the adsorption of O2 monomolecular, H2O monolayer and dissolved oxygen system on Fe-based heat transfer surface. The GGA/PBE approximation is used to calculate the adsorption energy, state density and population change during the adsorption process. Calculations prove that when the dissolved oxygen is adsorbed on the Fe-based surface, the water molecule tends to adsorb at the top sites, and the oxygen molecule tends to adsorb at Griffiths. When the H2O molecule adsorbs and interacts on the Fe (001 surface, the charge distribution of the interfacial double electric layer changes to cause the Fe atoms to lose electrons, resulting in the change of the surface potential. When the O2 molecule adsorbs on the Fe (001 crystal surfaces, the electrons on the Fe (001 surface are lost and the surface potential increases. O2 molecule and the surface of the Fe atoms are prone to electron transfer, in which O atom's 2p orbit for the adsorption of O2 molecule on Fe (001 crystal surface play a major role. With the increase of the proportion of O2 molecule in the dissolved oxygen water, the absolute value of the adsorption energy increases, and the interaction of the Fe-based heat transfer surface is stronger. This study explores the influence law of different dissolved oxygen on the Fe base heat exchange surface corrosion, and the base metal corrosion mechanism for experimental study provides a theoretical reference.

Reduction in Friction and Wear of Alumina Surfaces as Assisted with Surface-Adsorbing Polymers in Aqueous Solutions

DEFF Research Database (Denmark)

Røn, Troels; Lee, Seunghwan

2016-01-01

We have investigated the aqueous lubricating effects of various polymers for the sliding contacts of self-mated alumina surfaces in neutral aqueous environment. Given that isoelectric point (IEP) of alumina is ca. pH 9, polyanions can readily adsorb onto alumina surface at neutral pH via electros......We have investigated the aqueous lubricating effects of various polymers for the sliding contacts of self-mated alumina surfaces in neutral aqueous environment. Given that isoelectric point (IEP) of alumina is ca. pH 9, polyanions can readily adsorb onto alumina surface at neutral pH via...

Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

International Nuclear Information System (INIS)

Meyer, Michael

2011-01-01

The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces

Science.gov (United States)

English, Niall J.; Kavathekar, Ritwik S.; MacElroy, J. M. D.

2012-12-01

Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the hydrogen-bonding kinetics of water in contact with rutile-(110), rutile-(101), rutile-(100), and anatase-(101) surfaces at room temperature (300 K). It was observed that anatase-(101) exhibits the longest-lived hydrogen bonds in terms of overall persistence, followed closely by rutile-(110). The relaxation times, defined as the integral of the autocorrelation of the hydrogen bond persistence function, were also longer for these two cases, while decay of the autocorrelation function was slower. The increased number and overall persistence of hydrogen bonds in the adsorbed water monolayers at these surfaces, particularly for anatase-(101), may serve to promote possible water photolysis activity thereon.

Evaluating of arsenic(V) removal from water by weak-base anion exchange adsorbents.

Science.gov (United States)

Awual, M Rabiul; Hossain, M Amran; Shenashen, M A; Yaita, Tsuyoshi; Suzuki, Shinichi; Jyo, Akinori

2013-01-01

Arsenic contamination of groundwater has been called the largest mass poisoning calamity in human history and creates severe health problems. The effective adsorbents are imperative in response to the widespread removal of toxic arsenic exposure through drinking water. Evaluation of arsenic(V) removal from water by weak-base anion exchange adsorbents was studied in this paper, aiming at the determination of the effects of pH, competing anions, and feed flow rates to improvement on remediation. Two types of weak-base adsorbents were used to evaluate arsenic(V) removal efficiency both in batch and column approaches. Anion selectivity was determined by both adsorbents in batch method as equilibrium As(V) adsorption capacities. Column studies were performed in fixed-bed experiments using both adsorbent packed columns, and kinetic performance was dependent on the feed flow rate and competing anions. The weak-base adsorbents clarified that these are selective to arsenic(V) over competition of chloride, nitrate, and sulfate anions. The solution pH played an important role in arsenic(V) removal, and a higher pH can cause lower adsorption capacities. A low concentration level of arsenic(V) was also removed by these adsorbents even at a high flow rate of 250-350 h(-1). Adsorbed arsenic(V) was quantitatively eluted with 1 M HCl acid and regenerated into hydrochloride form simultaneously for the next adsorption operation after rinsing with water. The weak-base anion exchange adsorbents are to be an effective means to remove arsenic(V) from drinking water. The fast adsorption rate and the excellent adsorption capacity in the neutral pH range will render this removal technique attractive in practical use in chemical industry.

Removal of cyanotoxins from surface water resources using reusable molecularly imprinted polymer adsorbents.

Science.gov (United States)

Krupadam, Reddithota J; Patel, Govind P; Balasubramanian, Rajasekhar

2012-06-01

Microcystins (MCs; cyclic heptapeptides) are produced by freshwater cyanobacteria and cause public health concern in potable water supplies. There are more than 60 types of MCs identified to date, of which MC-LR is the most common found worldwide. For MC-LR, the WHO has established a threshold value of 1 μg L(-1) for drinking water. The present MCs removal methods such as coagulation, flocculation, adsorption, and filtration showed low efficiency for removing dissolved MC fraction from surface waters to the stipulated limit prescribed by WHO based on MC health impacts. The search for cost-effective and efficient removal method is still warranted for remediation of dissolved MC-LR-contaminated water resources. Molecularly imprinted polymer (MIP) adsorbent has been prepared using non-covalent imprinting approach. Using MC-LR as a template, itaconic acid as a functional monomer, and ethylene glycol dimethacrylate as a cross-linking monomer, a MIP has been synthesized. Computer simulations were used to design effective binding sites for MC-LR binding in aqueous solutions. Batch binding adsorption assay was followed to determine binding capacity of MIP under the influence of environmental parameters such as total dissolved solids and pH. The adsorptive removal of MC-LR from lake water has been investigated using MIPs. The MIP showed excellent adsorption potential toward MC-LR in aqueous solutions with a binding capacity of 3.64 μg mg(-1) which is about 60% and 70% more than the commercially used powdered activated carbon (PAC) and resin XAD, respectively. Environmental parameters such as total organic carbon (represented as chemical oxygen demand (COD)) and total dissolved solids (TDS) showed no significant interference up to 300 mg L(-1) for MC-LR removal from lake water samples. It was found that the binding sites on PAC and XAD have more affinity toward COD and TDS than the MC-LR. Further, the adsorption capacity of the MIP was evaluated rigorously by its repeated

Modeling adsorption: Investigating adsorbate and adsorbent properties

Science.gov (United States)

Webster, Charles Edwin

1999-12-01

Surface catalyzed reactions play a major role in current chemical production technology. Currently, 90% of all chemicals are produced by heterogeneously catalyzed reactions. Most of these catalyzed reactions involve adsorption, concentrating the substrate(s) (the adsorbate) on the surface of the solid (the adsorbent). Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and areas. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. Calculated molar volumes and excluded molecular areas are determined and tabulated for a variety of molecules. Molecular dimensions of molecules are important in the understanding of molecular exclusion as well as size and shape selectivity, diffusion, and adsorbent selection. Molecular dimensions can also be used in the determination of the effective catalytic pore size of a catalyst. Adsorption isotherms, on zeolites, (crystalline mineral oxides) and amorphous solids, can be analyzed with the Multiple Equilibrium Analysis (MEA) description of adsorption. The MEA produces equilibrium constants (Ki), capacities (ni), and thermodynamic parameters (enthalpies, ΔHi, and entropies, ΔSi) of adsorption for each process. Pore volumes and accessible surface areas are calculated from the process capacities. Adsorption isotherms can also be predicted for existing and new adsorbate-adsorbent systems with the MEA. The results show that MEA has the potential of becoming a standard characterization method for microporous solids that will lead to an increased understanding of their behavior in gas

Many-body dispersion effects in the binding of adsorbates on metal surfaces

Energy Technology Data Exchange (ETDEWEB)

Maurer, Reinhard J. [Department of Chemistry, Yale University, New Haven, Connecticut 06520 (United States); Ruiz, Victor G.; Tkatchenko, Alexandre [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany)

2015-09-14

A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work, we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic–inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012) and Ambrosetti et al., J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid, and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects, we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate–surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches.

Effect of shape and size of amidoxime-group-containing adsorbent on the recovery of uranium from sea water

International Nuclear Information System (INIS)

Omichi, H.; Kataki, A.; Sugo, T.; Okamoto, J.; Katoh, S.; Sakane, K.; Sugasaka, K.; Itagaki, T.

1987-01-01

An amidoxime-group-containing adsorbent for the recovery of uranium from sea water was synthesized by radiation-induced graft polymerization of acrylonitrile onto polypropylene fiber of round and cross-shaped sections. The tensile strength and elongation of the synthesized adsorbent, both of which were one-half those of the raw material, were not affected by the shape of the fiber. The deterioration of the adsorption ability induced by immersing the adsorbent in HCl was negligible because of the short immersion time required for the desorption with HCl. The concentration factors for uranium and transition metals in 28 days were in the order of 10 5 , while those for alkali metals and alkaline earth metals were in the order 10 -1 -10 1 . The recovery of uranium with the cross-shaped adsorbent was superior to that of the round-shaped one. XMA line profiles show that the distribution of uranium is much restricted to the surface layer when compared with that of alkaline earth metals. Diminishing the diameter or increasing the surface area was effective for increasing the adsorption of uranium

Seasonally-Active Water on Mars: Vapour, Ice, Adsorbate, and the Possibility of Liquid

Science.gov (United States)

Richardson, M. I.

2002-12-01

Seasonally-active water can be defined to include any water reservoir that communicates with other reservoirs on time scales of a year or shorter. It is the interaction of these water reservoirs, under the influence of varying solar radiation and in conjunction with surface and atmospheric temperatures, that determines the phase-stability field for water at the surface, and the distribution of water in various forms below, on, and above the surface. The atmosphere is the critical, dynamical link in this cycling system, and also (fortunately) one of the easiest to observe. Viking and Mars Global Surveyor observations paint a strongly asymmetric picture of the global seasonal water cycle, tied proximately to planetary eccentricity, and the existence of residual ice caps of different composition at the two poles. The northern summer experiences the largest water vapour columns, and is associated with sublimation from the northern residual water ice cap. The southern summer residual carbon dioxide ice cap is cold trap for water. Asymmetry in the water cycle is an unsolved problem. Possible solutions may involve the current timing of perihelion (the water cap resides at the pole experiencing the longer but cooler summer), the trapping of water ice in the northern hemisphere by tropical water ice clouds, and the bias in the annual-average, zonal-mean atmospheric circulation resulting from the zonal-mean difference in the elevation of the northern and southern hemispheres. Adsorbed and frozen water have proven harder to constrain. Recent Odyssey Gamma Ray Spectrometer results suggest substantial ground ice in the mid- and high-latitudes, but this water is likely below the seasonal skin depth for two reasons: the GRS results are best fit with such a model, and GCM models of the water cycle produce dramatically unrealistic atmospheric vapour distributions when such a very near surface, GRS-like distribution is initialized - ultimately removing the water to the northern and

Thickness and structure of the water film deposited from vapour on calcite surfaces

DEFF Research Database (Denmark)

Bohr, Jakob; Wogelius, Roy A.; Morris, Peter M.

2010-01-01

Synchrotron X-ray reflectivity (SXR) was used to measure the thickness of the water film that adsorbs on a {10¯14} cleavage surface of calcite (CaCO3) in a sample chamber where relative humidity could be controlled within the range from......Synchrotron X-ray reflectivity (SXR) was used to measure the thickness of the water film that adsorbs on a {10¯14} cleavage surface of calcite (CaCO3) in a sample chamber where relative humidity could be controlled within the range from...

Effectiveness Study of Drinking Water Treatment Using Clays/Andisol Adsorbent in Lariat Heavy Metal Cadmium (Cd) and Bacterial Pathogens

Science.gov (United States)

Pranoto; Inayati; Firmansyah, Fathoni

2018-04-01

Water is a natural resource that is essential for all living creatures. In addition, water also caused of disease affecting humans. The existence of one of heavy metal pollutants cadmium (Cd) in the body of water is an environmental problem having a negative impact on the quality of water resources. Adsorption is one of the ways or methods that are often used for the treatment of wastewater. Clay and allophanic soil were used as Cd adsorbent by batch method. Ceramic filter was used to reduce Cd concentration in the ground water. This study aims to determine the effect of the composition of clay and Allophane, activation temperature and contact time on the adsorption capacity of Cd in the model solution. The optimum adsorption condition and the effectiveness of drinking water treatment in accordance with Regulation of the Minister of Health using clay/Andisol adsorbents in ensnare heavy metals Cd and bacterial pathogens. Identification and characterization of adsorbent is done by using NaF, Infrared Spectroscopy (FTIR), X-ray diffraction (XRD), specific surface area and total acidity specific. The Cd metal concentrations were analysed by atomic absorption spectroscopy. Adsorption isotherms determined by Freundlich and Langmuir equations. Modified water purification technology using ceramic filters are made with a mixture of clay and Andisol composition. The results showed samples of clay and Andisol containing minerals. The optimum condition of adsorption was achieved at 200 °C of activation temperature, 60 minutes of contact time and the 60:40 of clay:Andisol adsorbent composition. Freundlich isotherm represented Cd adsorption on the clay/Andisol adsorbent with a coefficient of determination (R2=0.99) and constant (k=1.59), higher than Langmuir (R2=0.89). The measurement results show the water purification technology using ceramic filters effectively reduce E. coli bacterial and Cd content in the water.

Adsorbent synthesis of polypyrrole/TiO(2) for effective fluoride removal from aqueous solution for drinking water purification: Adsorbent characterization and adsorption mechanism.

Science.gov (United States)

Chen, Jie; Shu, Chiajung; Wang, Ning; Feng, Jiangtao; Ma, Hongyu; Yan, Wei

2017-06-01

More than 20 countries are still suffering problems of excessive fluoride containing water, and greater than 8mg/L fluoride groundwater has been reported in some villages in China. In order to meet the challenge in the drinking water defluoridation engineering, a high efficiency and affinity defluoridation adsorbent PPy/TiO 2 composite was designed and synthetized by in-situ chemical oxidative polymerization. Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction Investigator (XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric analysis (TG), N 2 isotherm analysis, Scanning Electron Microscopy (SEM) and Zeta potential analysis were conducted to characterize surface and textural properties of the as-prepared PPy/TiO 2 , and the possibility of fluoride adsorption was carefully estimated by adsorption isotherm and kinetic studies. Characterization investigations demonstrate the uniqueness of surface and textural properties, such as suitable specific surface area and abundant positively charged nitrogen atoms (N + ), which indicate the composite is a suitable material for the fluoride adsorption. Adsorption isotherms and kinetics follow better with Langmuir and pseudo-second-order model, respectively. The maximum adsorption capacity reaches 33.178mg/g at 25°C according to Langmuir model, and particular interest was the ability to reduce the concentration of fluoride from 11.678mg/L to 1.5mg/L for drinking water at pH of 7 within 30min. Moreover, the adsorbent can be easily recycled without the loss of adsorption capacity after six cycles, greatly highlighting its outstanding affinity to fluoride, low-cost and novel to be used in the purification of fluoride containing water for drinking. Furthermore, the adsorption mechanism was extensively investigated and discussed by FTIR investigation and batch adsorption studies including effect of pH, surface potential and thermodynamics. The adsorption is confirmed to be a spontaneous and exothermic

Concentration and saturation effects of tethered polymer chains on adsorbing surfaces

Science.gov (United States)

Descas, Radu; Sommer, Jens-Uwe; Blumen, Alexander

2006-12-01

We consider end-grafted chains at an adsorbing surface under good solvent conditions using Monte Carlo simulations and scaling arguments. Grafting of chains allows us to fix the surface concentration and to study a wide range of surface concentrations from the undersaturated state of the surface up to the brushlike regime. The average extension of single chains in the direction parallel and perpendicular to the surface is analyzed using scaling arguments for the two-dimensional semidilute surface state according to Bouchaud and Daoud [J. Phys. (Paris) 48, 1991 (1987)]. We find good agreement with the scaling predictions for the scaling in the direction parallel to the surface and for surface concentrations much below the saturation concentration (dense packing of adsorption blobs). Increasing the grafting density we study the saturation effects and the oversaturation of the adsorption layer. In order to account for the effect of excluded volume on the adsorption free energy we introduce a new scaling variable related with the saturation concentration of the adsorption layer (saturation scaling). We show that the decrease of the single chain order parameter (the fraction of adsorbed monomers on the surface) with increasing concentration, being constant in the ideal semidilute surface state, is properly described by saturation scaling only. Furthermore, the simulation results for the chains' extension from higher surface concentrations up to the oversaturated state support the new scaling approach. The oversaturated state can be understood using a geometrical model which assumes a brushlike layer on top of a saturated adsorption layer. We provide evidence that adsorbed polymer layers are very sensitive to saturation effects, which start to influence the semidilute surface scaling even much below the saturation threshold.

Band mapping of surface states vs. adsorbate coverage

International Nuclear Information System (INIS)

Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

1997-01-01

The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

Surface-enhanced raman spectroscopy of quinomethionate adsorbed on silver colloids

International Nuclear Information System (INIS)

Kim, Mak Soon; Kang, Jae Soo; Park, Si Bum; Lee, Mu Sang

2003-01-01

We have studied the surface-enhanced Raman spectroscopy (SERS) spectrum of quinomethionate (6-methyl-1,3-dithiolo(4,5-b)quinoxalin-2-one), which is an insecticide or fungicide used on vegetables and wheat. We observed no signals in the ordinary Raman spectra of solid-state quinomethionate, but when it was adsorbed on a colloidal silver surface, strong vibrational signals were obtained at a very low concentration. The SERS spectra were obtained by silver colloids prepared by the Creighton et al. method. The influence of pH and the aggregation inductors (Cl - , Br - , I - , F - ) on the adsorption mechanism was investigated. Two different adsorption mechanisms were deduced, depending on the experimental conditions: The one N atom or two N atoms are chemisorbed on an Ag surface. An important contribution of the chemical mechanism was inferred when the one N atom was perpendicularly adsorbed on a surface. It is possible that quinomethionate can be detected to about 10 -5 M

Tetracycline removal from water by adsorption/bioadsorption on activated carbons and sludge-derived adsorbents.

Science.gov (United States)

Rivera-Utrilla, José; Gómez-Pacheco, Carla V; Sánchez-Polo, Manuel; López-Peñalver, Jesús J; Ocampo-Pérez, Raúl

2013-12-15

The objective of this study was to analyze the behavior of activated carbons with different chemical and textural natures in the adsorption of three tetracyclines (TCs) (tetracycline, oxytetracycline, and chlortetracycline). We also assessed the influence of the solution pH and ionic strength on the adsorption of these compounds and studied their removal by the combined use of microorganisms and activated carbon (bioadsorption). Sludge-derived materials were also used to remove TC from water. The capacity of these materials to adsorb TC was very high and was much greater than that of commercial activated carbon. This elevated adsorption capacity (512.1-672.0 mg/g) is explained by the high tendency of TC to form complex ions with some of the metal ions present in these materials. The medium pH and presence of electrolytes considerably affected TCs adsorption on commercial activated carbon. These results indicate that electrostatic adsorbent-adsorbate interactions play an important role in TC adsorption processes when conducted at pH values that produce TC deprotonation. The presence of bacteria during the TCs adsorption process decreases their adsorption/bioadsorption on the commercial activated carbon, weakening interactions between the adsorbate and the microfilm formed on the carbon surface. The adsorptive capacity was considerably lower in dynamic versus static regime, attributable to problems of TC diffusion into carbon pores and the shorter contact time between adsorbate and adsorbent. Copyright © 2013 Elsevier Ltd. All rights reserved.

Biological adsorbent for water decontamination from uranium

Energy Technology Data Exchange (ETDEWEB)

Jilek, R [Vyzkumny Ustav Veterinarniho Lekarstvi, Brno-Medlanky (Czechoslovakia); Fuska, J; Nemec, P [Slovenska Vysoka Skola Technicka, Bratislava (Czechoslovakia). Chemickotechnologicka Fakulta

1978-01-01

A study was made into the capacity of native and heat-denaturated mycelium to adsorb uranium salts from solutions and into the effect of uranium on the growth of the microorganism biomass. The presence of uranium did not inhibit the growth of Penicillium and Aspergillus strains used at a concentration of up to 5x10/sup -4/ M/dm/sup 3/. Uranium added to a nutrient medium produced complexes with phosphorus ions which were adsorbed on the surface of growing hyphae, thus the removal of the mycelium also removed uranium. The results of the experiments with denaturated mycelium of the same strains suggested that uranium was also bound to the biomass with chemical bonds so that mycelium acted as a ''multifunction ion exchanger'' from which adsorbed uranium can be removed step by step by elution. A sorbent of a three-dimensional structure could be prepared from a dried native mycelium using reinforcing resins, which prevented leakage of the biomass. Uranium sorption by biosorbents is a function of the concentration of the cation sorbed and of the pH of the solution.

Biological adsorbent for water decontamination from uranium

International Nuclear Information System (INIS)

Jilek, R.; Fuska, J.; Nemec, P.

1978-01-01

A study was made into the capacity of native and heat-denaturated mycelium to adsorb uranium salts from solutions and into the effect of uranium on the growth of the microorganism biomass. The presence of uranium did not inhibit the growth of Penicillium and Aspergillus strains used at a concentration of up to 5x10 -4 M/dm 3 . Uranium added to a nutrient medium produced complexes with phosphorus ions which were adsorbed on the surface of growing hyphae, thus the removal of the mycelium also removed uranium. The results of the experiments with denaturated mycelium of the same strains suggested that uranium was also bound to the biomass with chemical bonds so that mycelium acted as a ''multifunction ion exchanger'' from which adsorbed uranium can be removed step by step by elution. A sorbent of a three-dimensional structure could be prepared from a dried native mycelium using reinforcing resins, which prevented leakage of the biomass. Uranium sorption by biosorbents is a function of the concentration of the cation sorbed and of the pH of the solution. (author)

Oil palm biomass-based adsorbents for the removal of water pollutants--a review.

Science.gov (United States)

Ahmad, Tanweer; Rafatullah, Mohd; Ghazali, Arniza; Sulaiman, Othman; Hashim, Rokiah

2011-07-01

This article presents a review on the role of oil palm biomass (trunks, fronds, leaves, empty fruit bunches, shells, etc.) as adsorbents in the removal of water pollutants such as acid and basic dyes, heavy metals, phenolic compounds, various gaseous pollutants, and so on. Numerous studies on adsorption properties of various low-cost adsorbents, such as agricultural wastes and its based activated carbons, have been reported in recent years. Studies have shown that oil palm-based adsorbent, among the low-cost adsorbents mentioned, is the most promising adsorbent for removing water pollutants. Further, these bioadsorbents can be chemically modified for better efficiency and can undergo multiple reuses to enhance their applicability at an industrial scale. It is evident from a literature survey of more than 100 recent papers that low-cost adsorbents have demonstrated outstanding removal capabilities for various pollutants. The conclusion is been drawn from the reviewed literature, and suggestions for future research are proposed.

Transporting method for adsorbing tower and the adsorbing tower

International Nuclear Information System (INIS)

Shimokawa, Nobuhiro.

1996-01-01

A cylindrical plastic bag is disposed to the upper surface of an adsorbing tower so as to surround a suspending piece. One opening of the bag is sealed, and other opening is secured in a sealed state to a bag holding portion disposed to glove box at a gate for the adsorbing tower box. The adsorbing tower is transported into the glove box, and after the completion of the operation of the adsorbing tower, the adsorbing tower is taken out in a state that the bag is restricted and sealed at a portion below the adsorbing tower. The bag may be made of a vinyl plastic, the bag holding portion may be a short-cylindrical protrusion, and may have an O-ring groove at the outer surface. Even if the adsorbing tower is heavy, the adsorbing tower can be carried out easily in a state where it is sealed gas tightly. (N.H.)

Surface characterization of Ag/Titania adsorbents

International Nuclear Information System (INIS)

Samokhvalov, Alexander; Nair, Sachin; Duin, Evert C.; Tatarchuk, Bruce J.

2010-01-01

The Ag/Titania adsorbent for selective removal of the desulfurization-refractive polycyclic aromatic sulfur heterocycles (PASHs) from liquid hydrocarbon fuels was prepared, its total and the Ag specific surface area were determined and the surface reaction sites in the sorbent that may be active in the adsorptive selective desulfurization were characterized by several spectroscopic and surface science techniques. The sorbent contains Ag, Ti, O and spurious C on its surface, as by the XPS measurements. Silver is present as an oxide, as judged by the XPS Auger parameter (AP). The complementary electron spin resonance (ESR) spectroscopy confirms that the majority of Ag is present in the diamagnetic Ag 1+ form, with the minor concentration (∼0.1% of total Ag) present as Ag 2+ . The findings by XPS and ESR are confirmed by the XRD, UV-vis spectroscopy and thermodynamic considerations. The supported Ag is highly dispersed on the surface of the titania support, with the particle size of ∼30-60 A depending on Ag content, with an Ag specific surface area of ∼7-14 m 2 /g, vs. the total surface area of ∼114-58 m 2 /g.

Adsorption Characteristics of Different Adsorbents and Iron(III Salt for Removing As(V from Water

Directory of Open Access Journals (Sweden)

Josip Ćurko

2016-01-01

Full Text Available The aim of this study is to determine the adsorption performance of three types of adsorbents for removal of As(V from water: Bayoxide® E33 (granular iron(III oxide, Titansorb® (granular titanium oxide and a suspension of precipitated iron(III hydroxide. Results of As(V adsorption stoichiometry of two commercial adsorbents and precipitated iron(III hydroxide in tap and demineralized water were fitted to Freundlich and Langmuir adsorption isotherm equations, from which adsorption constants and adsorption capacity were calculated. The separation factor RL for the three adsorbents ranged from 0.04 to 0.61, indicating effective adsorption. Precipitated iron(III hydroxide had the greatest, while Titansorb had the lowest capacity to adsorb As(V. Comparison of adsorption from tap or demineralized water showed that Bayoxide and precipitated iron(III hydroxide had higher adsorption capacity in demineralized water, whereas Titansorb showed a slightly higher capacity in tap water. These results provide mechanistic insights into how commonly used adsorbents remove As(V from water.

Structure of adsorbed monolayers. The surface chemical bond

International Nuclear Information System (INIS)

Somorjai, G.A.; Bent, B.E.

1984-06-01

This paper attempts to provide a summary of what has been learned about the structure of adsorbed monolayers and about the surface chemical bond from molecular surface science. While the surface chemical bond is less well understood than bonding of molecules in the gas phase or in the solid state, our knowledge of its properties is rapidly accumulating. The information obtained also has great impact on many surface science based technologies, including heterogeneous catalysis and electronic devices. It is hoped that much of the information obtained from studies at solid-gas interfaces can be correlated with molecular behavior at solid-liquid interfaces. 31 references, 42 figures, 1 table

Surface-enhanced Raman spectrum of Gly-Gly adsorbed on the silver colloidal surface

Science.gov (United States)

Xiaojuan, Yuan; Huaimin, Gu; Jiwei, Wu

2010-08-01

Raman and SERS spectra of homodipeptide Gly-Gly and Gly were recorded and compared in this paper, and band assignment for the functional groups contained in these molecules was analyzed in detail. Time-dependent and pH-dependent SERS spectra of Gly-Gly molecule adsorbed on nano-colloidal silver surface were also studied. The time-dependent SERS spectra of Gly-Gly are characterized by the increase in intensity of bands primarily representing the vibrational signatures emanating from the amino and amide moiety of Gly-Gly molecule. It is found that the adsorption style of Gly-Gly on the silver colloid changes as time goes on; at 5 min after adding the sample to the silver colloid, Gly-Gly adsorbs on silver surface firstly through the carboxylate, amino and amide groups, and then the carboxylate group is far away from the silver surface at 10 min to 3 days. The SERS variation of Gly-Gly with the change of pH suggests that the adsorption style is pH-dependent, the different adsorption behavior of the Gly-Gly occurs on silver surface at different pH values.

Electronic structure of benzene adsorbed on Ni and Cu surfaces

Energy Technology Data Exchange (ETDEWEB)

Weinelt, M.; Nilsson, A.; Wassdahl, N. [Uppsala Univ. (Sweden)] [and others

1997-04-01

Benzene has for a long time served as a prototype adsorption system of large molecules. It adsorbs with the molecular plane parallel to the surface. The bonding of benzene to a transition metal is typically viewed to involve the {pi} system. Benzene adsorbs weakly on Cu and strongly on Ni. It is interesting to study how the adsorption strength is reflected in the electronic structure of the adsorbate-substrate complex. The authors have used X-ray Emission (XE) and X-ray Absorption (XA) spectroscopies to selectively study the electronic states localized on the adsorbed benzene molecule. Using XES the occupied states can be studies and with XAS the unoccupied states. The authors have used beamline 8.0 and the Swedish endstation equipped with a grazing incidence x-ray spectrometer and a partial yield absorption detector. The resolution in the XES and XAS were 0.5 eV and 0.05 eV, respectively.

Use of Drinking Water Sludge as Adsorbent for H2S Gas Removal from Biogas

Directory of Open Access Journals (Sweden)

Sucheela Polruang

2017-01-01

Full Text Available This paper reports the results of a research project, which attempts to produce a low-cost adsorbent material from waste (drinking water sludge. The main objective of this work is to study the characteristics of drinking water sludge for its adsorptive properties including morphology, surface area, porosity and chemical composition. The effect of activation conditions on H2S gas adsorption efficiency of drinking water sludge was experimented. In this study, raw drinking water sludge was divided into 3 groups. In the first group, drinking water sludge was only oven dried at 105°C. For the other 2 groups, drinking water sludge was soaked in 2.5 M NaOH solution. After soaking, the sludge was divided into 2 groups (group 2 and 3. The second group was washed with distilled water until pH 7; while the third group was not. Biogas from a swine farm was used with an initial H2S gas concentration in the range of 2,000 - 4,000 ppm. The material analysis showed that more surface area and total volume of sludge can be obtained after activated with NaOH. From the adsorption experiments, it was found that the highest adsorption capacity (qe of 87.94 mg H2S/g adsorptive material can be achieved by using sludge from the third group. Moreover, by adding of 20 wt% iron filing into sludge of the third group the adsorption capacity increased to 105.22 mg H2S/g adsorptive material. Drinking water sludge can be considered as a high potential energy saving and low cost adsorbent for removal of H2S.

Effects of Surface Dipole Lengths on Evaporation of Tiny Water Aggregation

International Nuclear Information System (INIS)

Wang Shen; Wan Rongzheng; Fang Haiping; Tu Yusong

2013-01-01

Using molecular dynamics simulation, we compared evaporation behavior of a tiny amount of water molecules adsorbed on solid surfaces with different dipole lengths, including surface dipole lengths of 1 fold, 2 folds, 4 folds, 6 folds and 8 folds of 0.14 nm and different charges from 0.1e to 0.9e. Surfaces with short dipole lengths (1-fold system) can always maintain hydrophobic character and the evaporation speeds are not influenced, whether the surface charges are enhanced or weakened; but when surface dipole lengths get to 8 folds, surfaces become more hydrophilic as the surface charge increases, and the evaporation speeds increase gradually and monotonically. By tuning dipole lengths from 1-fold to 8-fold systems, we confirmed non-monotonic variation of the evaporation flux (first increases, then decreases) in 4 fold system with charges (0.1e–0.7e), reported in our previous paper [S. Wang, et al., J. Phys. Chem. B 116 (2012) 13863], and also show the process from the enhancement of this unexpected non-monotonic variation to its vanishment with surface dipole lengths increasing. Herein, we demonstrated two key factors to influence the evaporation flux of a tiny amount of water molecules adsorbed on solid surfaces: the exposed surficial area of water aggregation from where the water molecules can evaporate directly and the attraction potential from the substrate hindering the evaporation. In addition, more interestingly, we showed extra steric effect of surface dipoles on further increase of evaporation flux for 2-folds, 4-folds, 6-folds and 8-folds systems with charges around larger than 0.7e. (The steric effect is first reported by parts of our authors [C. Wang, et al., Sci. Rep. 2 (2012) 358]). This study presents a complete physical picture of the influence of surface dipole lengths on the evaporation behavior of the adsorbed tiny amount of water. (condensed matter: structural, mechanical, and thermal properties)

Molecular dynamics study of room temperature ionic liquids with water at mica surface

Directory of Open Access Journals (Sweden)

Huanhuan Zhang

2018-04-01

Full Text Available Water in room temperature ionic liquids (RTILs could impose significant effects on their interfacial properties at a charged surface. Although the interfaces between RTILs and mica surfaces exhibit rich microstructure, the influence of water content on such interfaces is little understood, in particular, considering the fact that RTILs are always associated with water due to their hygroscopicity. In this work, we studied how different types of RTILs and different amounts of water molecules affect the RTIL-mica interfaces, especially the water distribution at mica surfaces, using molecular dynamics (MD simulation. MD results showed that (1 there is more water and a thicker water layer adsorbed on the mica surface as the water content increases, and correspondingly the average location of K+ ions is farther from mica surface; (2 more water accumulated at the interface with the hydrophobic [Emim][TFSI] than in case of the hydrophilic [Emim][BF4] due to the respective RTIL hydrophobicity and ion size. A similar trend was also observed in the hydrogen bonds formed between water molecules. Moreover, the 2D number density map of adsorbed water revealed that the high-density areas of water seem to be related to K+ ions and silicon/aluminum atoms on mica surface. These results are of great importance to understand the effects of hydrophobicity/hydrophicility of RTIL and water on the interfacial microstructure at electrified surfaces. Keywords: Room temperature ionic liquids, Hydrophobicity/hydrophicility, Water content, Electrical double layer, Mica surface

Adsorbate-induced lifting of substrate relaxation is a general mechanism governing titania surface chemistry.

Science.gov (United States)

Silber, David; Kowalski, Piotr M; Traeger, Franziska; Buchholz, Maria; Bebensee, Fabian; Meyer, Bernd; Wöll, Christof

2016-09-30

Under ambient conditions, almost all metals are coated by an oxide. These coatings, the result of a chemical reaction, are not passive. Many of them bind, activate and modify adsorbed molecules, processes that are exploited, for example, in heterogeneous catalysis and photochemistry. Here we report an effect of general importance that governs the bonding, structure formation and dissociation of molecules on oxidic substrates. For a specific example, methanol adsorbed on the rutile TiO 2 (110) single crystal surface, we demonstrate by using a combination of experimental and theoretical techniques that strongly bonding adsorbates can lift surface relaxations beyond their adsorption site, which leads to a significant substrate-mediated interaction between adsorbates. The result is a complex superstructure consisting of pairs of methanol molecules and unoccupied adsorption sites. Infrared spectroscopy reveals that the paired methanol molecules remain intact and do not deprotonate on the defect-free terraces of the rutile TiO 2 (110) surface.

The development of an adsorbent for corrosion products in high-temperature water

International Nuclear Information System (INIS)

Kim, Yong Ik; Sung, Ki Woung; Kim, Kwang Rag; Kim, Yu Hwan; Koo, Jae Hyoo

1996-08-01

In order to use as adsorbent for removal of the soluble corrosion products, mainly Co 60 under PWR reactor coolant conditions (300 deg C, 160 kg/cm 2 ), stable ZrO 2 adsorbent was prepared using sol-gel process from zirconyl nitrate, AlO adsorbent was prepared by hydrolysis of aluminum isopropoxide, and titanium tetraisopropoxide, respectively. The prepared adsorbents were calcined at various temperature and analyzed by physical properties and the Co 2+ adsorption capacity. And it was shown that the Co 2+ adsorption capacity of the TiO 2 -Al 2 O 3 adsorbents were found to have larger than that of ZrO 2 and Al 2 O 3 adsorbents in high-temperature water. ZrO 2 , Al 2 O 3 and TiO 2 -Al 2 O 3 adsorbents were found to be suitable high-temperature adsorbents for the removal of dissolved corrosion products, mainly Co in PWR reactor coolant conditions. 15 tabs., 51 figs., 55 refs. (Author)

A Novel Nanohybrid Nanofibrous Adsorbent for Water Purification from Dye Pollutants

Directory of Open Access Journals (Sweden)

Shahin Homaeigohar

2016-10-01

Full Text Available In this study, we devised a novel nanofibrous adsorbent made of polyethersulfone (PES for removal of methylene blue (MB dye pollutant from water. The polymer shows a low isoelectric point thus at elevated pHs and, being nanofibrous, can offer a huge highly hydroxylated surface area for adsorption of cationic MB molecules. As an extra challenge, to augment the adsorbent’s properties in terms of adsorption capacity in neutral and acidic conditions and thermal stability, vanadium pentoxide (V2O5 nanoparticles were added to the nanofibers. Adsorption data were analyzed according to the Freundlich adsorption model. The thermodynamic parameters verified that only at basic pH is the adsorption spontaneous and in general the process is entropy-driven and endothermic. The kinetics of the adsorption process was evaluated by the pseudo-first- and pseudo-second-order models. The latter model exhibited the highest correlation with data. In sum, the adsorbent showed a promising potential for dye removal from industrial dyeing wastewater systems, especially when envisaging their alkaline and hot conditions.

Impact of potassium and water on the electronic properties of InN(0001) surfaces

International Nuclear Information System (INIS)

Reiss, S.; Eisenhardt, A.; Krischok, S.; Himmerlich, M.

2014-01-01

In this work we investigate the interaction of potassium and water with 2 x 2 reconstructed InN(0001) surfaces prepared by plasma-assisted molecular beam epitaxy. The influence of adsorbate-substrate-interaction on surface properties is characterized in-situ by photoelectron spectroscopy. Potassium exposure leads to a strong reduction in the work function Φ to 1.6 eV revealing a charge transfer from the adsorbate to the InN surface. In parallel, a reduction of the surface downward band bending by 0.2 eV and hence a reduced electron accumulation density is observed. While interaction of water with clean InN(0001)-2 x 2 surfaces induces only minor changes in the surface band bending, water adsorption at potassium covered InN(0001) leads to a reversal of the K-induced reduction in surface band bending and a slight increase of Φ to 2.4 eV. These results show that surrounding water modifies the interaction of potassium with InN(0001) surfaces. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Electrochemical Properties of Alkanethiol Monolayers Adsorbed on Nanoporous Au Surfaces

International Nuclear Information System (INIS)

Chu, Yeon Yi; Seo, Bora; Kim, Jong Won

2010-01-01

We investigated the electrochemical properties of alkanethiol monolayers adsorbed on NPG surfaces by cyclic voltammetry and electrochemical impedance spectroscopy, and the results are compared to those on flat Au surfaces. The reductive desorption of alkanethiols on NPG surfaces is observed in more negative potential regions than that on flat Au surfaces due the stronger S-Au interaction on NPG surfaces. While the electron transfer through alkanethiol monolayers on flat Au surfaces occurs via a tunneling process through the monolayer films, the redox species can permeate through the monolayers on NPG surfaces to transfer the electrons to the Au surfaces. The results presented here will help to elucidate the intrinsic electrochemical properties of alkanethiol monolayers adsorbed on curved Au surfaces, particularly on the surface of AuNPs. Self-assembled monolayers (SAMs) of thiolate molecules on Au surfaces have been the subject of intensive research for the last few decades due to their unique physical and chemical properties. The well-organized surface structures of thiolate SAMs with various end-group functionalities can be further utilized for many applications in biology and nanotechnology. In addition to the practical applications, SAMs of thiolate molecules on Au surfaces also provide unique opportunities to address fundamental issues in surface chemistry such as self-organized surface structures, electron transfer behaviors, and moleculesubstrate interactions. Although there have been numerous reports on the fundamental physical and chemical properties of thiolate SAMs on Au surfaces, most of them were investigated on flat Au surfaces, typically on well-defined Au(111) surfaces

The synthesis of corncobs (zea mays) active charcoal and water hyacinth (eichornia crassipes) adsorbent to adsorb Pb(II) with it’s analysis using solid-phase spectrophotometry (sps)

Science.gov (United States)

Saputro, S.; Masykuri, M.; Mahardiani, L.; Kurniastuti, D.

2018-03-01

This research aim to examine the effect of the combination between corncobs and water hyacinth to adsorb lead (II), the most effective combination have determined by compared the ratio of corncobs adsorbent and water hyacinth to the increasing adsorption of the Pb(II), prove the effectiveness of the solid-phase spectrophotometry (sps) to determine the levels of Pb(II) as the result of the corncobs active charcoal adsorption and water hyacinth in the level of µg/L. The research method used is experimental method. The data collecting technique is carried out by several stages, which are carbonization using muffle furnace at a temperature of 350°C for 1.5 hours, activation of the corncobs charcoal and water hyacinth using HCl 1M and HCl 5M activator, contacting the adsorbent of corncobs active charcoal and water hyacinth with liquid waste simulation of Pb(II) using variation of corncobns and water hyacinth, 1:0; 0:1; 1:1; 2:1; 1:2, analysis of Pb(II) using an sps, characterization of corncobs active charcoal adsorbent and water hyacinth using FTIR. Research results show that the combined effect of activated charcoal corncobs and water hyacinth can increase the ability of the adsorbent to absorb Pb(II), the optimum adsorbent mass ratio of 1:1 with the absorption level of 90.33%, SPS is an effective method to analyze the decreasing level of Pb(II) as the adsorbtion result of the corncobs active charcoal and water hyacinth in the level of µg/L, with the limit of detection (LOD) of 0.06 µg/L.

Removal of Cu (II and Zn (II from water with natural adsorbents from cassava agroindustry residues

Directory of Open Access Journals (Sweden)

Daniel Schwantes

2015-07-01

Full Text Available Current study employs solid residues from the processing industry of the cassava (Manihot esculenta Crantz (bark, bagasse and bark + bagasse as natural adsorbents for the removal of metal ions Cu(II and Zn(II from contaminated water. The first stage comprised surface morphological characterization (SEM, determination of functional groups (IR, point of zero charge and the composition of naturally existent minerals in the biomass. Further, tests were carried out to evaluate the sorption process by kinetic, equilibrium and thermodynamic studies. The adsorbents showed a surface with favorable adsorption characteristics, with adsorption sites possibly derived from lignin, cellulose and hemicellulose. The dynamic equilibrium time for adsorption was 60 min. Results followed pseudo-second-order, Langmuir and Dubinin-Radushkevich models, suggesting a chemisorption monolayer. The thermodynamic parameters suggested that the biosorption process of Cu and Zn was endothermic, spontaneous or independent according to conditions. Results showed that the studied materials were potential biosorbents in the decontamination of water contaminated by Cu(II and Zn(II. Thus, the above practice complements the final stages of the cassava production chain of cassava, with a new disposal of solid residues from the cassava agroindustry activity.

SAPO-34 coated adsorbent heat exchanger for adsorption chillers

International Nuclear Information System (INIS)

Freni, Angelo; Bonaccorsi, Lucio; Calabrese, Luigi; Caprì, Angela; Frazzica, Andrea; Sapienza, Alessio

2015-01-01

In this work, adsorbent coatings on aluminum surfaces were prepared by dip-coating method starting from a water suspension of SAPO-34 zeolite and a silane-based binder. Silane-zeolite coatings morphology and surface coverage grade were evaluated by scanning electron microscopy. Adhesive and mechanical properties were evaluated by peel, pull-off, impact and micro-hardness tests, confirming the good interaction between metal substrate, binder and zeolite. Adsorption equilibrium and kinetics of water vapour adsorption on the adsorbent coating were studied in the range T = 30–150 °C and pH 2 O = 11 mbar using a CAHN 2000 thermo-balance. It was found that, in the investigated conditions, the organic binder doesn't affect the water adsorption capacity and adsorption kinetics of the original SAPO-34 zeolite. Subsequently, the zeolite coating was applied on a finned flat-tubes aluminum heat exchanger realizing a full-scale AdHEx with an uniform adsorbent coating 0.1 mm thick and a metal/adsorbent mass ratio = 6. The cooling capacity of the realized coated AdHEx was measured by a lab-scale adsorption chiller under realistic operating conditions for air conditioning applications. The coated AdHEx produced up to 675 W/kg ads specific cooling power with a cycle time of 5 min. Adsorption stability of the coated adsorber subjected to 600 sorption cycles was successfully verified. - Highlights: • Adsorbent coatings on aluminum surfaces were prepared by dip-coating method. • Silane-zeolite coatings morphology, and mechanical properties were studied. • The zeolite coating was applied on a finned flat-tubes aluminum heat exchanger. • The coated AdHEx was tested in a lab scale adsorption chiller

The development of an adsorbent for corrosion products in high-temperature water

Energy Technology Data Exchange (ETDEWEB)

Kim, Yong Ik; Sung, Ki Woung; Kim, Kwang Rag; Kim, Yu Hwan; Koo, Jae Hyoo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1996-08-01

In order to use as adsorbent for removal of the soluble corrosion products, mainly Co{sup 60} under PWR reactor coolant conditions (300 deg C, 160 kg/cm{sup 2}), stable ZrO{sub 2} adsorbent was prepared using sol-gel process from zirconyl nitrate, AlO adsorbent was prepared by hydrolysis of aluminum isopropoxide, and titanium tetraisopropoxide, respectively. The prepared adsorbents were calcined at various temperature and analyzed by physical properties and the Co{sup 2+} adsorption capacity. And it was shown that the Co{sup 2+} adsorption capacity of the TiO{sub 2}-Al{sub 2}O{sub 3} adsorbents were found to have larger than that of ZrO{sub 2} and Al{sub 2}O{sub 3} adsorbents in high-temperature water. ZrO{sub 2}, Al{sub 2}O{sub 3} and TiO{sub 2}-Al{sub 2}O{sub 3} adsorbents were found to be suitable high-temperature adsorbents for the removal of dissolved corrosion products, mainly Co in PWR reactor coolant conditions. 15 tabs., 51 figs., 55 refs. (Author).

Creation of the technical adsorbent from local raw materials

International Nuclear Information System (INIS)

Isobaev, M.D.; Davlatnazarova, M.D.; Abdullaev, T.H.

2016-01-01

The results showed the possibility of obtaining effective adsorbents of walnut shell and the sunflower for environmental purposes, in particular for the purification of polluted waters from heavy metals. It has been shown, that 1 g of walnut shell adsorbent can adsorb on its surface ions of lead in amount of 47% by weight. The dependence of the adsorption activity of the semi-coke received from walnut shell from particle size and concentration of the solution. (author)

Fate of Trace Organic Compounds in Granular Activated Carbon (GAC Adsorbers for Drinking Water Treatment

Directory of Open Access Journals (Sweden)

Alexander Sperlich

2017-06-01

Full Text Available Granular activated carbon (GAC adsorbers for drinking water treatment were operated for approx. 14 months and the breakthrough of dissolved organic carbon (DOC and trace organic chemicals (TOrCs was monitored. Effluent concentration profiles of gabapentin and valsartan acid increase already at throughputs of <10,000 BV. The corresponding breakthrough curves flatten out without reaching the influent concentration level. This strongly indicates biological degradation of these substances in the GAC adsorbers under aerobic conditions, contributing to a more efficient use of GAC. The observed biodegradation in pilot GAC adsorbers also confirms recent reports of biodegradation of gabapentin and valsartan acid during managed aquifer recharge. Oxypurinol is comparatively well adsorbed and no breakthrough was observed during the experimental period. Adsorption capacity and breakthrough characteristics of oxypurinol appear very similar to carbamazepine. Breakthrough of GAC adsorbers operated with drinking water was compared to those of groundwater-fed adsorbers. The results show, that it is generally advisable to use previously aerated influents for GAC fixed-bed adsorbers because this can substantially improve biological removal of otherwise poorly adsorbable compounds and ensure full GAC accessibility for adsorbates by avoiding the undesirable formation of inorganic precipitates on adsorption sites.

Arsenic Removal from Water Using Various Adsorbents: Magnetic Ion Exchange Resins, Hydrous Ion Oxide Particles, Granular Ferric Hydroxide, Activated Alumina, Sulfur Modified Iron, and Iron Oxide-Coated Microsand

KAUST Repository

Sinha, Shahnawaz

2011-09-30

The equilibrium and kinetic adsorption of arsenic on six different adsorbents were investigated with one synthetic and four natural types (two surface and two ground) of water. The adsorbents tested included magnetic ion exchange resins (MIEX), hydrous ion oxide particles (HIOPs), granular ferric hydroxide (GFH), activated alumina (AA), sulfur modified iron (SMI), and iron oxide-coated mic - rosand (IOC-M), which have different physicochemical properties (shape, charge, surface area, size, and metal content). The results showed that adsorption equilibriums were achieved within a contact period of 20 min. The optimal doses of adsorbents determined for a given equilibrium concentration of C eq = 10 μg/L were 500 mg/L for AA and GFH, 520–1,300 mg/L for MIEX, 1,200 mg/L for HIOPs, 2,500 mg/L for SMI, and 7,500 mg/L for IOC-M at a contact time of 60 min. At these optimal doses, the rate constants of the adsorbents were 3.9, 2.6, 2.5, 1.9, 1.8, and 1.6 1/hr for HIOPs, AA, GFH, MIEX, SMI, and IOC-M, respectively. The presence of silicate significantly reduced the arsenic removal efficiency of HIOPs, AA, and GFH, presumably due to the decrease in chemical binding affinity of arsenic in the presence of silicate. Additional experiments with natural types of water showed that, with the exception of IOC-M, the adsorbents had lower adsorption capacities in ground water than with surface and deionized water, in which the adsorption capacities decreased by approximately 60–95 % .

Performance of adsorbent-embedded heat exchangers using binder-coating method

KAUST Repository

Li, Ang

2016-01-01

The performance of adsorption (AD) chillers or desalination cycles is dictated by the rates of heat and mass transfer of adsorbate in adsorbent-packed beds. Conventional granular-adsorbent, packed in fin-tube heat exchangers, suffered from poor heat transfer in heating (desorption) or cooling (adsorption) processes of the batch-operated cycles, with undesirable performance parameters such as higher footprint of plants, low coefficient of performance (COP) of AD cycles and higher capital cost of the machines. The motivation of present work is to mitigate the heat and mass "bottlenecks" of fin-tube heat exchangers by using a powdered-adsorbent cum binder coated onto the fin surfaces of exchangers. Suitable adsorbent-binder pairs have been identified for the silica gel adsorbent with pore surface areas up to 680 m2/g and pore diameters less than 6 nm. The parent silica gel remains largely unaffected despite being pulverized into fine particles of 100 μm, and yet maintaining its water uptake characteristics. The paper presents an experimental study on the selection and testing processes to achieve high efficacy of adsorbent-binder coated exchangers. The test results indicate 3.4-4.6 folds improvement in heat transfer rates over the conventional granular-packed method, resulting a faster rate of water uptake by 1.5-2 times on the suitable silica gel type. © 2015 Elsevier Ltd. All rights reserved.

Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles

Energy Technology Data Exchange (ETDEWEB)

Gao, Bo [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); Wang, Jianyun [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Lv, Jian [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Gao, Xingyu [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Zhao, Yafan [CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Wang, Yanchao, E-mail: wyc@calypso.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China); College of Materials Science and Engineering, Jilin University, Changchun, 130012 (China); Song, Haifeng, E-mail: song_haifeng@iapcm.ac.cn [Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing, 100088 (China); CAEP Software Center for High Performance Numerical Simulation, Beijing, 100088 (China); Ma, Yanming [State Key Laboratory of Superhard Materials, Jilin University, Changchun, 130012 (China); Beijing computational science research center, Beijing,100084 (China)

2017-01-30

Highlights: • Two stable structures of O adsorbed on a Zr(0001) surface are predicted with SLAM. • A stable structure of O adsorbed on a Zr(0001) surface is proposed with MLAM. • The calculated work function change is agreement with experimental value. - Abstract: The structures of O atoms adsorbed on a metal surface influence the metal properties significantly. Thus, studying O chemisorption on a Zr surface is of great interest. We investigated O adsorption on a Zr(0001) surface using our newly developed structure-searching method combined with first-principles calculations. A novel structural prototype with a unique combination of surface face-centered cubic (SFCC) and surface hexagonal close-packed (SHCP) O adsorption sites was predicted using a single-layer adsorption model (SLAM) for a 0.5 and 1.0 monolayer (ML) O coverage. First-principles calculations based on the SLAM revealed that the new predicted structures are energetically favorable compared with the well-known SFCC structures for a low O coverage (0.5 and 1.0 ML). Furthermore, on basis of our predicted SFCC + SHCP structures, a new structure within multi-layer adsorption model (MLAM) was proposed to be more stable at the O coverage of 1.0 ML, in which adsorbed O atoms occupy the SFCC + SHCP sites and the substitutional octahedral sites. The calculated work functions indicate that the SFCC + SHCP configuration has the lowest work function of all known structures at an O coverage of 0.5 ML within the SLAM, which agrees with the experimental trend of work function with variation in O coverage.

Photoelectron diffraction studies of small adsorbates on single crystal surfaces

International Nuclear Information System (INIS)

Pascal, Mathieu

2002-01-01

The structural determination of small molecules adsorbed on single crystal surfaces has been investigated using scanned energy mode photoelectron diffraction (PhD). The experimental PhD data were compared to theoretical models using a simulation program based on multiple scattering calculations. Three adsorption systems have been examined on Ag(110), Cu(110) and Cu(111) crystals. The structure of the (2x1)-O adsorption phase on Ag(110) revealed that the O atoms occupied the long bridge site and are almost co-planar with the top layer of Ag atoms. The best agreement between multiple scattering theory and experiment has been obtained for a missing-row (or equivalently an 'added- row') reconstruction. Alternative buckled-row and unreconstructed surface models can be excluded. The adsorption of the benzoate species on Cu(110) has been found to occur via the carboxylate group. The molecules occupy short bridge sites with the O atoms being slightly displaced from atop sites and are aligned along the close-packed azimuth. The tilt of the molecule with respect to the surface and the degree to which the surface is relaxed have also been investigated. The adsorption of methyl on Cu(111) was studied using either azomethane or methyl iodide to prepare the surface layers. At saturation coverage the preferred adsorption site is the fcc threefold hollow site, whereas at half saturation coverage ∼ 30 % of the methyl species occupy the hop threefold hollow sites. Best agreement between theory and experiment corresponded to a methyl group adsorbed with C 3v symmetry. The height of the C above the surface in a pure methyl layer was 1.66 ± 0.02 A, but was reduced to 1.62 ± 0.02 A in the presence of co-adsorbed iodine, suggesting that iodine increases the strength of adsorption. Iodine was also found to occupy the fee threefold hollow sites with a Cu-l bondlength of 2.61 ± 0.02 A. (author)

Antimicrobial activity of nisin adsorbed to surfaces commonly used in the food industry.

Science.gov (United States)

Guerra, Nelson P; Araujo, Ana Belén; Barrera, Ana M; Agrasar, Ana Torrado; Macías, Cristina López; Carballo, Julia; Pastrana, Lorenzo

2005-05-01

The adsorption isotherms of nisin to three food contact surfaces, stainless steel, polyethyleneterephthalate (PET), and rubber at 8, 25, 40, and 60 degrees C, were calculated. For all surfaces, the increase in temperature led to a decrease in the affinity between nisin and the surface. The rubber adsorbed a higher amount of nisin (0.697 microg/cm2) in comparison with PET (0.665 microg/cm2) and stainless steel (0.396 microg/cm2). Adsorption of nisin to the stainless steel surface described L-2 type curves for all temperatures assayed. However, for PET and rubber surfaces, the isotherms were L-2 type (at 40 and 60 degrees C) and L-4 type curves (at 8 and 25 degrees C). Nisin retained its antibacterial activity once adsorbed to the food contact surfaces and was able to inhibit the growth of Enterococcus hirae CECT 279 on Rothe agar medium. The attachment of three Listeria monocytogenes strains to the three surfaces was found to be dependent on the surface, the strain, and the initial bacterial suspension in contact with the surface. The adsorption of Nisaplin on surfaces reduced the attachment of all L. monocytogenes strains tested. The effect of PET-based bioactive packaging in food was very encouraging. When applied to a food system, nisin-adsorbed PET bottles reduced significantly (P < 0.05) the levels of the total aerobic plate counts in skim milk by approximately 1.4 log units after 24 days of refrigerated storage (4 degrees C), thus extending its shelf life.

The potential use of rainwater as alternative source of drinking water by using laterite soil as natural adsorbent

Science.gov (United States)

Omar, Khairunnisa Fakhriah Mohd; Palaniandy, Puganeshwary; Adlan, Mohd Nordin; Aziz, Hamidi Abdul; Subramaniam, Ambarasi

2017-10-01

Generally, the rainwater has low concentration of pollutants, whereby it is applicable for domestic water supply. Due to the low concentration of pollutants, further treatment such as adsorption is necessary to treat the harvested rainwater as an alternative source of drinking water supply. Therefore, this research has been carried out to determine the quality of rainwater from different types of locations, which are; rural residential area, urban residential area, agricultural area, industrial area, and open surface. The rainwater sampling was carried out from September 2014 to December 2015. The parameters that have been analysed during the sampling process are chemical oxygen demand (COD), turbidity, heavy metals, and Escherichia coli (E.coli). The sampling results show that the rainwater provides low concentration of contaminants. Thus, it has high potential to be used as alternative source of potable and non potable water supply with a suitable treatment. Due to that, an experimental work contained of 86 of designated experiments for a batch study has been carried out to determine the performance of laterite soil as an adsorbent to remove pollutants that present in the rainwater (i.e. zinc, manganese, and E.coli). The operating factors involved in the experimental works are pH, mass of adsorbents, contact time, initial concentration of zinc, manganese, and E.coli. In this study, the experimental data of the batch study was analysed by developing regression model equation and analysis of variance. Perturbation plots were analysed to determine the effectiveness of the operating factors by developing response surface model, resulting that the high removals of zinc, manganese, and E.coli are 95.8%, 94.05% and 100%, respectively. Overall, this research works found out that the rainwater has a good quality as alternative source of drinking water by providing a suitable treatment. The application of laterite soil as natural adsorbent shows that it has potential to be

Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

Science.gov (United States)

Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

2008-03-01

Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

Resonance studies of H atoms adsorbed on frozen H2 surfaces

International Nuclear Information System (INIS)

Crampton, S.B.

1980-01-01

Observations are reported of the ground state hyperfine resonance of hydrogen atoms stored in a 5 cm. diameter bottle coated with frozen molecular hydrogen. Dephasing of the hyperfine resonance while the atoms are adsorbed produces frequency shifts which vary by a factor of two over the temperature range 3.7 K to 4.6 K and radiative decay rates which vary by a factor of five over this range. The magnitudes and temperature dependences of the frequency shifts and decay rates are consistent with a non-uniform distribution of surface adsorption energies with mean about 38(8) K, in agreement with theoretical estimates for a smooth surface. Extrapolation of the 30 nanosec. mean adsorption times at 4.2 K predicts very long adsorption times for H on H 2 below 1 K. Studies of level population recovery rates provide evidence for surface electron spin exchange collisions between adsorbed atoms with collision duration long compared to the hyperfine period, suggesting that the atoms are partially mobile on the surface. The lowest rates observed for level population recovery set a lower limit of about 500 atom-surface collisions at 4.2 K without recombination

pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)-Water Interface.

Science.gov (United States)

Ambrosio, Francesco; Wiktor, Julia; Pasquarello, Alfredo

2018-03-28

We present a theoretical formulation for studying the pH-dependent interfacial coverage of semiconductor-water interfaces through ab initio electronic structure calculations, molecular dynamics simulations, and the thermodynamic integration method. This general methodology allows one to calculate the acidity of the individual adsorption sites on the surface and consequently the pH at the point of zero charge, pH PZC , and the preferential adsorption mode of water molecules, either molecular or dissociative, at the semiconductor-water interface. The proposed method is applied to study the BiVO 4 (010)-water interface, yields a pH PZC in excellent agreement with the experimental characterization. Furthermore, from the calculated p K a values of the individual adsorption sites, we construct an ab initio concentration diagram of all adsorbed species at the interface as a function of the pH of the aqueous solution. The diagram clearly illustrates the pH-dependent coverage of the surface and indicates that protons are found to be significantly adsorbed (∼1% of available sites) only in highly acidic conditions. The surface is found to be mostly covered by molecularly adsorbed water molecules in a wide interval of pH values ranging from 2 to 8. Hydroxyl ions are identified as the dominant adsorbed species at pH larger than 8.2.

Adsorbates on cobalt and platinum single crystal surfaces studied by STM

Energy Technology Data Exchange (ETDEWEB)

Venvik, Hilde Johnsen

1998-12-31

This thesis on surface physics may contribute to the understanding of catalysts and so be of interest to companies working on oil and natural gas refining. The thesis deals with room temperature experimental investigations of adsorbates of CO and C{sub 2}H{sub 4} gases on Co and Pt single crystal surfaces. 252 refs., 51 figs., 1 table

Equilibrium and heat of adsorption of diethyl phthalate on heterogeneous adsorbents

Energy Technology Data Exchange (ETDEWEB)

Zhang, W.M.; Xu, Z.W.; Pan, B.C.; Hong, C.H.; Jia, K.; Jiang, P.J.; Zhang, Q.J.; Pan, B.J. [Nanjing University, Nanjing (China)

2008-09-15

Removal of phthalate esters from water has been of considerable concern recently. In the present study, the adsorptive removal performance of diethyl phthalate (DEP) from water was investigated with the aminated polystyrene resin (NDA-101) and oxidized polystyrene resin (NDA-702). In addition, the commercial homogeneous polystyrene resin (XAD-4) and acrylic ester resin (Amberlite XAD-7) as well as coal-based granular activated carbon (AC-750) were chosen for comparison. The corresponding equilibrium isotherms are well described by the Freundlich equation and the adsorption capacities for DEP followed the order NDA-702 > NDA-101 > AC-750 > XAD-4 > XAD-7. Analysis of adsorption mechanisms suggested that these adsorbents spontaneously adsorb DEP molecules driven mainly by enthalpy change, and the adsorption process was derived by multiple adsorbent-adsorbate interactions such as hydrogen bonding, {pi}-{pi} stacking, and micropore filling. The information related to the adsorbent surface heterogeneity and the adsorbate-adsorbate interaction was obtained by Do's model. All the results indicate that heterogeneous resins NDA-702 and NDA-101 have excellent potential as an adsorption material for the removal of DEP from the contaminated water.

Investigation of A-3 adsorbent-ditolylmethane two-phase system

International Nuclear Information System (INIS)

Ermakov, V.A.; Benderskaya, O.S.

1988-01-01

Compatibility of A-3 adsorbent, produced on the basis of palygoskite clay, with organic coolant of nuclear reactors-ditolylmethane (DTM)- and the possibility to use the given adsorbent for DTM purification from surfactant impurities are investigated. Compatibility of the adsorbent with DTM was evaluated by the concentration of its constituents in liquid phase. Sufactant adsorption was observed by the change in acid number of coolant, optical density at λ=396 nm and adsorbate mass in the adsorbent. From spent adsorbent the coolant was washed out by n-heptane, and the adsorbate - by methylene chloride, othanol and water in succession. On the basis of the results obtained the conclusion is made that A3 possesses a high chemical stability in DTM medium, i.e. it is compatible with DTM and can be used for its purification from surfactant impurities sorbed on heat-transferring surface

A quantum mechanical study of water adsorption on the (110) surfaces of rutile SnO₂ and TiO₂: investigating the effects of intermolecular interactions using hybrid-exchange density functional theory.

Science.gov (United States)

Patel, M; Sanches, F F; Mallia, G; Harrison, N M

2014-10-21

Periodic hybrid-exchange density functional theory calculations are used to explore the first layer of water at model oxide surfaces, which is an important step for understanding the photocatalytic reactions involved in solar water splitting. By comparing the structure and properties of SnO2(110) and TiO2(110) surfaces in contact with water, the effects of structural and electronic differences on the water chemistry are examined. The dissociative adsorption mode at low coverage (1/7 ML) up to monolayer coverage (1 ML) on both SnO2 and TiO2(110) surfaces is analysed. To investigate further the intermolecular interactions between adjacent adsorbates, monolayer adsorption on each surface is explored in terms of binding energies and bond lengths. Analysis of the water adsorption geometry and energetics shows that the relative stability of water adsorption on SnO2(110) is governed largely by the strength of the chemisorption and hydrogen bonds at the surface of the adsorbate-substrate system. However on TiO2(110), a more complicated scenario of the first layer of water on its surface arises in which there is an interplay between chemisorption, hydrogen bonding and adsorbate-induced atomic displacements in the surface. Furthermore the projected density of states of each surface in contact with a mixture of adsorbed water molecules and adsorbed hydroxyls is presented and sheds some light on the nature of the crystalline chemical bonds as well as on why adsorbed water has often been reported to be unstable on rutile SnO2(110).

Examination of uranium recovery technique from sea water using natural components for adsorbent

International Nuclear Information System (INIS)

Tanaka, Nobuyuki; Masaki, Hiroyuki; Shimizu, Takao; Tokiwai, Moriyasu

2010-01-01

In this study, we investigated the potency of natural components as adsorbent for uranium recovery from seawater. In addition, cost evaluation of uranium recovery from seawater using natural components for adsorbents was performed. Furthermore, new ideas on reservation system of adsorbents at sea area were proposed. Several poly-phenols were selected as adsorbent reagents, then they were adsorbed on the support such as cotton fiber by several methods as the followings; chemical syntheses, electrical beam irradiation, and traditional dyeing. As a result, the adsorbent made by traditional dyeing method using gallnut tannin as natural component, was showed high performance for uranium recovery from seawater on only the first. It was evaluated that traditional dyeing method had also advantage in the manufacturing cost, comparing with earlier method. Additionally, it was considered that reservation system of adsorbent at sea was able to be simplified compared with earlier system. Consequently, uranium recovery from sea water using natural components as adsorbent proposed in this study had a potency of practical use. (author)

The determination of optimum condition in water hyacinth drying process by mixed adsorption drying method and modified fly ash as an adsorbent

Science.gov (United States)

Saputra, Asep Handaya; Putri, Rizky Anggreini

2017-05-01

Water hyacinth is an aquatic weed that has a very fast growth which makes it becomes a problem to the ecosystem. On the other hand, water hyacinth has a high fiber content (up to 20% by weight) which makes it potential to become raw material for composites and textile industries. As an aquatic plant, water hyacinth has a high initial moisture content that reaches more than 90%. Meanwhile the moisture content of fiber as a raw material for composite and textile industry should not be more than 10% to maintain the good quality of the products. Mixed adsorption drying method is one of the innovative method that can replace conventional drying process. Fluidization method which has been commonly used in agricultural and pharmaceutical products drying, can be enhanced by combining it with the adsorption method as performed in this study. In mixed fluidization-adsorption drying method, fly ash as adsorbent and water hyacinth fiber were put together into the fluidization column where the drying air evaporate the moisture content in water hyacinth fiber. In addition, the adsorbent adsorb the moisture content in the drying air to make the moisture content of the drying air remain low. The drying process is performed in various temperature and composition of water hyacinth and adsorbent in order to obtain the optimum drying condition. In addition, the effect of fly ash pellet and fly ash powder to the drying process was also performed. The result shows that the higher temperature and the more amount of adsorbent results in the faster drying rate. Fly ash pellet shows a better adsorption since it has a smaller pore diameter and wider surface area. The optimum temperature obtained from this study is 60°C and the optimum ratio of water hyacinth and fly ash is 50:50.

Modification of H2O adsorbed Si(100)-(2 x 1) surface by photon and electron beam

International Nuclear Information System (INIS)

Moon, S.W.; Chung, S.M.; Hwang, C.C.; Ihm, K.W.; Kang, T.-H.; Chen, C.H.; Park, C.-Y.

2004-01-01

Full text: Oxidation of silicon has been the subject of intense scientific and technological interest due to the several uses of thin oxide films as insulating layers in microelectronic devices. The great strides have been made in understanding about the formation and thermal evolution of the Si/SiO 2 interface. In this presentation, we provide synchrotron radiation photoemission spectroscopy (SRPES) and photoemission electron microscope (PEEM) results, showing how a H 2 O adsorbed Si(100) surface evolves into an ultra-thin silicon oxide m when exposed to monochromatized synchrotron radiation and electron beam at room temperature. All SRPES, PEEM experiments have been performed at the beam line, 4B1, of Pohang Light Source (PLS) in Korea. Water dissociates into OH(a) and H(a) species upon adsorption on the Si(100)-(2 - 1) at room temperature. The bonding (b 2 ) and antibonding (a 1 ) OH orbital and the oxygen lone pair orbital (b 1 ) from the dissociated OH and H species has been identified in ultraviolet photoemission spectra (UPS). These structures gradually changed and a new silicon oxide peak appeared with the photon/E-beam irradiation. This indicates that the H 2 O adsorbed on Si surface transforms into a thin silicon oxide film by photon/E-beam irradiation. We have shown in our PEEM images that one can make micro-patterns on silicon surface by using the photon induced surface modification. The fabricated patterns can be clearly identified through the inverse contrast images between photon exposed region and unexposed one. The near edge x-ray absorption fine structure (NEXAFS) results revealed that the OH adsorbed Si surface transforms into a thin silicon oxide film by photon irradiation

Recovery or removal of uranium contained in small quantity in waste water by tannic-group adsorbent

Energy Technology Data Exchange (ETDEWEB)

Komoto, Shigetoshi [Power Reactor and Nuclear Fuel Development Corp., Kamisaibara, Okayama (Japan). Ningyo Toge Works

1991-12-01

It was found that tannic compounds have a very strong affinity for uranium and thorium which are nuclear fuel materials, and the new uranium adsorbents composed mainly by tannic-group compounds were made. The solid-state refractory persimmon tannins in those compounds has the most superior capacity for uranium as high as 1.7 g of uranium on 1 g of the adsorbent. The tests adsorbing uranium on the adsorbent are carried out practically by using dam water of Ningyo-toge Works, PNC. Adsorption tests changed the pH or temperature of dam water, elution test, and adsorption-elution repeating test were performed, and it was found that uranium in dam water contained from ppb-level to ppm-level was recovered or removed with very excellent efficiency. (author).

Role of Defects and Adsorbed Water Film in Influencing the Electrical, Optical and Catalytic Properties of Transition Metal Oxides

Science.gov (United States)

Wang, Qi

obtain a mechanistic understanding of the charge transfer process. We have developed a spectroscopic technique for studying vacancy defects in TMOs using near-infrared photoluminescence (NIR-PL) spectroscopy and showed that this technique is uniquely suited for studying defect-adsorbate interactions. In this work, a series of studies were carried out to elucidate the underlying structure-defect-property correlations of TMOs and their role in catalyzing electrical and electrochemical properties. In the first study, we report a new type of electrical phase transition in p-type, non-stoichiometric nickel oxide involving a semiconductor-to-insulator-to-metal transition along with the complete change of conductivity from p- to n-type at room temperature induced by electrochemical Li+ intercalation. Direct observation of vacancy-ion interactions using in-situ NIR-PL show that the transition is a result of passivation of native nickel (cationic) vacancy defects and subsequent formation of oxygen (anionic) vacancy defects driven by Li+ insertion into the lattice. X-ray photoemission spectroscopy studies performed to examine the changes in the oxidation states of nickel due to defect interactions support the above conclusions. In the second study, main effects of oxygen vacancy defects on the electronic and optical properties of V2O5 nanowires were studied using in-situ Raman, photoluminescence, absorption, and photoemission spectroscopy. We show that both thermal reduction and electrochemical reduction via Li+ insertion results in the creation of oxygen vacancy defects in the crystal that leads to band filling and an increase in the optical band gap of V2O5 from 1.95 eV to 2.45 eV, an effect known as the Burstein-Moss effect. In the third study, we report a new type of semiconductor-adsorbed water interaction in metal oxides known as "electrochemical surface transfer doping," a phenomenon that has been previously been observed on hydrogen-terminated diamond, carbon nanotube

SFG investigation of adsorbed CO and NO on NiO(111) surface

Energy Technology Data Exchange (ETDEWEB)

Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki [Tokyo Inst. of Tech., Yokohama (Japan). Research Lab. of Resources Utilization; Kano, S.S.

1997-07-01

Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm{sup -1} on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm{sup -1} on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm{sup -1}, respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm{sup -1} only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

SFG investigation of adsorbed CO and NO on NiO(111) surface

International Nuclear Information System (INIS)

Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki; Kano, S.S.

1997-01-01

Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm -1 on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm -1 on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm -1 , respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm -1 only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

Surface atomic relaxation and magnetism on hydrogen-adsorbed Fe(110) surfaces from first principles

Energy Technology Data Exchange (ETDEWEB)

Chohan, Urslaan K.; Jimenez-Melero, Enrique [School of Materials, The University of Manchester, Manchester M13 9PL (United Kingdom); Dalton Cumbrian Facility, The University of Manchester, Moor Row CA24 3HA (United Kingdom); Koehler, Sven P.K., E-mail: sven.koehler@manchester.ac.uk [Dalton Cumbrian Facility, The University of Manchester, Moor Row CA24 3HA (United Kingdom); School of Chemistry, The University of Manchester, Manchester M13 9PL (United Kingdom); Photon Science Institute, The University of Manchester, Manchester M13 9PL (United Kingdom)

2016-11-30

Highlights: • Potential energy surfaces for H diffusion on Fe(110) calculated. • Full vibrational analysis of surface modes performed. • Vibrational analysis establishes lb site as a transition state to the 3f site. • Pronounced buckling observed in the Fe surface layer. - Abstract: We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for hydrogen adsorbed on a body-centred-cubic Fe(110) surface as a function of the degree of H coverage. This adsorption system is important in a variety of technological processes such as the hydrogen embrittlement in ferritic steels, which motivated this work, and the Haber–Bosch process. We employed spin-polarised density functional theory to optimise geometries of a six-layer Fe slab, followed by frozen mode finite displacement phonon calculations to compute Fe–H vibrational frequencies. We have found that the quasi-threefold (3f) site is the most stable adsorption site, with adsorption energies of ∼3.0 eV/H for all coverages studied. The long-bridge (lb) site, which is close in energy to the 3f site, is actually a transition state leading to the stable 3f site. The calculated harmonic vibrational frequencies collectively span from 730 to 1220 cm{sup −1}, for a range of coverages. The increased first-to-second layer spacing in the presence of adsorbed hydrogen, and the pronounced buckling observed in the Fe surface layer, may facilitate the diffusion of hydrogen atoms into the bulk, and therefore impact the early stages of hydrogen embrittlement in steels.

Electrolysis of water on (oxidized) metal surfaces

DEFF Research Database (Denmark)

Rossmeisl, Jan; Logadottir, Ashildur; Nørskov, Jens Kehlet

2005-01-01

Density functional theory calculations are used as the basis for an analysis of the electrochemical process, where by water is split to form molecular oxygen and hydrogen. We develop a method for obtaining the thermochemistry of the electrochemical water splitting process as a function of the bias...... directly from the electronic structure calculations. We consider electrodes of Pt(111) and Au(111) in detail and then discuss trends for a series of different metals. We show that the difficult step in the water splitting process is the formation of superoxy-type (OOH) species on the surface...... by the splitting of a water molecule on top an adsorbed oxygen atom. One conclusion is that this is only possible on metal surfaces that are (partly) oxidized. We show that the binding energies of the different intermediates are linearly correlated for a number of metals. In a simple analysis, where the linear...

Role of structure and glycosylation of adsorbed protein films in biolubrication.

Directory of Open Access Journals (Sweden)

Deepak H Veeregowda

Full Text Available Water forms the basis of lubrication in the human body, but is unable to provide sufficient lubrication without additives. The importance of biolubrication becomes evident upon aging and disease, particularly under conditions that affect secretion or composition of body fluids. Insufficient biolubrication, may impede proper speech, mastication and swallowing, underlie excessive friction and wear of articulating cartilage surfaces in hips and knees, cause vaginal dryness, and result in dry, irritated eyes. Currently, our understanding of biolubrication is insufficient to design effective therapeutics to restore biolubrication. Aim of this study was to establish the role of structure and glycosylation of adsorbed protein films in biolubrication, taking the oral cavity as a model and making use of its dynamics with daily perturbations due to different glandular secretions, speech, drinking and eating, and tooth brushing. Using different surface analytical techniques (a quartz crystal microbalance with dissipation monitoring, colloidal probe atomic force microscopy, contact angle measurements and X-ray photo-electron spectroscopy, we demonstrated that adsorbed salivary conditioning films in vitro are more lubricious when their hydrophilicity and degree of glycosylation increase, meanwhile decreasing their structural softness. High-molecular-weight, glycosylated proteins adsorbing in loops and trains, are described as necessary scaffolds impeding removal of water during loading of articulating surfaces. Comparing in vitro and in vivo water contact angles measured intra-orally, these findings were extrapolated to the in vivo situation. Accordingly, lubricating properties of teeth, as perceived in 20 volunteers comprising of equal numbers of male and female subjects, could be related with structural softness and glycosylation of adsorbed protein films on tooth surfaces. Summarizing, biolubrication is due to a combination of structure and glycosylation

Adsorption of Mefenamic Acid From Water by Bentonite Poly urea formaldehyde Composite Adsorbent

Directory of Open Access Journals (Sweden)

Basma Abbas Abdel Majeed

2017-07-01

Full Text Available Poly urea formaldehyde –Bentonite (PUF-Bentonite composite was tested as new adsorbent for removal of mefenamic acid (MA from simulated wastewater in batch adsorption procedure. Developed a method for preparing poly urea formaldehyde gel in basic media by using condensation polymerization. Adsorption experiments were carried out as a function of water pH, temperature, contact time, adsorbent dose and initial MA concentration .Effect of sharing surface with other analgesic pharmaceuticals at different pH also studied. The adsorption of MA was found to be strongly dependent to pH. The Freundlich isotherm model showed a good fit to the equilibrium adsorption data. From Dubinin–Radushkevich model the mean free energy (E was calculated and the value of 5 KJ/mole indicated that the main mechanism governing the adsorption of MA on PUF-Bentonite composite was physical in nature. The kinetics of adsorption tested for first order, pseudo second order models and Elovich’s equation, results showed the adsorption followed the pseudo-second-order model

Surface atomic relaxation and magnetism on hydrogen-adsorbed Fe(110) surfaces from first principles

Science.gov (United States)

Chohan, Urslaan K.; Jimenez-Melero, Enrique; Koehler, Sven P. K.

2016-11-01

We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for hydrogen adsorbed on a body-centred-cubic Fe(110) surface as a function of the degree of H coverage. This adsorption system is important in a variety of technological processes such as the hydrogen embrittlement in ferritic steels, which motivated this work, and the Haber-Bosch process. We employed spin-polarised density functional theory to optimise geometries of a six-layer Fe slab, followed by frozen mode finite displacement phonon calculations to compute Fe-H vibrational frequencies. We have found that the quasi-threefold (3f) site is the most stable adsorption site, with adsorption energies of ∼3.0 eV/H for all coverages studied. The long-bridge (lb) site, which is close in energy to the 3f site, is actually a transition state leading to the stable 3f site. The calculated harmonic vibrational frequencies collectively span from 730 to 1220 cm-1, for a range of coverages. The increased first-to-second layer spacing in the presence of adsorbed hydrogen, and the pronounced buckling observed in the Fe surface layer, may facilitate the diffusion of hydrogen atoms into the bulk, and therefore impact the early stages of hydrogen embrittlement in steels.

Infrared spectroscopic and voltammetric study of adsorbed CO on stepped surfaces of copper monocrystalline electrodes

International Nuclear Information System (INIS)

Koga, O.; Teruya, S.; Matsuda, K.; Minami, M.; Hoshi, N.; Hori, Y.

2005-01-01

Voltammetric and infrared (IR) spectroscopic measurements were carried out to study adsorbed CO on two series of copper single crystal electrodes n(111)-(111) and n(111)-(100) in 0.1M KH 2 PO 4 +0.1M K 2 HPO 4 at 0 o C. Reversible voltammetric waves were observed below -0.55V versus SHE for adsorption of CO which displaces preadsorbed phosphate anions. The electric charge of the redox waves is proportional to the step atom density for both single crystal series. This fact indicates that phosphate anions are specifically adsorbed on the step sites below -0.55V versus SHE. Voltammetric measurements indicated that (111) terrace of Cu is covered with adsorbed CO below -0.5V versus SHE. Nevertheless, no IR absorption band of adsorbed CO is detected from (111) terrace. Presence of adsorbed CO on (111) terrace is presumed which is not visible by the potential difference spectroscopy used in the present work. IR spectroscopic measurements showed that CO is reversibly adsorbed with an on-top manner on copper single crystal electrodes of n(111)-(111) and n(111)-(100) with approximately same wavenumber of C?O stretching vibration of 2070cm -1 . The IR band intensity is proportional to the step atom density. Thus CO is adsorbed on (111) or (100) steps on the single crystal surfaces. An analysis of the IR band intensity suggested that one CO molecule is adsorbed on every two or more Cu step atom of the monocrystalline surface. The spectroscopic data were compared with those reported for uhv system. The C-O stretching wavenumber of adsorbed CO in the electrode-electrolyte system is 30-40cm -1 lower than those in uhv system

Surface-state mediated three-adsorbate interaction: exact and numerical results and simple asymptotic expression

International Nuclear Information System (INIS)

Hyldgaard, Per; Einstein, T.L.

2003-01-01

The interaction energy of three adsorbates on a surface consists of the sum of the three-pair interactions plus a trio contribution produced primarily by interference of electrons which traverse the entire perimeter, d 123 , of the three-adsorbate cluster. Here, we investigate this three-adatom interaction when mediated by the isotropic Shockley surface-state band found on noble-metal (1 1 1) surfaces, extending work on pair interactions. Our experimentally testable result depends on the s-wave phase-shift, characterizing the standing-wave patterns seen in scanning-tunneling microscopy (STM) images. Compared with the adsorbate-pair interactions, and in contrast to bulk-mediated interactions, the trio contribution exhibits a slightly weaker amplitude and a slightly faster asymptotic envelope decay, d 123 -5/2 . It also has a different but well-defined oscillation period dependent on d 123 and little dependence on the shape of the cluster. We finally compare the asymptotic description with exact model calculations assuming short-range interactions, which are viable even in the non-asymptotic range (when not outweighed by bulk-mediated interactions)

LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

International Nuclear Information System (INIS)

Koestner, R.J.

1982-08-01

There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C 2 H 2 and C 2 H 4 adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals

Surface enhanced Raman scattering of new acridine based fluorophore adsorbed on silver electrode

Science.gov (United States)

Solovyeva, Elena V.; Myund, Liubov A.; Denisova, Anna S.

2015-10-01

4,5-Bis(N,N-di(2-hydroxyethyl)iminomethyl)acridine (BHIA) is a new acridine based fluoroionophore and a highly-selective sensor for cadmium ion. The direct interaction of the aromatic nitrogen atom with a surface is impossible since there are bulky substituents in the 4,5-positions of the acridine fragment. Nevertheless BHIA molecule shows a reliable SERS spectrum while adsorbed on a silver electrode. The analysis of SERS spectra pH dependence reveals that BHIA species adsorbed on a surface can exist in both non-protonated and protonated forms. The adsorption of BHIA from alkaline solution is accompanied by carbonaceous species formation at the surface. The intensity of such "carbon bands" turned out to be related with the supporting electrolyte (KCl) concentration. Upon lowering the electrode potential the SERS spectra of BHIA do not undergo changes but the intensity of bands decreases. This indicates that the adsorption mechanism on the silver surface is realized via aromatic system of acridine fragment. In case of such an adsorption mechanism the chelate fragment of the BHIA molecule is capable of interaction with the solution components. Addition of Cd2+ ions to a system containing BHIA adsorbed on a silver electrode in equilibrium with the solution leads to the formation of BHIA/Cd2+ complex which desorption causes the loss of SERS signal.

CHEMICAL REACTIONS ON ADSORBING SURFACE: KINETIC LEVEL OF DESCRIPTION

Directory of Open Access Journals (Sweden)

P.P.Kostrobii

2003-01-01

Full Text Available Based on the effective Hubbard model we suggest a statistical description of reaction-diffusion processes for bimolecular chemical reactions of gas particles adsorbed on the metallic surface. The system of transport equations for description of particles diffusion as well as reactions is obtained. We carry out the analysis of the contributions of all physical processes to the formation of diffusion coefficients and chemical reactions constants.

Magnetic susceptibility of oxygen adsorbed on the surface of spherical and fibrous activated carbon.

Directory of Open Access Journals (Sweden)

Kiyoshi Kawamura

2009-02-01

Full Text Available The magnetic susceptibilities of oxygen adsorbed on the surface of bead-shaped activated carbon and activated carbon fibers were evaluated as a function of temperature between 4.2 K and 300 K, and found to exhibit a sharp peak at around 50 K. This implies that the adsorbed oxygen molecules form an antiferromagnetic state. The relation between the susceptibility and the adsorbed mass suggest that the thickness of the adsorbed oxygen is thin enough to consider a two-dimensional structure for bead–shaped activated carbon and carbon fibers across the fiber axis but thick enough to regard it as three-dimensional along the fiber axis. The result is discussed with reference to the study on one-dimensional oxygen array.

Controlled enzymatic cutting of DNA molecules adsorbed on surfaces using soft lithography

Science.gov (United States)

Auerbach, Alyssa; Budassi, Julia; Shea, Emily; Zhu, Ke; Sokolov, Jonathan

2013-03-01

The enzyme DNase I was applied to adsorbed and aligned DNA molecules (Lamda, 48.5 kilobase pairs (kbp), and T4, 165.6 kbp), stretched linearly on a surface, by stamping with a polydimethylsiloxane (PDMS) grating. The DNAs were cut by the enzyme into separated, micron-sized segments along the length of the molecules at positions determined by the grating dimensions (3-20 microns). Ozone-treated PDMS stamps were coated with DNase I solutions and placed in contact with surface-adsorbed DNA molecules deposited on a 750 polymethylmethacrylate (PMMA) film spun-cast onto a silicon substrate. The stamps were applied under pressure for times up to 15 minutes at 37 C. The cutting was observed by fluorescence microscopy imaging of DNA labeled with YOYO dye. Cutting was found to be efficient despite the steric hindrance due to surface attachment of the molecules. Methods for detaching and separating the cut segments for sequencing applications will be discussed. Supported by NSF-DMR program.

Removal of selenium species from waters using various surface-modified natural particles and waste materials

Energy Technology Data Exchange (ETDEWEB)

Yigit, Nevzat O.; Tozum, Seda [Department of Environmental Engineering, Suleyman Demirel University, Isparta (Turkey)

2012-07-15

Waste red mud and natural pumice/volcanic slag particles were surface modified and their selenium adsorption from waters was investigated. Acid activation/heat treatment of original red mud (ORM) particles significantly increased their micropore and external surface area and cumulative volume of pores. Iron oxide coating of pumice/slags and acid activation of ORM decreased their pH{sub pzc} values and increased surface acidity. Selenite/selenate adsorption on iron oxide surfaces and acid activated red mud (AARM) was very fast with approximately first-order adsorption kinetics. Iron oxide coating of pumice/slag and acid activation of ORM particles significantly enhanced their selenite and selenate uptakes. Maximum Se adsorption capacities as high as 6.3 (mg Se/g adsorbent) were obtained by AARM. The extent of selenate uptakes by the surface modified particles was generally lower than those of selenite. Due to competition among Se species and other background water matrix for iron oxide adsorption sites, reduced selenite/selenate uptakes were found in natural water compared to single solute tests. Higher Se uptakes by iron oxide surfaces were found at pH 7.5 compared to pH 8.9, due to increased electrostatic repulsion among iron oxides and Se species at higher pH. The most effective adsorbents among the tested 17 different particles for Se uptake were AARM and iron oxide coated pumice. Se concentrations less than drinking water standards (5-10 {mu}g/L) can be achieved by these particles. These low-cost, natural, or recyclable waste particles appear to be promising adsorbents for Se removal after their surface modification. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ceria modified activated carbon: an efficient arsenic removal adsorbent for drinking water purification

Science.gov (United States)

Sawana, Radha; Somasundar, Yogesh; Iyer, Venkatesh Shankar; Baruwati, Babita

2017-06-01

Ceria (CeO2) coated powdered activated carbon was synthesized by a single step chemical process and demonstrated to be a highly efficient adsorbent for the removal of both As(III) and As(V) from water without any pre-oxidation process. The formation of CeO2 on the surface of powdered activated carbon was confirmed by X-ray diffraction, Raman spectroscopy and X-ray photoelectron spectroscopy. The percentage of Ce in the adsorbent was confirmed to be 3.5 % by ICP-OES. The maximum removal capacity for As(III) and As(V) was found to be 10.3 and 12.2 mg/g, respectively. These values are comparable to most of the commercially available adsorbents. 80 % of the removal process was completed within 15 min of contact time in a batch process. More than 95 % removal of both As(III) and As(V) was achieved within an hour. The efficiency of removal was not affected by change in pH (5-9), salinity, hardness, organic (1-4 ppm of humic acid) and inorganic anions (sulphate, nitrate, chloride, bicarbonate and fluoride) excluding phosphate. Presence of 100 ppm phosphate reduced the removal significantly from 90 to 18 %. The equilibrium adsorption pattern of both As(III) and As(V) fitted well with the Freundlich model with R 2 values 0.99 and 0.97, respectively. The material shows reusability greater than three times in a batch process (arsenic concentration reduced below 10 ppb from 330 ppb) and a life of at least 100 L in a column study with 80 g material when tested under natural hard water (TDS 1000 ppm, pH 7.8, hardness 600 ppm as CaCO3) spiked with 330 ppb of arsenic.

Mechanisms and energetics of surface reactions at the copper-water interface. A critical literature review with implications for the debate on corrosion of copper in anoxic water

Energy Technology Data Exchange (ETDEWEB)

Johansson, Adam Johannes; Brinck, Tore [Applied Physical Chemistry, KTH Royal Inst. of Technology, Stockholm (Sweden)

2012-06-15

In order to make a critical analysis of the discussion of corrosion of copper in pure anoxic water it is necessary to understand the chemical reactivity at the copper-water interface. Even though the most fundamental issue, i.e. the nature and existence of a hypothetical product that is thermodynamically stable, is still under debate, it is clear that if anoxic corrosion really exists, it must be initiated through oxidative surface reactions at the copper-water interface. This report presents a survey of the peer reviewed literature on the reactivity of copper surfaces in water. Reactions discussed involve molecular adsorption of water, dissociation of the OH-bonds in adsorbed water molecules and hydroxyl groups, the disproportionation/synproportionation equilibrium between hydroxyl groups/hydroxide ions, water molecules and atomic oxygen, the surface diffusion of adsorbed species, and the formation of hydrogen gas (molecular hydrogen). Experimental, as well as theoretical (quantum chemical) studies are reviewed. It is concluded that a limited amount of hydrogen gas (H{sub 2}) should be formed as the result of dissociative water adsorption at certain copper surfaces. Quantitative estimates of the amounts of H2 that could form at the copper-water interface are made. Assuming that the water-cleavage/hydrogen-formation reaction proceeds on an ideal [110] or [100] surface until a hydroxyl monolayer (ML) is reached, the amount of H{sub 2} formed is {approx} 2.4 ng cm{sup -2} copper surface. Based on the literature cited, this is most likely possible, thermodynamically as well as kinetically. Although not proven, it is not unlikely that the reaction can proceed until an oxide ML is formed, which would give 4.8 ng cm{sup -2}. If the formation of an oxide ML is thermodynamically feasible the surface will probably react further, since Cu{sub 2}O(s) is known to activate and cleave the water molecule when it adsorbs at the Cu{sub 2}O(s) surface. Assuming the formation of a

Clarification of the mechanism of sulfur trioxide electrolysis. Evaluation of SO3 and O atom adsorbed on Pt surface

International Nuclear Information System (INIS)

Suzuki, Chikashi; Nakagiri, Toshio

2008-01-01

We developed a hybrid thermo-chemical process, which included a SO 3 electrolysis process utilizing the heat supplied by a fast breeder reactor (FBR), as a new hydrogen production process. To clarify the mechanism of SO 3 electrolysis, we evaluated the electronic states of SO 3 and O atom adsorbed on the Pt (111) surface using first-principles calculations with a slab model. Moreover, we evaluated the chemical bonding states of SO 3 and adsorbed O using molecular orbital calculation on the basis of the calculations using a slab model. We found that there were two stable adsorbed SO 3 configurations on the Pt surface. From the molecular orbital calculation, it was found that the S-O bond became weak by SO 3 absorption, and it was conjectured that SO 3 dissociation proceeded through the intermediate state of adsorbed SO 2 and adsorbed O on the Pt surface. Moreover, we derived the O coverage considering the adsorbed SO 2 and evaluated the influence of SO 3 adsorption energy on the O coverage. (author)

LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

Energy Technology Data Exchange (ETDEWEB)

Koestner, R.J.

1982-08-01

There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C/sub 2/H/sub 2/ and C/sub 2/H/sub 4/ adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals.

Simulation of adsorber tube diameter's effect on new design silica gel-water adsorption chiller

Science.gov (United States)

Nasruddin, Taufan, A.; Manga, A.; Budiman, D.

2017-03-01

A new design of silica gel-water adsorption chiller is proposed. The design configuration is composed of two sorption chambers with compact fin tube heat exchangers as adsorber, condenser, and evaporator. Heat and mass recovery were adopted in order to increase the cooling capacity. Numerical modelling and calculation were used to show the performance of the chiller with different adsorber tube diameter. Under typical condition for hot water inlet/cooling water inlet/chilled water outlet temperatures are 90/30/7°C, respectively, the simulation results showed the best average value of COP, SCP, and cooling power are 0.19, 15.88 W/kg and 279.89 W using 3/8 inch tube.

Extraction of triazole fungicides in environmental waters utilizing poly (ionic liquid)-functionalized magnetic adsorbent.

Science.gov (United States)

Liu, Cheng; Liao, Yingmin; Huang, Xiaojia

2017-11-17

This work prepared a new poly (ionic liquid)-functionalized magnetic adsorbent (PFMA) for the extraction of triazole fungicides (TFs) in environmental waters prior to determination by high performance liquid chromatography/diode array detection (HPLC-DAD). A polymerizable ionic liquid, 1-methyl-3-allylimidazolium bis(trifluoromethylsulfonyl)imide was employed to copolymerize with divinylbenzene on the surface of modified magnetite to fabricate the PFMA. The morphology, spectroscopic and magnetic properties of the new adsorbent were investigated by different techniques. A series of key parameters that influence the extraction performance including the amount of PFMA, desorption solvent, adsorption and desorption time, sample pH value and ionic strength were optimized in detail. Under the optimum conditions, the prepared PFMA could extract targeted TFs effectively and quickly under the format of magnetic solid-phase extraction (MSPE). Satisfactory linearities were achieved in the range of 0.1-200.0μg/L for triadimenol and 0.05-200.0μg/L for other TFs with good coefficients of determination above 0.99 for all analytes. The limits of detection (S/N=3) and limits of quantification (S/N=10) for TFs were in the range of 0.0050-0.0078μg/L and 0.017-0.026μg/L, respectively. Environmental waters including lake, river and well waters were used to demonstrate the applicability of developed MSPE-HPLC-DAD method, and satisfactory recoveries and repeatability were obtained. Copyright © 2017 Elsevier B.V. All rights reserved.

Theoretical Insight of Physical Adsorption for a Single Component Adsorbent + Adsorbate System: II. The Henry Region

KAUST Repository

Chakraborty, Anutosh

2009-07-07

The Henry coefficients of a single component adsorbent + adsorbate system are calculated from experimentally measured adsorption isotherm data, from which the heat of adsorption at zero coverage is evaluated. The first part of the papers relates to the development of thermodynamic property surfaces for a single-component adsorbent + adsorbate system1 (Chakraborty, A.; Saha, B. B.; Ng, K. C.; Koyama, S.; Srinivasan, K. Langmuir 2009, 25, 2204). A thermodynamic framework is presented to capture the relationship between the specific surface area (Ai) and the energy factor, and the surface structural and the surface energy heterogeneity distribution factors are analyzed. Using the outlined approach, the maximum possible amount of adsorbate uptake has been evaluated and compared with experimental data. It is found that the adsorbents with higher specific surface areas tend to possess lower heat of adsorption (ΔH°) at the Henry regime. In this paper, we have established the definitive relation between Ai and ΔH° for (i) carbonaceous materials, metal organic frameworks (MOFs), carbon nanotubes, zeolites + hydrogen, and (ii) activated carbons + methane systems. The proposed theoretical framework of At and AH0 provides valuable guides for researchers in developing advanced porous adsorbents for methane and hydrogen uptake. © 2009 American Chemical Society.

Surface speciation and interactions between adsorbed chloride and water on cerium dioxide

Science.gov (United States)

Sutherland-Harper, Sophie; Taylor, Robin; Hobbs, Jeff; Pimblott, Simon; Pattrick, Richard; Sarsfield, Mark; Denecke, Melissa; Livens, Francis; Kaltsoyannis, Nikolas; Arey, Bruce; Kovarik, Libor; Engelhard, Mark; Waters, John; Pearce, Carolyn

2018-06-01

Ceria particles with different specific surface areas (SSA) were contaminated with chloride and water, then heat treated at 500 and 900 °C to investigate sorption behaviour of these species on metal oxides. Results from x-ray photoelectron spectroscopy and infrared spectroscopy showed chloride and water adsorption onto particles increased with surface area and that these species were mostly removed on heat treatment (from 6.3 to 0.8 at% Cl- on high SSA and from 1.4 to 0.4 at% on low SSA particles). X-ray diffraction revealed that chloride was not incorporated into the bulk ceria structure, but crystal size increased upon contamination. Ce LIII-edge x-ray absorption spectroscopy confirmed that chloride was not present in the first co-ordination sphere around Ce(IV) ions, so was not bonded to Ce as chloride in the bulk structure. Sintering of contaminated high SSA particles occurred with heat treatment at 900 °C, and they resembled low SSA particles synthesised at this temperature. Physical chloride-particle interactions were investigated using electron microscopy and energy dispersive x-ray analysis, showing that chloride was homogeneously distributed on ceria and that reduction of porosity did not trap surface-sorbed chloride inside the particles as surface area was reduced during sintering. This has implications for stabilisation of chloride-contaminated PuO2 for long term storage.

Potential of polyaniline modified clay nanocomposite as a selective decontamination adsorbent for Pb(II) ions from contaminated waters; kinetics and thermodynamic study.

Science.gov (United States)

Piri, Somayeh; Zanjani, Zahra Alikhani; Piri, Farideh; Zamani, Abbasali; Yaftian, Mohamadreza; Davari, Mehdi

2016-01-01

Nowadays significant attention is to nanocomposite compounds in water cleaning. In this article the synthesis and characterization of conductive polyaniline/clay (PANI/clay) as a hybrid nanocomposite with extended chain conformation and its application for water purification are presented. Clay samples were obtained from the central plain of Abhar region, Abhar, Zanjan Province, Iran. Clay was dried and sieved before used as adsorbent. The conductive polyaniline was inflicted into the layers of clay to fabricate a hybrid material. The structural properties of the fabricated nanocomposite are studied by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscope (SEM). The elimination process of Pb(II) and Cd(II) ions from synthetics aqueous phase on the surface of PANI/clay as adsorbent were evaluated in batch experiments. Flame atomic absorption instrument spectrophotometer was used for determination of the studied ions concentration. Consequence change of the pH and initial metal amount in aqueous solution, the procedure time and the used adsorbent dose as the effective parameters on the removal efficiency was investigated. Surface characterization was exhibited that the clay layers were flaked in the hybrid nanocomposite. The results show that what happen when a nanocomposite polyaniline chain is inserted between the clay layers. The adsorption of ions confirmed a pH dependency procedure and a maximum removal value was seen at pH 5.0. The adsorption isotherm and the kinetics of the adsorption processes were described by Temkin model and pseudo-second-order equation. Time of procedure, pH and initial ion amount have a severe effect on adsorption efficiency of PANI/clay. By using suggested synthesise method, nano-composite as the adsorbent simply will be prepared. The prepared PANI/clay showed excellent adsorption capability for decontamination of Pb ions from contaminated water. Both of suggested synthesise and

Neutron scattering from adsorbed species

International Nuclear Information System (INIS)

Shuwang An

1998-01-01

Neutron reflection has been used to investigate the structure of layers of water-soluble diblock copolymers poly(2-(dimethylamino)ethyl methacrylate-block-methyl methacrylate (poly(DMAEMA-b-MMA)) (70 mol% DMAEMA, M n = 10k, 80 mol% DMAEMA, M n = 10k, and 70 mol% DMAEMA, M n = 20k) adsorbed at the air-liquid and solid-liquid interfaces. The surface tension behaviour of these copolymers at the air-liquid interface has also been investigated. The study of the structure of layers of poly(DMAEMA-b-MMA) adsorbed at the air-water interface forms the main part of the thesis. The surface structure, the effects of pH and ionic strength, and the effects of composition and molecular weight of the copolymers have been studied systematically. For the 70%-10k copolymer at pH 7.5, the adsorption isotherm shows that there is a surface phase transition. The concentration of copolymer at which the phase transition occurs is close to that at which micellar aggregation in the bulk solution also occurs. At low concentrations (below the CMC), the two blocks of the copolymer are approximately uniformly distributed in the direction normal to the interface and the layer is partially immersed in water. At high concentrations (above the CMC), the adsorbed layer has a cross-sectional structure resembling that expected for a micelle with the majority of the MMA blocks forming the core. The outer layers, comprising predominantly DMAEMA blocks, are not equivalent, being more highly extended on the aqueous side of the interface. The effects of pH and added electrolyte on the structure of layers of the 70%-10k copolymer show that the layered structure is promoted by any changes in the bulk solution that enhance the surface coverage but is inhibited by an increase in the fractional charge on the polyelectrolyte part of the copolymer. The effect of lowering the pH is to increase the positive charge on the weak polyelectrolyte block. Addition of electrolyte generally enhances the amount adsorbed and

Modeling and evaluation of chromium remediation from water using low cost bio-char, a green adsorbent

International Nuclear Information System (INIS)

Mohan, Dinesh; Rajput, Shalini; Singh, Vinod K.; Steele, Philip H.; Pittman, Charles U.

2011-01-01

Oak wood and oak bark chars were obtained from fast pyrolysis in an auger reactor at 400-450 deg. C. These chars were characterized and utilized for Cr(VI) remediation from water. Batch sorption studies were performed at different temperatures, pH values and solid to liquid ratios. Maximum chromium was removed at pH 2.0. A kinetic study yielded an optimum equilibrium time of 48 h with an adsorbent dose of 10 g/L. Sorption studies were conducted over a concentration range of 1-100 mg/L. Cr(VI) removal increased with an increase in temperature (Q Oakwood o : 25 deg. C = 3.03 mg/g; 35 deg. C = 4.08 mg/g; 45 deg. C = 4.93 mg/g and Q Oakbark o : 25 deg. C = 4.62 mg/g; 35 deg. C = 7.43 mg/g; 45 deg. C = 7.51 mg/g). More chromium was removed with oak bark than oak wood. The char performances were evaluated using the Freundlich, Langmuir, Redlich-Peterson, Toth, Radke and Sips adsorption isotherm models. The Sips adsorption isotherm model best fits the experimental data [high regression (R 2 ) coefficients]. The overall kinetic data was satisfactorily explained by a pseudo second order rate expression. Water penetrated into the char walls exposing Cr(VI) to additional adsorption sites that were not on the surfaces of dry char pores. It is remarkable that oak chars (S BET : 1-3 m 2 g -1 ) can remove similar amounts of Cr(VI) as activated carbon (S BET : ∼1000 m 2 g -1 ). Thus, byproduct chars from bio-oil production might be used as inexpensive adsorbents for water purification. Char samples were successfully used for chromium remediation from contaminated surface water with dissolved interfering ions.

Modeling and evaluation of chromium remediation from water using low cost bio-char, a green adsorbent.

Science.gov (United States)

Mohan, Dinesh; Rajput, Shalini; Singh, Vinod K; Steele, Philip H; Pittman, Charles U

2011-04-15

Oak wood and oak bark chars were obtained from fast pyrolysis in an auger reactor at 400-450 °C. These chars were characterized and utilized for Cr(VI) remediation from water. Batch sorption studies were performed at different temperatures, pH values and solid to liquid ratios. Maximum chromium was removed at pH 2.0. A kinetic study yielded an optimum equilibrium time of 48 h with an adsorbent dose of 10 g/L. Sorption studies were conducted over a concentration range of 1-100mg/L. Cr(VI) removal increased with an increase in temperature (Q(Oak wood)(°): 25 °C = 3.03 mg/g; 35 °C = 4.08 mg/g; 45 °C = 4.93 mg/g and Q(Oakbark)(°): 25 °C = 4.62 mg/g; 35 °C = 7.43 mg/g; 45 °C = 7.51 mg/g). More chromium was removed with oak bark than oak wood. The char performances were evaluated using the Freundlich, Langmuir, Redlich-Peterson, Toth, Radke and Sips adsorption isotherm models. The Sips adsorption isotherm model best fits the experimental data [high regression (R(2)) coefficients]. The overall kinetic data was satisfactorily explained by a pseudo second order rate expression. Water penetrated into the char walls exposing Cr(VI) to additional adsorption sites that were not on the surfaces of dry char pores. It is remarkable that oak chars (S(BET): 1-3m(2)g(-1)) can remove similar amounts of Cr(VI) as activated carbon (S(BET): ∼ 1000 m(2)g(-1)). Thus, byproduct chars from bio-oil production might be used as inexpensive adsorbents for water purification. Char samples were successfully used for chromium remediation from contaminated surface water with dissolved interfering ions. Copyright © 2011 Elsevier B.V. All rights reserved.

Hexagonal boron nitride nanosheets as adsorbents for solid-phase extraction of polychlorinated biphenyls from water samples

Energy Technology Data Exchange (ETDEWEB)

Jia, Shiliang; Wang, Zhenhua; Ding, Ning [Key Laboratory for Applied Technology of Sophisticated Analytical Instruments, Shandong Academy of Sciences, Jinan, Shandong (China); Elaine Wong, Y.-L. [Department of Chemistry, The Chinese University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong); Chen, Xiangfeng, E-mail: xiangfchensdas@163.com [Key Laboratory for Applied Technology of Sophisticated Analytical Instruments, Shandong Academy of Sciences, Jinan, Shandong (China); Department of Chemistry, The Chinese University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong); Qiu, Guangyu [Department of Physics and Materials Science, City University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong); Dominic Chan, T.-W., E-mail: twdchan@cuhk.edu.hk [Department of Chemistry, The Chinese University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong)

2016-09-14

The adsorptive potential of hexagonal boron nitride nanosheets (h-BNNSs) for solid-phase extraction (SPE) of pollutants was investigated for the first time. Seven indicators of polychlorinated biphenyls (PCBs) were selected as target analytes. The adsorption of PCBs on the surface of the h-BNNSs in water was simulated by the density functional theory and molecular dynamics. The simulation results indicated that the PCBs are adsorbed on the surface by π–π, hydrophobic, and electrostatic interactions. The PCBs were extracted with an h-BNNS-packed SPE cartridge, and eluted by dichloromethane. Gas chromatography–tandem mass spectrometry working in the multiple reaction monitor mode was used for the sample quantification. The effect of extraction parameters, including the flow rate, pH value, breakthrough volume, and the ionic strength, were investigated. Under the optimal working conditions, the developed method showed low limits of detection (0.24–0.50 ng L{sup −1}; signal-to-noise ratio = 3:1), low limits of quantification (0.79–1.56 ng L{sup −1}; signal-to-noise ratio = 10:1), satisfactory linearity (r > 0.99) within the concentration range of 2–1000 ng L{sup −1}, and good precision (relative standard deviation < 12%). The PCBs concentration in environmental water samples was determined by the developed method. This results demonstrate that h-BNNSs have high analytical potential in the enrichment of pollutants. - Highlights: • The hexagonal boron nitride nanosheets were synthesized. • The nanosheets were used as adsorbent for solid-phase extraction. • The h-BN demonstrates remarkable adsorption of PCBs from water samples. • The method was successfully applied in determination of PCBs in water samples.

Modification of zeolite 4A for use as an adsorbent for glyphosate and as an antibacterial agent for water.

Science.gov (United States)

Zavareh, Siamak; Farrokhzad, Zahra; Darvishi, Farshad

2018-07-15

The aim of this work was to design a low cost adsorbent for efficient and selective removal of glyphosate from water at neutral pH conditions. For this purpose, zeolite 4A, a locally abundant and cheap mineral material, was ion-exchanged with Cu 2+ to produce Cu-zeolite 4A. The FTIR results revealed that the modification has no important effect on chemical structure of zeolite 4A. After modification, highly crystalline zeolite 4A was converted to amorphous Cu-zeolite 4A according to XRD studies. The SEM images showed spherical-like particles with porous surfaces for Cu-zeolite 4A compared to cubic particles with smooth surfaces for zeolite 4A. Adsorption equilibrium data were well fitted with non-linear forms of Langmuir, Freundlich and Temkin isotherms. The maximum adsorption capacity for Cu-zeolite 4A was calculated to be 112.7 mg g -1 based on the Langmuir model. The adsorption of glyphosate by the modified adsorbent had fast kinetics fitted both pseudo-first-order and pseudo-second-order models. A mechanism based on chemical adsorption was proposed for the removal process. The modified adsorbent had a good selectivity to glyphosate over natural waters common cations and anions. It also showed desired regeneration ability as an important feature for practical uses. The potential use of the developed material as antibacterial agent for water disinfection filters was also investigated by MIC method. Relatively strong antibacterial activity was observed for Cu-zeolite 4A against Gram-positive and Gram-negative model bacteria while zeolite 4A had no antibacterial properties. No release of Cu 2+ to aqueous solutions was detected as unique feature of the developed material. Copyright © 2018 Elsevier Inc. All rights reserved.

The influence of white and blue silica gels as adsorbents in adsorptive-distillation of ethanol-water mixture

Science.gov (United States)

Megawati, Jannah, Reni Ainun; Rahayuningtiyas, Indi

2017-01-01

This research studied the difference of white and blue silica gels when used as an adsorbent for ethanol purification that is processed via Adsorptive-Distillation (AD) at 1 atm pressure. The effect of process duration to purification process is also recorded and studied to evaluate the performance of designed AD equipment. The experiment was conducted using boiling flask covered with a heating mantle and the temperature was maintained at 78°C. The vapour flowed into the adsorbent column and was condensed using water as a cooling medium. The initial ethanol concentration was 90.8% v/v and volume was 300 mL. Experiment shows that designed AD equipment could be used to purify ethanol. The average vapour velocity was about 39.29 and 45.91 m/s for white and blue silica gels, respectively, which is considered very high. Therefore the saturated adsorption could not be obtained. Highest ethanol concentration achieved using white silica gel is about 96.671% v/v after 50 minutes. Thus AD with white silica gel showed good performance and passed azeotropic point. But AD with blue silica gel showed a different result, the adsorption of blue silica gel failed to break the azeotropic point. The outlet average water concentration for white and blue silica gels is 3.54 and 3.42 mole/L. Based on the weight ratio of adsorbed water per adsorbent, at 55th minutes of time; this ratio of blue silica gel is about 0.053 gwater/gads. The time required by the blue silica to achieve 0.5 wwater-adsorbed/wwater-initial is 45 minutes, and the average outlet water concentration is 3.42 mole/L. Meanwhile, the time required by a white silica to complete 0.5 wwater-adsorbed/wwater-initial is 35 minutes, and the average outlet water level is 3.54 mole/L. Based on the results, the blue silica as an adsorbent for AD of ethanol-water mixture is better than white silica gel.

Water adsorption induced in-plane domain switching on BaTiO{sub 3} surface

Energy Technology Data Exchange (ETDEWEB)

Li, X.; Bai, Y.; Su, Y. J., E-mail: yjsu@ustb.edu.cn [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Wang, B. C. [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Multiscale Materials Modelling group, Department of Materials and Engineering, Royal Institute of Technology, SE-10044 Stockholm (Sweden)

2015-09-07

In this study, the influences of the adsorption of water molecules on the changes in the atomic and electric structures of BaTiO{sub 3} surface were investigated using ab initio calculation. Water molecules are molecularly and dissociatively adsorbed on the BaTiO{sub 3} surface, which makes electrons transfer from water molecules to the BaTiO{sub 3} surface. The redistribution of electrons in the BaTiO{sub 3} surface layers weakens the Ba-O interactions and strengthens the Ti-O interactions, so that the Ti atom shifts in TiO{sub 2} plane, i.e., an in-plane domain switching. The adsorption of water molecules on BaTiO{sub 3} surfaces also results in a reduction in the surface rumpling.

Effective embedded-atom potential for metallic adsorbates on crystalline surfaces

International Nuclear Information System (INIS)

Förster, G D; Magnin, Y; Rabilloud, F; Calvo, F

2014-01-01

Based on the embedded-atom method (EAM), an analytical effective potential is developed to model the interaction of a metallic adsorbate on a perfect crystalline substrate, which is also metallic. The many-body character of the original EAM potential is preserved in the adsorbate energy and in the alteration of the substrate energy due to the presence of the adsorbate. A mean-field-type version neglecting corrugation of the substrate is first derived based on rigorous integration of individual monolayers, followed by an approximate form for the perturbation of the substrate energy. Lateral corrugation is subsequently included by additional phenomenological terms respecting the symmetry of the substrate, again preserving the many-body nature of the original potential. The effective model contains four parameters to describe uncorrugated substrates and eight extra parameters to describe every order of the Fourier lateral expansion. These parameters were fitted to reproduce the adsorption energy of a sample of random configurations of realistic 2D and 3D clusters deposited on the (1 1 1) fcc surface, for metals for which popular EAM models have been parametrized. As a simple application, the local relaxation of pre-formed icosahedral or truncated octahedral clusters soft-landed and exposing (1 1 1) faces in epitaxy to the substrate has been simulated at 0 and 300 K. The deformation of small clusters to wet the substrate is correctly captured by the effective model. This agreement with the exact potential suggests that the present model should be useful for treating metallic environments in large-scale surface studies, notably in structural optimization or as a template for more general models parametrized from ab initio data. (paper)

Effect of Water Vapor and Surface Morphology on the Low Temperature Response of Metal Oxide Semiconductor Gas Sensors

Directory of Open Access Journals (Sweden)

Konrad Maier

2015-09-01

Full Text Available In this work the low temperature response of metal oxide semiconductor gas sensors is analyzed. Important characteristics of this low-temperature response are a pronounced selectivity to acid- and base-forming gases and a large disparity of response and recovery time constants which often leads to an integrator-type of gas response. We show that this kind of sensor performance is related to the trend of semiconductor gas sensors to adsorb water vapor in multi-layer form and that this ability is sensitively influenced by the surface morphology. In particular we show that surface roughness in the nanometer range enhances desorption of water from multi-layer adsorbates, enabling them to respond more swiftly to changes in the ambient humidity. Further experiments reveal that reactive gases, such as NO2 and NH3, which are easily absorbed in the water adsorbate layers, are more easily exchanged across the liquid/air interface when the humidity in the ambient air is high.

Iron oxide inside SBA-15 modified with amino groups as reusable adsorbent for highly efficient removal of glyphosate from water

Science.gov (United States)

Fiorilli, Sonia; Rivoira, Luca; Calì, Giada; Appendini, Marta; Bruzzoniti, Maria Concetta; Coïsson, Marco; Onida, Barbara

2017-07-01

Iron oxide clusters were incorporated into amino-functionalized SBA-15 in order to obtain a magnetically recoverable adsorbent. The physical-chemical properties of the material were characterized by FE-SEM, STEM, XRD, TGA, XPS, FT-IR and acid-base titration analysis. Iron oxide nanoparticles were uniformly dispersed into the pore of mesoporous silica and that the adsorbent is characterized high specific surface area (177 m2/g) and accessible porosity. The sorbent was successfully tested for the removal of glyphosate in real water matrices. Despite the significant content of inorganic ions, a quantitative removal of the contaminant was found. The complete regeneration of the sorbent after the adsorption process through diluted NaOH solution was also proved.

Radionuclide transfer onto ground surface in surface water flow, 1

International Nuclear Information System (INIS)

Mukai, Masayuki; Takebe, Shinichi; Komiya, Tomokazu; Kamiyama, Hideo

1991-07-01

Radionuclides migration in ground surface water flow is considered to be one of the important path way in the scenario for environmental migration of radionuclides leaked from low level radioactive waste repository. Simulating the slightly sloped surface on which contaminated solution is flowing downward, testing for radionuclide migration on ground surface had been started. As it's first step, an experiment was carried out under the condition of restricted infiltration in order to elucidate the adsorption behavior of radionuclides onto the loamy soil surface in related with hydraulic conditions. Radionuclides concentration change in effluent solution with time and a concentration distribution of radionuclides adsorbed on the ground surface were obtained from several experimental conditions combining the rate and the duration time of the water flow. The radionuclides concentration in the effluent solution was nearly constant during each experimental period, and was reduced under the condition of lower flow rate. The surface distribution of radionuclides concentration showed two distinctive regions. The one was near the inlet vessel where the concentration was promptly reducing, and the other was following the former where the concentration was nearly constant. The characteristic surface distribution of radionuclides concentration can be explained by a two dimensional diffusion model with a first order adsorption reaction, based on the advection of flow rate distribution in perpendicular direction. (author)

Adsorption of 1-naphthyl methyl carbamate in water by utilizing a surface molecularly imprinted polymer

Science.gov (United States)

So, Juhyok; Pang, Cholho; Dong, Hongxing; Jang, Paeksan; U, Juhyok; Ri, Kumchol; Yun, Cholyong

2018-05-01

Surface molecularly imprinting polymer (SMIP) was utilized in the removal of a residual pesticide (carbaryl (CBL)) in water and simulated fruit juice. Being the crosslinking agent, ethylene glycol dimethacrylate (EGDMA) was copolymerized with the monomer, methacrylic acid (MAA) and CBL as the template molecules on the surface of the silica gel particles to produce the SMIP adsorbents. The SMIP adsorbents showed good selectivity and good adsorption capacity for CBL in the competitive adsorptions with two structurally related carbamate pesticides. The effect of the pretreatment solvents on the adsorption capacity of the SMIP adsorbent was investigated with the results of the numerical simulations. The adsorption isotherms and the adsorption kinetics were well described by the Freundlich equilibrium model and the pseudo-second-order kinetic model, respectively. Scatchard plot analysis revealed that there were two classes of binding sites populated in the SMIP adsorbents. In addition, the good selective adsorption of CBL by the SMIP adsorbent in a simulated fruit juice containing vitamin C and fructose indicated the great potential of the SMIP adsorbents to remove residual pesticide in food industry and processing industry for agricultural products.

Surface Chemistry Dependence of Mechanochemical Reaction of Adsorbed Molecules-An Experimental Study on Tribopolymerization of α-Pinene on Metal, Metal Oxide, and Carbon Surfaces.

Science.gov (United States)

He, Xin; Kim, Seong H

2018-02-20

Mechanochemical reactions between adsorbate molecules sheared at tribological interfaces can induce association of adsorbed molecules, forming oligomeric and polymeric products often called tribopolymers). This study revealed the role or effect of surface chemistry of the solid substrate in mechanochemical polymerization reactions. As a model reactant, α-pinene was chosen because it was known to readily form tribopolymers at the sliding interface of stainless steel under vapor-phase lubrication conditions. Eight different substrate materials were tested-palladium, nickel, copper, stainless steel, gold, silicon oxide, aluminum oxide, and diamond-like carbon (DLC). All metal substrates and DLC were initially covered with surface oxide species formed naturally in air or during the oxidative sample cleaning. It was found that the tribopolymerization yield of α-pinene is much higher on the substrates that can chemisorb α-pinene, compared to the ones on which only physisorption occurs. From the load dependence of the tribopolymerization yield, it was found that the surfaces capable of chemisorption give a smaller critical activation volume for the mechanochemical reaction, compared to the ones capable of physisorption only. On the basis of these observations and infrared spectroscopy analyses of the adsorbed molecules and the produced polymers, it was concluded that the mechanochemical reaction mechanisms might be different between chemically reactive and inert surfaces and that the chemical reactivity of the substrate surface greatly influences the tribochemical polymerization reactions of adsorbed molecules.

[Characteristics and comparative study of a new drinking-water defluoridation adsorbent Bio-F].

Science.gov (United States)

Zhu, Chi; Zhao, Liang-Yuan; Yuan, Heng; Yang, Han-Ying; Li, Ang; Wang, Peng; Yang, Shao

2009-04-15

To evaluate the application potentiality pf a new type drinking-water defluoridation adsorbent Bio-F, comparative study on the defluoridation characteristics of common adsorbents activated alumina (AA), bone char (BC), activated clinoptilolite (AC) with Bio-F was conducted. The defluoridation characteristics under different conditions, such as particle diameter, pH, retention time, fluorine concentration, regeneration stability, were investigated by continuous-flow column experiments and static tests. The defluoridation efficiency of high fluoride underground water by four types of adsorbents was also compared. The results showed that F(-) adsorption kinetics of Bio-F fitted the Lagergren First-order equation (R2 = 0.9580). F(-) adsorption by Bio-F was found to fit the Langmuir adsorption isotherm (R2 = 0.9992). The results indicated that the static defluoridation capacity (DC) of Bio-F was 4.0883 mg x g(-1), which was about 1.8 folds and 5.8 folds of those of AA and AC respectively. DC of all four adsorbents was positively correlated with F(-) concentration and negatively correlated with particle size. High concentration of CO3(2-) and HCO3(-) reduced the DC of Bio-F (p retention time of Bio-F was 3-4 min, which was less than that of AC (20 min) and AA (11 min). The DC of Bio-F remained relatively stable in pH 4.0-9.0 and in regeneration since the DC variation was not more than 15%. The above results indicated that Bio-F was superior to AA, BC and AC in drinking-water defluoridation.

Optimal Electromagnetic (EM) Geophysical Techniques to Map the Concentration of Subsurface Ice and Adsorbed Water on Mars and the Moon

Science.gov (United States)

Stillman, D. E.; Grimm, R. E.

2013-12-01

Water ice is ubiquitous in our Solar System and is a probable target for planetary exploration. Mapping the lateral and vertical concentration of subsurface ice from or near the surface could determine the origin of lunar and martian ice and quantify a much-needed resource for human exploration. Determining subsurface ice concentration on Earth is not trivial and has been attempted previously with electrical resistivity tomography (ERT), ground penetrating radar (GPR), airborne EM (AEM), and nuclear magnetic resonance (NMR). These EM geophysical techniques do not actually detect ice, but rather the absence of unfrozen water. This causes a non-unique interpretation of frozen and dry subsurface sediments. This works well in the arctic because most locations are not dry. However, for planetary exploration, liquid water is exceedingly rare and subsurface mapping must discriminate between an ice-rich and a dry subsurface. Luckily, nature has provided a unique electrical signature of ice: its dielectric relaxation. The dielectric relaxation of ice creates a temperature and frequency dependence of the electrical properties and varies the relative dielectric permittivity from ~3.1 at radar frequencies to >100 at low frequencies. On Mars, sediments smaller than silt size can hold enough adsorbed unfrozen water to complicate the measurement. This is because the presence of absorbed water also creates frequency-dependent electrical properties. The dielectric relaxation of adsorbed water and ice can be separated as they have different shapes and frequency ranges as long as a spectrum spanning the two relaxations is measured. The volume concentration of ice and adsorbed water is a function of the strength of their relaxations. Therefore, we suggest that capacitively-coupled dielectric spectroscopy (a.k.a. spectral induced polarization or complex resistivity) can detect the concentration of both ice and adsorbed water in the subsurface. To prove this concept we have collected

Functionalized paper--A readily accessible adsorbent for removal of dissolved heavy metal salts and nanoparticles from water.

Science.gov (United States)

Setyono, Daisy; Valiyaveettil, Suresh

2016-01-25

Paper, a readily available renewable resource, comprises of interwoven cellulosic fibers, which can be functionalized to develop interesting low-cost adsorbent material for water purification. In this study, polyethyleneimine (PEI)-functionalized paper was used for the removal of hazardous pollutants such as Au and Ag nanoparticles, Cr(VI) anions, Ni(2+), Cd(2+), and Cu(2+) cations from spiked water samples. Compared to untreated paper, the PEI-coated paper showed significant improvement in adsorption capacities toward the pollutants investigated in this study. Kinetics, isotherm models, pH, and desorption studies were carried out to study the adsorption mechanism of pollutants on the adsorbent surface. Adsorption of pollutants was better described by pseudo-second order kinetics and Langmuir isotherm model. Maximum adsorption of anionic pollutants was achieved at pH 5 while that of cations was at pH>6. Overall, the PEI-functionalized paper showed interesting Langmuir adsorption capacities for heavy metal ions such as Cr(VI) (68 mg/g), Ni(2+) (208 mg/g), Cd(2+) (370 mg/g), and Cu(2+) (435 mg/g) ions at neutral pH. In addition, the modified paper was also used to remove Ag-citrate (79 mg/g), Ag-PVP (46 mg/g), Au-citrate (30 mg/g), Au-PVP (17 mg/g) nanoparticles from water. Desorption of NPs from the adsorbent was done by washing with 2 M HCl or thiourea solution, while heavy metal ions were desorbed using 1 M NaOH or HNO3 solution. The modified paper retained its extraction efficiencies upon desorption of pollutants. Copyright © 2015 Elsevier B.V. All rights reserved.

Removal of organic matter from dairy industry waste water using low-cost adsorbents

Energy Technology Data Exchange (ETDEWEB)

Rao, M.; Bhole, A.G. [College of Engineering, Badnera (India). Civil Engineering Department

2002-07-01

The present study envisages the use of cost-effective adsorbents such as fly ash, bagasse, wheat straw dust, sawdust, and coconut coir for the reduction of the TDS (total dissolved solids) from dairy industry effluent waste water. PAC (powdered activated carbon) was also used and the results were compared. Sorption data have been correlated with both the Langmuir and the Freundlich adsorption isotherm models. The Freundlich static isotherm model is found applicable to all the six adsorbents for removing TDS from the dairy waste water. The order of selectivity is PAC, bagasse, fly ash, sawdust, wheat straw, coconut coir for the removal of TDS at optimum conditions. 8 refs., 6 figs., 3 tabs.

Extraction of uranium from sea water with the granular composite adsorbent by using the fixed bed

International Nuclear Information System (INIS)

Katoh, Shunsaku; Sakane, Kohji; Hirotsu, Takahiro; Fujii, Ayako; Kitamura, Takao

1981-01-01

To clarify the technical problems existing in the extraction process of uranium from sea water, uranium was extracted from natural sea water, with the granulated C-Ti-OH composite adsorbent. The adsorption of uranium from sea water was carried out by using the fixed bed that had been designed in our laboratory. The uranium recovery from the sea water was 13.9% in the adsorption process of 56 d. The adsorbed uranium was eluted from the adsorbent with 0.5 N NaHCO 3 -0.5N Na 2 CO 3 soln. at 70 0 C. The elution recovery was 97.4% for 35 h. The uranium contained in the eluate was concentrated twenty times as much as in the anion exchange process, and then 100 times in the solvent extraction process with oxine-chloroform and TOA-kerosene. About 0.7 g of yellow cake was prepared from natural sea water, and it was identified to be pure 2UO 2 .NH 3 .3H 2 O by X-ray diffraction method and X-ray fluorometry. (author)

Adsorbed radioactivity and radiographic imaging of surfaces of stainless steel and titanium

Science.gov (United States)

Jung, Haijo

1997-11-01

Type 304 stainless steel used for typical surface materials of spent fuel shipping casks and titanium were exposed in the spent fuel storage pool of a typical PWR power plant. Adsorption characteristics, effectiveness of decontamination by water cleaning and by electrocleaning, and swipe effectiveness on the metal surfaces were studied. A variety of environmental conditions had been manipulated to stimulate the potential 'weeping' phenomenon that often occurs with spent fuel shipping casks during transit. In a previous study, few heterogeneous effects of adsorbed contamination onto metal surfaces were observed. Radiographic images of cask surfaces were made in this study and showed clearly heterogeneous activity distributions. Acquired radiographic images were digitized and further analyzed with an image analysis computer package and compared to calibrated images by using standard sources. The measurements of activity distribution by using the radiographic image method were consistent with that using a HPGe detector. This radiographic image method was used to study the effects of electrocleaning for total and specified areas. The Modulation Transfer Function (MTF) of a film-screen system in contact with a radioactive metal surface was studied with neutron activated gold foils and showed more broad resolution properties than general diagnostic x-ray film-screen systems. Microstructure between normal areas and hot spots showed significant differences, and one hot spot appearing as a dot on the film image consisted of several small hot spots (about 10 μm in diameter). These hot spots were observed as structural defects of the metal surfaces.

The adsorber loop concept for the contact between seawater and adsorber granulate

International Nuclear Information System (INIS)

Koske, P.H.; Ohlrogge, K.

1984-01-01

For the production of 1 kg uranium from seawater about 10 9 kg seawater - depending on the extraction efficiency - have to be processed in a production plant. Such high seawater flows have to be put through adsorber beds the area of which depends on the flow velocity of the water in the bed. For a typical polyamidoxim (PAO) adsorber granulate with a grain size distribution of 0.3 to 1.2 mm the velocity in a fluidized bed is limited to about 1 cm/s in order to prevent carry out of the adsorber material. The consequences of this rather low bed velocity are large and expensive bed areas for technical production plants. The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the water before this is leaving the adsorption unit. This concept enables considerably higher seawater velocities thus reducing the bed area. Theoretical considerations are presented together with experimental results from field tests. (author)

Electrochemical characterization of irreversibly adsorbed germanium on platinum stepped surfaces vicinal to Pt(1 0 0)

International Nuclear Information System (INIS)

Rodriguez, P.; Herrero, E.; Solla-Gullon, J.; Vidal-Iglesias, F.J.; Aldaz, A.; Feliu, J.M.

2005-01-01

The electrochemical behavior of germanium irreversibly adsorbed at stepped surfaces vicinal to the Pt(1 0 0) pole is reported. The process taking part on the (1 0 0) terraces is evaluated from charge density measurements and calibration lines versus the terrace dimension are plotted. On the series Pt(2n - 1,1,1) having (1 1 1) monoatomic steps, the charge involved in the redox process undergone by the irreversibly adsorbed germanium is able to account for (n - 0.5) terrace atoms, thus suggesting some steric difficulties in the growth of the adlayer on the (1 0 0) terraces. Conversely, no steric problems are apparent in the series Pt(n,1,0) in which more open (1 0 0) steps are present on the (1 0 0) terraces. In this latter case the charge density under the germanium redox peaks is proportional to the number of terrace atoms. Some comparison is made with other stepped surfaces to understand the behavior and stability of germanium irreversibly adsorbed on the different platinum surface sites

Potential energy surfaces of adsorbates on periodic substrates: Application of the Morse theory

Czech Academy of Sciences Publication Activity Database

Pick, Štěpán

2009-01-01

Roč. 79, č. 4 (2009), 045403-1-5 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z40400503 Keywords : adsorbed layers * Morse potential * potential energy surfaces * substrates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.475, year: 2009

Nanostructured Fe2O3/Al2O3 Adsorbent for removal of As (V from water

Directory of Open Access Journals (Sweden)

Faranak Akhlaghian

2017-04-01

Full Text Available The presence of arsenate in drinking water causes adverse health effects including skin lesions, diabetes, cancer, damage to the nervous system, and cardiovascular diseases. Therefore, the removal of As (V from water is necessary. In this work, nanostructured adsorbent Fe2O3/Al2O3 was synthesized via the sol-gel method and applied to remove arsenate from polluted waters. First, the Fe2O3 load of the adsorbent was optimized. The Fe2O3/Al2O3 adsorbent was characterized by means of XRF, XRD, ASAP, and SEM techniques. The effects of the operating conditions of the batch process of As (V adsorption such as pH, adsorbent dose, contact time, and initial concentration of As (V solution were studied, and optimized. The thermodynamic study of the process showed that arsenate adsorption was endothermic. The kinetic model corresponded to the pseudo-second-order model. The Langmuir adsorption isotherm was better fitted to the experimental data. The Fe2O3/Al2O3 adsorbent was immobilized on leca granules and applied for As (V adsorption. The results showed that the immobilization of Fe2O3/Al2O3 on leca particles improved the As (V removal efficiency.

Determination of adsorbable organic halogens in surface water samples by combustion-microcoulometry versus combustion-ion chromatography titration.

Science.gov (United States)

Kinani, Aziz; Sa Lhi, Hacène; Bouchonnet, Stéphane; Kinani, Said

2018-03-02

Adsorbable Organic Halogen (AOX) is an analytical parameter of considerable interest since it allows to evaluate the amount of organohalogen disinfection by-products (OXBPs) present in a water sample. Halogen speciation of AOX into adsorbable organic chlorine, bromine and iodine, respectively AOCl, AOBr and AOI, is extremely important since it has been shown that iodinated and brominated organic by-products tend to be more toxic than their chlorinated analogues. Chemical speciation of AOX can be performed by combustion-ion chromatography (C-IC). In the present work, the effectiveness of the nitrate wash according to ISO 9562 standard method protocol to eliminate halide ions interferences was firstly examined. False positive AOX values were observed when chloride concentration exceeded 100 ppm. The improvements made to the washing protocol have eliminated chloride interference for concentrations up to 1000 ppm. A C-IC method for chemical speciation of AOX into AOCl, AOBr, and AOI has been developed and validated. The most important analytical parameters were investigated. The following optimal conditions were established: an aqueous solution containing 2.4 mM sodium bicarbonate/2.0 mM sodium carbonate, and 2% acetone (v/v) as mobile phase, 2 mL of aqueous sodium thiosulfate (500 ppm) as absorption solution, 0.2 mL min -1 as water inlet flow rate for hydropyrolysis, and 10 min as post-combustion time. The method was validated according to NF T90-210 standard method. Calibration curves fitted through a quadratic equation show coefficients of determination (r 2 ) greater than 0.9998, and RSD less than 5%. The LOQs were 0.9, 4.3, and 5.7 μg L -1 Cl for AOCl, AOBr, and AOI, respectively. The accuracy, in terms of relative error, was within a ± 10% interval. The applicability of the validated method was demonstrated by the analysis of twenty four water samples from three rivers in France. The measurements reveals AOX amounts above 10�

The role of adsorbed water on the friction of a layer of submicron particles

Science.gov (United States)

Sammis, Charles G.; Lockner, David A.; Reches, Ze’ev

2011-01-01

Anomalously low values of friction observed in layers of submicron particles deformed in simple shear at high slip velocities are explained as the consequence of a one nanometer thick layer of water adsorbed on the particles. The observed transition from normal friction with an apparent coefficient near μ = 0.6 at low slip speeds to a coefficient near μ = 0.3 at higher slip speeds is attributed to competition between the time required to extrude the water layer from between neighboring particles in a force chain and the average lifetime of the chain. At low slip speeds the time required for extrusion is less than the average lifetime of a chain so the particles make contact and lock. As slip speed increases, the average lifetime of a chain decreases until it is less than the extrusion time and the particles in a force chain never come into direct contact. If the adsorbed water layer enables the otherwise rough particles to rotate, the coefficient of friction will drop to μ = 0.3, appropriate for rotating spheres. At the highest slip speeds particle temperatures rise above 100°C, the water layer vaporizes, the particles contact and lock, and the coefficient of friction rises to μ = 0.6. The observed onset of weakening at slip speeds near 0.001 m/s is consistent with the measured viscosity of a 1 nm thick layer of adsorbed water, with a minimum particle radius of approximately 20 nm, and with reasonable assumptions about the distribution of force chains guided by experimental observation. The reduction of friction and the range of velocities over which it occurs decrease with increasing normal stress, as predicted by the model. Moreover, the analysis predicts that this high-speed weakening mechanism should operate only for particles with radii smaller than approximately 1 μm. For larger particles the slip speed required for weakening is so large that frictional heating will evaporate the adsorbed water and weakening will not occur.

Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations.

Science.gov (United States)

Croteau, T; Bertram, A K; Patey, G N

2008-10-30

Grand canonical Monte Carlo calculations are used to determine water adsorption and structure on defect-free kaolinite surfaces as a function of relative humidity at 235 K. This information is then used to gain insight into ice nucleation on kaolinite surfaces. Results for both the SPC/E and TIP5P-E water models are compared and demonstrate that the Al-surface [(001) plane] and both protonated and unprotonated edges [(100) plane] strongly adsorb at atmospherically relevant relative humidities. Adsorption on the Al-surface exhibits properties of a first-order process with evidence of collective behavior, whereas adsorption on the edges is essentially continuous and appears dominated by strong water lattice interactions. For the protonated and unprotonated edges no structure that matches hexagonal ice is observed. For the Al-surface some of the water molecules formed hexagonal rings. However, the a o lattice parameter for these rings is significantly different from the corresponding constant for hexagonal ice ( Ih). A misfit strain of 14.0% is calculated between the hexagonal pattern of water adsorbed on the Al-surface and the basal plane of ice Ih. Hence, the ring structures that form on the Al-surface are not expected to be good building-blocks for ice nucleation due to the large misfit strain.

Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity

International Nuclear Information System (INIS)

Seenivasan, H.; Tiwari, Ashwani K.

2013-01-01

Water adsorption and dissociation on Ni(100) and Ni(111) surfaces are studied using density functional theory calculations. Water adsorbs on top site on both the surfaces, while H and OH adsorb on four fold hollow and three fold hollow (fcc) sites on Ni(100) and Ni(111), respectively. Transition states (TS) on both surfaces are identified using climbing image-nudged elastic band method. It is found that the barrier to dissociation on Ni(100) surface is slightly lower than that on Ni(111) surface. Dissociation on both the surfaces is exothermic, while the exothermicity on Ni(100) is large. To study the effect of lattice motion on the energy barrier, TS calculations are performed for various values of Q (lattice atom coordinate along the surface normal) and the change in the barrier height and position is determined. Calculations show that the energy barrier to reaction decreases with increasing Q and increases with decreasing Q on both the surfaces. Dissociation probability values at different surface temperatures are computed using semi-classical approximation. Results show that the influence of surface temperature on dissociation probability on the Ni(100) is significantly larger compared to that of Ni(111). Moreover, on Ni(100), a dramatic shift in energy barrier to lower incident energy values is observed with increasing surface temperature, while the shift is smaller in the case of Ni(111)

Removal of arsenic from drinking water by natural adsorbents

OpenAIRE

MD SHAHNOOR ALAM KHAN

2017-01-01

The presence of arsenic in groundwater has been reported in many countries across the world and it is a serious threat to public health. The aim of this study was to identify prospective natural materials with high arsenic adsorption capacity and durable hydraulic property to produce adequate flow of water. The comparative study identified Skye sand as the best natural adsorbent. The prototype household filter with Skye sand achieved complete removal of arsenic and iron. Arsenic removal by du...

Potential Energy Surface of NO on Pt(997: Adsorbed States and Surface Diffusion

Directory of Open Access Journals (Sweden)

N. Tsukahara

2012-01-01

Full Text Available The potential energy surface (PES of NO on Pt(997 has been elucidated: the adsorption states and diffusion processes of NO on Pt(997 at low coverage were investigated by using infrared reflection absorption spectroscopy (IRAS and scanning tunneling microscopy (STM. When NO molecules adsorb on a surface at a low temperature (11 K, each molecule transiently migrates on the surface from the first impact point to a possible adsorption site. We found that there are four stable adsorption sites for NO on Pt(997: a bridge site of the upper step, an fcc- (or hcp- hollow site of the terrace, an on-top site of the terrace, and an fcc-hollow site of the lower step. At higher temperatures above 45 K, NO molecules start to migrate thermally to more stable adsorption sites on a terrace, and they are finally trapped at the bridge sites of the step, which are the most stable among the four sites.

Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

Energy Technology Data Exchange (ETDEWEB)

Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

1992-08-01

A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

Photoemission studies of clean and adsorbate covered metal surfaces using synchrotron and uv radiation sources

International Nuclear Information System (INIS)

Apai, G.R. II.

1977-09-01

Photoemission energy distribution experiments on clean metal and adsorbate-covered surfaces were performed under ultrahigh vacuum conditions by using x-ray and ultraviolet photon sources in the laboratory as well as continuously-tunable, highly polarized synchrotron radiation obtainable at the Stanford Synchrotron Radiation Laboratory (SSRL). Studies focused on two general areas: cross-section modulation in the photoemission process was studied as a function of photon energy and orbital composition. Sharp decreases in intensity of the valence bands of several transition metals (i.e., Ag, Au, and Pt) are attributed to the radial nodes in the respective wave functions. Adsorbate photoemission studies of CO adsorbed on platinum single crystals have demonstrated a very high spectral sensitivity to the 4sigma and (1π + 5sigma) peaks of CO at photon energies of 150 eV. Angle-resolved photoemission allowed determination of the orientation of CO chemisorbed on a Pt (111) or Ni(111) surface. Prelinimary results at high photon energies (approximately 150 eV) indicated scattering from the substrate which could yield chemisorption site geometries

Controllable Catalysis with Nanoparticles: Bimetallic Alloy Systems and Surface Adsorbates

KAUST Repository

Chen, Tianyou

2016-05-16

Transition metal nanoparticles are privileged materials in catalysis due to their high specific surface areas and abundance of active catalytic sites. While many of these catalysts are quite useful, we are only beginning to understand the underlying catalytic mechanisms. Opening the “black box” of nanoparticle catalysis is essential to achieve the ultimate goal of catalysis by design. In this Perspective we highlight recent work addressing the topic of controlled catalysis with bimetallic alloy and “designer” adsorbate-stabilized metal nanoparticles.

Controllable Catalysis with Nanoparticles: Bimetallic Alloy Systems and Surface Adsorbates

KAUST Repository

Chen, Tianyou; Rodionov, Valentin

2016-01-01

Transition metal nanoparticles are privileged materials in catalysis due to their high specific surface areas and abundance of active catalytic sites. While many of these catalysts are quite useful, we are only beginning to understand the underlying catalytic mechanisms. Opening the “black box” of nanoparticle catalysis is essential to achieve the ultimate goal of catalysis by design. In this Perspective we highlight recent work addressing the topic of controlled catalysis with bimetallic alloy and “designer” adsorbate-stabilized metal nanoparticles.

Characterisation of phase transition in adsorbed monolayers at the air/water interface.

Science.gov (United States)

Vollhardt, D; Fainerman, V B

2010-02-26

Recent work has provided experimental and theoretical evidence that a first order fluid/condensed (LE/LC) phase transition can occur in adsorbed monolayers of amphiphiles and surfactants which are dissolved in aqueous solution. Similar to Langmuir monolayers, also in the case of adsorbed monolayers, the existence of a G/LE phase transition, as assumed by several authors, is a matter of question. Representative studies, at first performed with a tailored amphiphile and later with numerous other amphiphiles, also with n-dodecanol, provide insight into the main characteristics of the adsorbed monolayer during the adsorption kinetics. The general conditions necessary for the formation of a two-phase coexistence in adsorbed monolayers can be optimally studied using dynamic surface pressure measurements, Brewster angle microscopy (BAM) and synchrotron X-ray diffraction at grazing incidence (GIXD). A characteristic break point in the time dependence of the adsorption kinetics curves indicates the phase transition which is largely affected by the concentration of the amphiphile in the aqueous solution and on the temperature. Formation and growth of condensed phase domains after the phase transition point are visualised by BAM. As demonstrated by a tailored amphiphile, various types of morphological textures of the condensed phase can occur in different temperature regions. Lattice structure and tilt angle of the alkyl chains in the condensed phase of the adsorbed monolayer are determined using GIXD. The main growth directions of the condensed phase textures are correlated with the two-dimensional lattice structure. The results, obtained for the characteristics of the condensed phase after a first order main transition, are supported by experimental bridging to the Langmuir monolayers. Phase transition of adsorbing trace impurities in model surfactants can strongly affect the characteristics of the main component. Dodecanol present as minor component in aqueous sodium

Cell for studying electron-adsorbed gas interactions; Cellule d'etudes des interactions electron-gaz adsorbe

Energy Technology Data Exchange (ETDEWEB)

Golowacz, H; Degras, D A [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires, Deptartement de Physique des Plasmas et de la Fusion Controlee, Service de Physique Appliquee, Service de Physique des Interractions Electroniques, Section d' Etude des Interactions Gaz-Solides

1967-07-01

The geometry and the technology of a cell used for investigations on electron-adsorbed gas interactions are described. The resonance frequencies of the surface ions which are created by the electron impact on the adsorbed gas are predicted by simplified calculations. The experimental data relative to carbon monoxide and neon are in good agreement with these predictions. (authors) [French] Les caracteristiques geometriques et technologiques generales d'une cellule d'etude des interactions entre un faisceau d'electrons et un gaz adsorbe sont donnees. Un calcul simplifie permet de prevoir les frequences de resonance des ions de surface crees par l'impact des electrons sur le gaz adsorbe. Les donnees experimentales sur l'oxyde de carbone et le neon confirment les previsions du calcul. (auteurs)

Removal of radionuclides from acid mine waters by retention on adsorbing materials

International Nuclear Information System (INIS)

Nascimento, M.R.L.; Fukuma, H.T.; Costa da, W.C.; Quinelato, A.L.; Gomes, H.A.; Garcia, O.Jr.

2006-01-01

This study proposes a method for decontamination of acid drainage water from a uranium mine, as an alternative process to lime treatment. The research embodied the recovery of uranium with an ion-exchange resin, treatment of effluent resin with lime, or with inorganic adsorbents and biosorbents. The uranium decontamination level using the resin process was 94% and allowed the recovery of this element as a commercial product. Among the inorganic adsorbents studied, phosphogypsum was effective for 226 Ra, 228 Ra, and 210 Pb removal. Among the biosorbents, Sargassum sp. was superior in relation to its specific capacity to accumulate and remove 226 Ra. (author)

Feasibility of using drinking water treatment residuals as a novel chlorpyrifos adsorbent.

Science.gov (United States)

Zhao, Yuanyuan; Wang, Changhui; Wendling, Laura A; Pei, Yuansheng

2013-08-07

Recent efforts have increasingly focused on the development of low-cost adsorbents for pesticide retention. In this work, the novel reuse of drinking water treatment residuals (WTRs), a nonhazardous ubiquitous byproduct, as an adsorbent for chlorpyrifos was investigated. Results showed that the kinetics and isothermal processes of chlorpyrifos sorption to WTRs were better described by a pseudo-second-order model and by the Freundlich equation, respectively. Moreover, compared with paddy soil and other documented absorbents, the WTRs exhibited a greater affinity for chlorpyrifos (log Koc = 4.76-4.90) and a higher chlorpyrifos sorption capacity (KF = 5967 mg(1-n)·L·kg(-1)) owing to the character and high content of organic matter. Further investigation demonstrated that the pH had a slight but statistically insignificant effect on chlorpyrifos sorption to WTRs; solution ionic strength and the presence of low molecular weight organic acids both resulted in concentration-dependent inhibition effects. Overall, these results confirmed the feasibility of using WTRs as a novel chlorpyrifos adsorbent.

Enhanced adsorption of phenol from water by a novel polar post-crosslinked polymeric adsorbent

International Nuclear Information System (INIS)

Zeng Xiaowei; Fan Yunge; Wu Guolin; Wang Chunhong; Shi Rongfu

2009-01-01

A novel post-crosslinked polymeric adsorbent PDM-2 was prepared by Friedel-Crafts reaction of pendant vinyl groups without external crosslinking agent. Both the specific surface area and the pore volume of starting copolymer PDM-1 increased significantly after post-crosslinking. Batch adsorption runs of phenol from aqueous solution onto PDM-1 and PDM-2 were investigated. Commercial macroporous resins XAD-4 and AB-8 were chosen as the comparison. Experimental results showed that isotherms of phenol adsorption onto these four polymeric adsorbents could be represented by Freundlich model reasonably. PDM-2 exhibited higher adsorption capacity of phenol than other three adsorbents, which resulted from synergistic effect of larger specific surface area and polar groups on the network. The adsorption process for phenol was proved to be exothermic and spontaneous in nature. Thermodynamic parameters such as Gibb's free energy (ΔG), change in enthalpy (ΔH) and change in entropy (ΔS) were calculated. Kinetics studies indicated that phenol uptake onto PDM-1 and PDM-2 followed the pseudo-second order model and the intraparticle diffusion process was a rate-controlling step. Column adsorption runs demonstrated that nearly 100% regeneration efficiency for PDM-2 by 3 BV industrial alcohol and the adsorbate phenol can be easily recovered by further distilling. Continuous column adsorption-regeneration cycles indicated negligible capacity loss of PDM-2 during operation.

Removal of lead and zinc ions from water by low cost adsorbents.

Science.gov (United States)

Mishra, P C; Patel, R K

2009-08-30

In this study, activated carbon, kaolin, bentonite, blast furnace slag and fly ash were used as adsorbent with a particle size between 100 mesh and 200 mesh to remove the lead and zinc ions from water. The concentration of the solutions prepared was in the range of 50-100 mg/L for lead and zinc for single and binary systems which are diluted as required for batch experiments. The effect of contact time, pH and adsorbent dosage on removal of lead and zinc by adsorption was investigated. The equilibrium time was found to be 30 min for activated carbon and 3h for kaolin, bentonite, blast furnace slag and fly ash. The most effective pH value for lead and zinc removal was 6 for activated carbon. pH value did not effect lead and zinc removal significantly for other adsorbents. Adsorbent doses were varied from 5 g/L to 20 g/L for both lead and zinc solutions. An increase in adsorbent doses increases the percent removal of lead and zinc. A series of isotherm studies was undertaken and the data evaluated for compliance was found to match with the Langmuir and Freundlich isotherm models. To investigate the adsorption mechanism, the kinetic models were tested, and it follows second order kinetics. Kinetic studies reveals that blast furnace slag was not effective for lead and zinc removal. The bentonite and fly ash were effective for lead and zinc removal.

Scanning tunneling microscopy studies of organic monolayers adsorbed on the rhodium(111) crystal surface

Energy Technology Data Exchange (ETDEWEB)

Cernota, Paul Davis [Univ. of California, Berkeley, CA (United States)

1999-08-01

Scanning Tunneling Microscopy studies were carried out on ordered overlayers on the (111) surface of rhodium. These adsorbates include carbon monoxide (CO), cyclohexane, cyclohexene, 1,4-cyclohexadiene, para-xylene, and meta-xylene. Coadsorbate systems included: CO with ethylidyne, CO with para- and meta-xylene, and para-xylene with meta-xylene. In the case of CO, the structure of the low coverage (2x2) overlayer has been observed. The symmetry of the unit cell in this layer suggests that the CO is adsorbed in the 3-fold hollow sites. There were also two higher coverage surface structures with (√7x√7) unit cells. One of these is composed of trimers of CO and has three CO molecules in each unit cell. The other structure has an additional CO molecule, making a total of four. This extra CO sits on a top site.

Neutralization of Rubidium Adsorbate Electric Fields by Electron Attachment

Energy Technology Data Exchange (ETDEWEB)

Sedlacek, J. A. [Univ. of Oklahoma, Norman, OK (United States); Kim, E. [Univ. of Nevada, Las Vegas, NV (United States); Rittenhouse, S. T. [Western Washington Univ., Bellingham, WA (United States); US Naval Academy, Annapolis, MD (United States); Weck, Philippe F [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sadeghpour, H. R. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States); Shaffer, J. P. [Univ. of Oklahoma, Norman, OK (United States)

2015-10-01

We investigate the (0001) surface of single crystal quartz with a submonolayer of Rb adsorbates. Using Rydberg atom electromagnetically induced transparency, we investigate the electric elds resulting from Rb adsorbed on the quartz surface, and measure the activation energy of the Rb adsorbates. We show that the Rb induces a negative electron affnity (NEA) on the quartz surface. The NEA surface allows for low energy electrons to bind to the surface and cancel the electric eld from the Rb adsorbates. Our results have implications for integrating Rydberg atoms into hybrid quantum systems and the fundamental study of atom-surface interactions, as well as applications for electrons bound to a 2D surface.

Preparation of theoretical scanning tunneling microscope images of adsorbed molecules: a theoretical study of benzene on the Cu(110) surface

International Nuclear Information System (INIS)

Shapter, J.G.; Rogers, B.L.; Ford, M.J.

2003-01-01

Full text: Since its development in 1982, the Scanning Tunneling Microscope (STM) has developed into a powerful tool for the study of surfaces and adsorbates. However, the utility of the technique can be further enhanced through the development of techniques for generating theoretical STM images. This is particularly true when studying molecules adsorbed on a substrate, as the results are often interpreted superficially due to an inadequate understanding of the orbital overlap probed in the experiment. A method of preparing theoretical scanning tunneling microscope (STM) images using comparatively inexpensive desktop computers and the commercially available CRYSTAL98 package is presented through a study of benzene adsorbed on the Cu(110) surface. Density Functional Theory (DFT) and Hartree-Fock (HF) methods are used to model clean Cu(110) slabs of various thicknesses and to simulate the adsorption of benzene onto these slabs. Eight possible orientations of benzene on the Cu(110) surface are proposed, and the optimum orientation according to the calculations is presented. Theoretical STM images of the Cu(110) surface and benzene adsorbed on the Cu(110) surface are compared with experimental STM images of the system from a published study. Significant differences are observed and are examined in detail

Flow boundary conditions for chain-end adsorbing polymer blends.

Science.gov (United States)

Zhou, Xin; Andrienko, Denis; Delle Site, Luigi; Kremer, Kurt

2005-09-08

Using the phenol-terminated polycarbonate blend as an example, we demonstrate that the hydrodynamic boundary conditions for a flow of an adsorbing polymer melt are extremely sensitive to the structure of the epitaxial layer. Under shear, the adsorbed parts (chain ends) of the polymer melt move along the equipotential lines of the surface potential whereas the adsorbed additives serve as the surface defects. In response to the increase of the number of the adsorbed additives the surface layer becomes thinner and solidifies. This results in a gradual transition from the slip to the no-slip boundary condition for the melt flow, with a nonmonotonic dependence of the slip length on the surface concentration of the adsorbed ends.

Studies on some influential factors of the zinc-activated carbon composite adsorbent on adsorptivity for uranium

International Nuclear Information System (INIS)

Miyai, Yoshitaka; Kitamura, Takao; Takagi, Norio; Katoh, Shunsaku; Miyazaki, Hidetoshi

1978-01-01

Factors, which influence the uranium adsorption of powdery composite adsorbent of basic zinc carbonate and activated carbon were studied. In the range studied, zinc content of the adsorbent was the most influential factor on the uranium adsorption, and the second influential factor was sea water volume and the third factor was adsorption period. Interactive effects were observed between zinc content and sea water volume, and between zinc content and adsorption period, and it was deduced that there existed the optimum value of sea water volume and adsorption period respectively for the zinc content of the adsorbent. Maximum uranium adsorption of adsorbent with 40% zinc content was observed at sea water volume of 15 liters and adsorption period of 25 hrs. As for temperature in the range of 15 - 35 0 C, the lower the temperature, the larger amount of adsorbed uranium was. The powdery adsorbent was made into granule, and its strength and its uranium adsorptivity were studied in relation to the granulating conditions. By use of PVA with degree of polymerization above 1,700 as binder, the granular adsorbent with the same strength as commercial granular activated carbon was obtained. PVA amount and its degree of polymerization gave only small effect on uranium adsorption of the adsorbent. Effect of granule size on the uranium adsorption rate in the range of 1 - 4 mm was that the uranium adsorption rate changed proportionally to surface area of assumed sphere. As a test for practical use, five times repetitions of adsorption and desorption were carried out on the same granular adsorbent. During the repetition the amount of adsorbed uranium rather increased, and desorption ratio of adsorbed uranium was constant at 91 - 93%. The weight loss of the adsorbent in a cycle of adsorption and desorption was about 3%. (author)

Organic adsorbates on metal surfaces. PTCDA and NTCDA on AG(110)

Energy Technology Data Exchange (ETDEWEB)

Abbasi, Afshin

2010-02-22

, the inclusion of the major part of the attractive van-der-Waals interaction brings the adsorbate back to an arrangement close to parallel to the substrate, with very small differences in height between the different subunits. With respect to experimental data obtained on Ag(111), the calculated distance between adsorbate and substrate is somewhat smaller, indicating that the open Ag(110) surface interacts more strongly with the organic compounds. This is consistent with the fact that only Ag(110) induces a brickwall unit cell of the adsorbate, a clear sign for a particularly large adsorption energy. The resulting model geometries are analysed in terms of cohesive energy, Mulliken charges, core level shifts, and vibrational properties. (orig.)

In situ determination of the depuration of three- and four-ringed polycyclic aromatic hydrocarbons co-adsorbed onto mangrove leaf surfaces

International Nuclear Information System (INIS)

Sun, Haifeng; Shi, Jing; Guo, Shuai; Zhang, Yong; Duan, Lusha

2016-01-01

A dual-wavelength fiber-optic fluorimetry for the in situ simultaneous determinations of fluorene (Flu), phenanthrene (Phe) and pyrene (Pyr) adsorbed onto the leaf surfaces of living Avicennia marina (Am) seedling were developed and used to study the depuration kinetics of the three PAHs, adsorbed individually or mixed together, onto living Am leaf surfaces. Limits of detection for the in situ measurements of adsorbed Flu, Phe and Pyr were 4.62, 2.75 and 1.38 ng spot"−"1, respectively. The depuration kinetics of the three selected polycyclic aromatic hydrocarbons (PAHs) are divided into rapid and slow phases; both phases followed the same first-order kinetics with relative clearance rates of Flu > Phe > Pyr during the rapid phase, and a clearance rate order of Pyr > Flu > Phe during the slow phase. For the three PAHs co-adsorbed on living Am leaf surfaces, a significant synergistic effect was detected during the rapid phase clearance; conversely, an antagonistic effect was observed during the slow phase. However, the synergistic effect dominated during both phases of the depuration process, and the co-adsorption of PAHs promoted the clearance of all three compounds from the mangrove leaf surfaces. These findings demonstrate a novel analytical method for in situ characterization of multiple PAHs adsorbed onto the plant surfaces. - Highlights: • A novel method for the in situ determination of multi-component PAHs was developed. • Synergistic and antagonistic effects separately occurred over rapid and slow phases. • The clearance of all three PAHs from leaf surfaces was promoted by co-adsorption. - The co-adsorption of PAHs promoted the depuration of all three compounds from the mangrove leaf surfaces.

Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

Energy Technology Data Exchange (ETDEWEB)

Peterson, E.S.

1992-08-01

A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

Theory and Monte-Carlo simulation of adsorbates on corrugated surfaces

DEFF Research Database (Denmark)

Vives, E.; Lindgård, P.-A.

1993-01-01

-phase between the commensurate and incommensurate phase stabilized by defects. Special attention has been given to the study of the epitaxial rotation angles of the different phases. Available experimental data is in agreement with the simulations and with a general theory for the epitaxial rotation which takes......Phase transitions in systems of adsorbed molecules on corrugated surfaces are studied by means of Monte Carlo simulation. Particularly, we have studied the phase diagram of D2 on graphite as a function of coverage and temperature. We have demonstrated the existence of an intermediate gamma...

In Situ Evaluation of Density, Viscosity and Thickness of Adsorbed Soft Layers by Combined Surface Acoustic Wave and Surface Plasmon Resonance

OpenAIRE

Francis, L.; Friedt, J. -M.; Zhou, C.; Bertrand, P.

2003-01-01

We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is...

EDTA functionalized magnetic nanoparticle as a multifunctional adsorbent for Congo red dye from contaminated water

Science.gov (United States)

Sahoo, Jitendra Kumar; Rath, Juhi; Dash, Priyabrat; Sahoo, Harekrushna

2017-05-01

The present work reports the applicability of magnetite iron nanoparticles (Fe3O4) functionalized with ethylenediaminetetraacetic acid (EDTA) as an efficient adsorbent for the removal of Congo red (CR) dye from contaminated water. Magnetic nanoparticles (Fe3O4) are prepared by chemical precipitation method in which Fe2+ and Fe3+ salt from aqueous solution were reacted in presence of ammonia solution. The surface of Fe3O4 nanoparticle was first coated with (3-aminopropyl) triethoxy silane (APTES) by a salinization reaction and then linked with EDTA via reaction between -NH2 and -COOH to form well dispersed surface functionalised biocompatible magnetic nanoparticles. The obtained EDTA functionalized magnetic nanoparticles are characterized in terms of their morphological, XRD, BET surface area analysis, Fourier transform infrared spectroscopy (FT-IR) and Vibrating sample magnetometer (VSM). The adsorption of CR on Fe3O4-APTES-EDTA nanocomposite corresponds well to the Langmuir model and the Freundlich model respectively. The adsorption processes for CR followed the pseudo-second-order model.

Design, construction and test run of a solid adsorption solar refrigerator using activated carbon/methanol, as adsorbent/adsorbate pair

International Nuclear Information System (INIS)

Anyanwu, E.E.; Ezekwe, C.I.

2003-01-01

The design, construction and test run of a solid adsorption solar refrigerator are presented. It used activated carbon/methanol as the adsorbent/adsorbate pair. The refrigerator has three major components: collector/generator/adsorber, condenser and evaporator. Its flat plate type collector/generator/adsorber used clear plane glass sheet of effective exposed area of 1.2 m 2 . The steel condenser tube with a square plan view was immersed in pool of stagnant water contained in a reinforced sandcrete tank. The evaporator is a spirally coiled copper tube immersed in stagnant water. Adsorbent cooling during the adsorption process is both by natural convection of air over the collector plate and tubes and night sky radiation facilitated by removing the collector box end cover plates. Ambient temperatures during the adsorbate generation and adsorption process varied over 18.5-34 deg. C. The refrigerator yielded evaporator temperatures ranging over 1.0-8.5 deg. C from water initially in the temperature range 24-28 deg. C. Accordingly, the maximum daily useful cooling produced was 266.8 kJ/m 2 of collector area

Density functional study of TaSin (n = 1-3, 12) clusters adsorbed to graphene surface

International Nuclear Information System (INIS)

Guo Ping; Zheng Lin; Zheng Jiming; Zhang Ruizhi; Yang Luna; Ren, Zhaoyu

2011-01-01

A plane-wave density functional theory (DFT) calculations have been performed to investigate structural and electronic properties of TaSi n (n = 1-3, 12) clusters supported by graphene surface. The resulting adsorption structures are described and discussed in terms of stability, bonding, and electron transfer between the cluster and the graphene. The TaSi n clusters on graphene surface favor their free-standing ground-state structures. Especially in the cases of the linear TaSi 2 and the planar TaSi 3 , the graphene surface may catalyze the transition of the TaSi n clusters from an isomer of lower dimensionality into the ground-state structure. The adsorption site and configuration of TaSi n on graphene surface are dominated by the interaction between Ta atom and graphene. Ta atom prefers to adsorb on the hollow site of graphene, and Si atoms tend to locate on the bridge site. Further, the electron transfer is found to proceed from the cluster to the surface for n = 1 and 2, while its direction reverses as n > 2. For the case of TaSi, chemisorption is shown to prevail over physisorption as the dominant mode of surface-adsorbate interaction by charge density analysis.

The Dynamics and Structures of Adsorbed Surfaces

DEFF Research Database (Denmark)

Nielsen, M; Ellenson, W. D.; McTague, J. P.

1978-01-01

. Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36Ar and D2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility...

Zirconium-based highly porous metal-organic framework (MOF-545) as an efficient adsorbent for vortex assisted-solid phase extraction of lead from cereal, beverage and water samples.

Science.gov (United States)

Tokalıoğlu, Şerife; Yavuz, Emre; Demir, Selçuk; Patat, Şaban

2017-12-15

In this study, zirconium-based highly porous metal-organic framework, MOF-545, was synthesized and characterized. The surface area of MOF-545 was found to be 2192m 2 /g. This adsorbent was used for the first time as an adsorbent for the vortex assisted-solid phase extraction of Pb(II) from cereal, beverage and water samples. Lead in solutions was determined by FAAS. The optimal experimental conditions were as follows: the amount of MOF-545, 10mg; pH of sample, 7; adsorption and elution time, 15min; and elution solvent, 2mL of 1molL -1 HCl. Under the optimal conditions of the method, the limit of detection, preconcentration factor and precision as RSD% were found to be 1.78μgL -1 , 125 and 2.6%, respectively. The adsorption capacity of the adsorbent for lead was found to be 73mgg -1 . The method was successfully verified by analyzing two certified reference materials (BCR-482 Lichen and SPS-WW1 Batch 114) and spiked chickpea, bean, wheat, lentil, cherry juice, mineral water, well water and wastewater samples. Copyright © 2017 Elsevier Ltd. All rights reserved.

An in-situ RBS system for measuring nuclides adsorbed at the liquid-solid interface

Energy Technology Data Exchange (ETDEWEB)

Morita, K; Yuhara, J; Ishigami, R [Nagoya Univ. (Japan). School of Engineering; and others

1997-03-01

An in-situ RBS system has been developed in which heavier nuclides adsorbed at the inner surface of a thin lighter window specimen of liquid container in order to determine the rate constants for their sorption and release at the interface. The testing of a thin silicon window of the sample assembly, in which Xe gas of one atmosphere was enclosed, against the bombardment of the probing ion beam has been performed. A desorption behavior of a lead layer adsorbed at the SiO{sub 2} layer of silicon window surface into deionized water has been measured as a preliminary experiment. (author)

Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

International Nuclear Information System (INIS)

Kroeger, J

2008-01-01

Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

The application of Fe–Mn hydrous oxides based adsorbent for removing selenium species from water

KAUST Repository

Szlachta, Małgorzata

2013-02-01

In this study, the adsorptive removal of selenium(IV) and selenium(VI) from water by a newly developed ion exchange adsorbent, based on Fe(III) and Mn(III) hydrous oxides, was examined. This study was conducted to determine the influence of various operating parameters, such as initial anion concentration, contact time, adsorbent dose, pH, solution temperature, and the presence of competitive anions, on the treatment performance. The high Se(IV) adsorptive capacity of the adsorbent (up to 41.02. mg/g at pH 4) was due to its high affinity for selenite, as reflected in the fast rate of uptake (batch studies) and an efficient long-term removal (column experiments). Although adsorption of anions traditionally decreases as pH increases, the mixed adsorbent was capable of purifying large volumes of Se(IV)-containing water (at pH 7) to reach concentrations lower than 10 μg/L, which meets the European Commission standards. The presence of sulphate and carbonate did not influence Se(IV) adsorption. However, high phosphate and silicate concentrations may have decreased the removal efficiency of Se(IV). Data from the batch and column adsorption experiments were fitted with a number of approved models, which revealed the adsorption mechanism and allowed for a comparison of the results. © 2012 Elsevier B.V.

Design and performance prediction of a new generation adsorption chiller using composite adsorbent

International Nuclear Information System (INIS)

Gong, L.X.; Wang, R.Z.; Xia, Z.Z.; Chen, C.J.

2011-01-01

Research highlights: → Composite adsorbent 'employing lithium chloride in silica gel' and water as working pair. → A new type adsorbent bed is used to accommodate the composite adsorbent. → A dynamic model of the adsorption chiller is built. → The coefficient of performance (COP) and the cooling capacity will be improved. -- Abstract: This paper presents a novel adsorption chiller using composite adsorbent 'employing lithium chloride in silica gel' as adsorbent and water as adsorbate. A new type adsorbent bed is used to accommodate the composite adsorbent. The mass recovery between two adsorbent beds usually results in the adsorbate unbalance. So a novel auto water makeup unite is used to solve the problem. A dynamic model of the adsorption chiller is built based on the adsorption isotherms to predict the performance. The simulation result shows that the coefficient of performance (COP) and the cooling capacity will increase by using this new composite adsorbent. When the temperatures of hot water inlet, cooling water inlet, and chilled water inlet are 363, 303 and 293 K, COP will be 0.43, and the cooling capacity will be 5.295 kW. Also operation strategy is optimized. Different temperatures of hot water inlet, cooling water inlet and chilling water inlet will result in different COP and cooling capacity.

Immobilized Tannin from Sanseviera trifasciata on Carbon as Adsorbent For Iron(II in Polluted Water Source

Directory of Open Access Journals (Sweden)

Irfan Hanafi Arif

2016-03-01

Full Text Available The organic-agricultural waste resulted from local farmer or community gardening recently paid public attention. The presence and easily grown of “Lidah Mertua” or Sanseviera trifasciata being focused on potency investigation for its prospecting application. It was reported contain some phenolic and also tannin extracted from aqueous solvents. This paper revealed recent investigation applying of its isolated tannin from leave part to modifying of activated carbon. The previous report published that carbon were able to adsorb some toxic heavy metals. However, it has some limitation including lower capacity adsorption. Impregnated or immobilized the tannin-isolated from S. trifasciata leaves was able to modify the carbon functionality, physical appearance, pores size, and it adsorption capacity. Both Langmuir and Freundlich adsorption mechanism model also disclosed the developed adsorbent mechanism of iron(II adsorption on the adsorbent tannin-immobolized on carbon. The real test using community well drilling water source also gave important finding on the concentration of iron(II contained on water source.

Study of the Adsorbent-Adsorbate Interactions from Cd(II) and Pb(II) Adsorption on Activated Carbon and Activated Carbon Fiber

Energy Technology Data Exchange (ETDEWEB)

Kim, Dae Ho; Kim, Doo Won; Kim, Bohye; Yang, Kap Seung [Chonnam National Univ., Gwangju (Korea, Republic of); Lim, Yongkyun; Park, Eun Nam [Microfilter Co., Ltd, Seoul (Korea, Republic of)

2013-02-15

The adsorption characteristics of Cd(II) and Pb(II) in aqueous solution using granular activated carbon (GAC), activated carbon fiber (ACF), modified ACF (NaACF), and a mixture of GAC and NaACF (GAC/NaACF) have been studied. The surface properties, such as morphology, surface functional groups, and composition of various adsorbents were determined using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The specific surface area, total pore volume, and pore size distribution were investigated using nitrogen adsorption, Brunauer-Emmett-Teller (BET), and Barrett-Joyner-Halenda (BJH) methods. In this study, NaACF showed a high adsorption capacity and rate for heavy metal ions due to the improvement of its ion-exchange capabilities by additional oxygen functional groups. Moreover, the GAC and NaACF mixture was used as an adsorbent to determine the adsorbent-adsorbate interaction in the presence of two competitive adsorbents.

Study of the Adsorbent-Adsorbate Interactions from Cd(II) and Pb(II) Adsorption on Activated Carbon and Activated Carbon Fiber

International Nuclear Information System (INIS)

Kim, Dae Ho; Kim, Doo Won; Kim, Bohye; Yang, Kap Seung; Lim, Yongkyun; Park, Eun Nam

2013-01-01

The adsorption characteristics of Cd(II) and Pb(II) in aqueous solution using granular activated carbon (GAC), activated carbon fiber (ACF), modified ACF (NaACF), and a mixture of GAC and NaACF (GAC/NaACF) have been studied. The surface properties, such as morphology, surface functional groups, and composition of various adsorbents were determined using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The specific surface area, total pore volume, and pore size distribution were investigated using nitrogen adsorption, Brunauer-Emmett-Teller (BET), and Barrett-Joyner-Halenda (BJH) methods. In this study, NaACF showed a high adsorption capacity and rate for heavy metal ions due to the improvement of its ion-exchange capabilities by additional oxygen functional groups. Moreover, the GAC and NaACF mixture was used as an adsorbent to determine the adsorbent-adsorbate interaction in the presence of two competitive adsorbents

Collective migration of adsorbed atoms on a solid surface in the laser radiation field

International Nuclear Information System (INIS)

Andreev, V V; Ignat'ev, D V; Telegin, Gennadii G

2004-01-01

The lateral (in the substrate plane) interaction between dipoles induced in particles adsorbed on a solid surface is studied in a comparatively weak laser radiation field with a Gaussian transverse distribution. It is shown that the particles migrate over the surface in the radial direction either outside an illuminated spot with the formation of a 'crater' or inside the spot with the formation of a 'mound'. (interaction of laser radiation with matter. laser plasma)

New type of amidoxime-group-containing adsorbent for the recovery of uranium from seawater. III. Recycle use of adsorbent

International Nuclear Information System (INIS)

Omichi, H.; Katakai, A.; Sugo, T.; Okamoto, J.

1986-01-01

An amidoxime-group adsorbent for recovering uranium from seawater was made by radiation-induced graft polymerization of acrylonitrile onto polymeric fiber, followed by amidoximation. Uranium adsorption of the adsorbent contacted with seawater in a column increased with the increase in flow rate, then leveled off. The relationship between uranium adsorption in a batch process and the ratio of the amount of seawater to that of adsorbent was found to be effective in evaluating adsorbent contacted with any amount of seawater. The conditioning of the adsorbent with an alkaline solution at higher temperature (∼80 0 C) after the acid desorption recovered the adsorption ability to the original level. This made it possible to apply the adsorbent to recycle use. On the other hand, the adsorbent conditioned at room temperature or that without conditioning lost adsorption ability during recycle use. The increase in water uptake was observed as one of the physical changes produced during recycle use of the alkaline-conditioned adsorbent, while the decrease in water uptake was observed with the unconditioned adsorbent. The IR spectra of the adsorbent showed a probability of reactions of amidoxime groups with acid and alkaline solutions, which can explain the change in uranium adsorption during the adsorption-desorption cycle

A remarkable adsorbent for removal of contaminants of emerging concern from water: Porous carbon derived from metal azolate framework-6.

Science.gov (United States)

Bhadra, Biswa Nath; Jhung, Sung Hwa

2017-10-15

A series of metal-azolate frameworks or MAFs-MAF-4, -5, and -6-were synthesized and pyrolyzed to prepare porous carbons derived from MAFs (CDM-4, -5, -6, respectively). Not only the obtained carbons but also MAFs were characterized and applied for the adsorption of organic contaminants of emerging concern (CECs, including pharmaceuticals and personal care products) such as salicylic acid, clofibric acid, diclofenac sodium, bisphenol-A, and oxybenzone (OXB) from water. CDM-6 was found to be the most remarkable adsorbent among the tested ones (including activated carbon) for all the adsorbates. OXB was taken as a representative adsorbate for detailed adsorption studies as well as understanding the adsorption mechanism. H-bonding (H-acceptor: CDM; H-donor: CECs) was suggested as the principal mechanism for the adsorption of tested adsorbates. Finally, CDMs, especially CDM-6, were suggested as highly efficient and easily recyclable adsorbents for water purification. Copyright © 2017 Elsevier B.V. All rights reserved.

Kape barako (coffea liberica) grounds as adsorbent for the removal of lead in lead-enriched Marikina river water samples

International Nuclear Information System (INIS)

Valera, Florenda S.; Garcia, Jhonard John L.

2015-01-01

Kape Barako (Coffee liberica) grounds (residue left after brewing ground coffee) were used as adsorbent for the removal of lead in Marikina River water samples. The sundried coffee grounds showed 9.30% moisture after drying in the oven. The coffee grounds were determined using Shimadzu AA-6501S Atomic Adsorption Spectrometer. The lead concentration was determined to be 4.7 mg/kg in coffee grounds and below detection limit in the Marikina River water samples. The adsorption studies were done at room temperature, and the optimized parameters were a contact time of 3 hours, an adsorbent dose of 3.0 g/L and 4.0 mg/L Pb-enriched water samples. The maximum uptake capacity was found to be 14.2 mg of lead/g adsorbent. The adsorption studies were done at room temperature, and the optimized parameters were a contact time of 3 hours, an adsorbent dose of 3.0 g/L and 4.0 mg/L Pb-enriched water samples. Analyses of the coffee grounds before and after lead adsorption using Shimadzu IR-Affinity-I Fourier Transform Infrared Spectrometer showed marked difference in the spectra, indicating interaction between Pb and the functional groups of the coffee grounds. (author)

Integrin-mediated adhesion of human mesenchymal stem cells to extracellular matrix proteins adsorbed to polymer surfaces

International Nuclear Information System (INIS)

Dånmark, S; Mustafa, K; Finne-Wistrand, A; Albertsson, A-C; Patarroyo, M

2012-01-01

In vitro, degradable aliphatic polyesters are widely used as cell carriers for bone tissue engineering, despite their lack of biological cues. Their biological active surface is rather determined by an adsorbed layer of proteins from the surrounding media. Initial cell fate, including adhesion and proliferation, which are key properties for efficient cell carriers, is determined by the adsorbed layer of proteins. Herein we have investigated the ability of human bone marrow derived stem cells (hBMSC) to adhere to extracellular matrix (ECM) proteins, including fibronectin and vitronectin which are present in plasma and serum. hBMSC expressed integrins for collagens, laminins, fibronectin and vitronectin. Accordingly, hBMSC strongly adhered to these purified ECM proteins by using the corresponding integrins. Although purified fibronectin and vitronectin adsorbed to aliphatic polyesters to a lower extent than to cell culture polystyrene, these low levels were sufficient to mediate adhesion of hBMSC. It was found that plasma- and serum-coated polystyrene adsorbed significant levels of both fibronectin and vitronectin, and fibronectin was identified as the major adhesive component of plasma for hBMSC; however, aliphatic polyesters adsorbed minimal levels of fibronectin under similar conditions resulting in impaired cell adhesion. Altogether, the results suggest that the efficiency of aliphatic polyesters cell carriers could be improved by increasing their ability to adsorb fibronectin. (paper)

Emission of positive oxygen ions from ion bombardment of adsorbate-covered metal surfaces

International Nuclear Information System (INIS)

Kaurin, M.G.

1989-01-01

During ion bombardment of metal surfaces, collision cascades can result in the emission of sputtered secondary ions. Recent experiments, however, have suggested that the emission of positive ions of electronegative adsorbates can result from electronic processes rather than from processes involving elastic collisions. This dissertation presents the results of experiments studying the emission of positive oxygen ions from oxygen- and carbon-monoxide-covered transition metal surfaces during bombardment by 25-250 keV ions of neon, argon, and krypton. The systems studied may be grouped into four categories. For a nickel substrate with adsorbed oxygen, the emission of positive oxygen ions proceeds through collision cascades. For titanium and niobium with adsorbed oxygen, the emission of positive oxygen ions is proportional to the primary ion velocity, consistent with emission from electronic processes; for a given primary ion velocity, the oxygen ion yield is independent of primary ion species. For substrates of molybdenum and tungsten, the oxygen yield is proportional to primary ion velocity, but the yield also depends on the primary ion species for a given primary ion velocity in a manner that is consistent with emission resulting from electronic processes. For these two groups, except for titanium, the yields during neon ion bombardment do not extrapolate (assuming linearity with primary ion velocity) to a nonzero value at zero beam velocity. The magnitude of the oxygen ion yields from these targets is not consistent with that expected if the emission were induced by secondary electrons emitted during the ion bombardment

In situ evaluation of density, viscosity, and thickness of adsorbed soft layers by combined surface acoustic wave and surface plasmon resonance.

Science.gov (United States)

Francis, Laurent A; Friedt, Jean-Michel; Zhou, Cheng; Bertrand, Patrick

2006-06-15

We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity, and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For the highest sensitivity and an operation in liquids, a Love mode surface acoustic wave (SAW) sensor with a hydrophobized gold-coated sensing area is the acoustic method, while surface plasmon resonance (SPR) on the same gold surface as the optical method is monitored simultaneously in a single setup for the real-time and label-free measurement of the parameters of adsorbed soft layers, which means for layers with a predominant viscous behavior. A general mathematical modeling in equivalent viscoelastic transmission lines is presented to determine the correlation between experimental SAW signal shifts and the waveguide structure including the presence of the adsorbed layer and the supporting liquid from which it segregates. A methodology is presented to identify from SAW and SPR simulations the parameters representatives of the soft layer. During the absorption of a soft layer, thickness or viscosity changes are observed in the experimental ratio of the SAW signal attenuation to the SAW signal phase and are correlated with the theoretical model. As application example, the simulation method is applied to study the thermal behavior of physisorbed PNIPAAm, a polymer whose conformation is sensitive to temperature, under a cycling variation of temperature between 20 and 40 degrees C. Under the assumption of the bulk density and the bulk refractive index of PNIPAAm, thickness and viscosity of the film are obtained from simulations; the viscosity is correlated to the solvent content of the physisorbed layer.

Iodine and fluorine removal of the water using two synthetic adsorbents of great fixation capacity

International Nuclear Information System (INIS)

Neri G, M.; Badillo A, V. E.

2012-10-01

In this work is studied the affinity of two synthetic adsorbents of great fixation capacity, the alumina and the hydroxyapatite, as alternative for the removal of two halogens, iodine and fluorine of the water; the first of importance in the radioactive wastes management and the second of interest in public health. This study was carried out applying the technique of radioactive tracers, with 131 I and the radionuclide 18 F (it produced in the unit PET-cyclotron of the UNAM). The affinity of the synthetic adsorbents for the halogens is expressed in terms of the distribution coefficient and of the retention percent in function of the solution ph. The results obtained for the iodine and fluorine in the synthetic solids are markedly different; in the case of the iodine, the retention is worthless in the whole interval of studied ph while for the fluorine high distribution coefficient and fixation percentages are presented of until 100%. Also for the fluorine in hydroxyapatite high distribution coefficients and superiors are obtained in relation to those that are obtained in the alumina. In both solids the fluorine retention diminishes as the ph of the solution increases, what shows the competition with the hydroxyl ions for the active places in surface. (Author)

Comparison of Analytical and Numerical Model of Adsorber/desorber of Silica Gel-Water Adsorption Heat Pump

Directory of Open Access Journals (Sweden)

Katarzyna Zwarycz-Makles

2017-03-01

Full Text Available In the paper comparison of an analytical and a numerical model of silica gel/water adsorber/desorber was presented. Adsorber/desorber as a part of the two–bed single–stage adsorption heat pump was discussed. The adsorption heat pump under consideration consists of an evaporator, two adsorber/desorber columns and a condenser. During operation of assumed adsorption heat pump only heat and mass transfer was taken into account. The both presented mathematical models were created to describe the temperature, heat and concentration changes in the adsorber/desorber and consequently to describe the performance of the adsorption heat pump. Adsorption equilibrium was described by the Dubinin-Astachov model. Adsorption and desorption process dynamics was described by application of the linear driving force model (LDF. In the analysis temperatures of evaporation and condensation were constant.

Observation of dynamic water microadsorption on Au surface

Energy Technology Data Exchange (ETDEWEB)

Huang, Xiaokang, E-mail: xiaokang.huang@tqs.com; Gupta, Gaurav; Gao, Weixiang; Tran, Van; Nguyen, Bang; McCormick, Eric; Cui, Yongjie; Yang, Yinbao; Hall, Craig; Isom, Harold [TriQuint Semiconductor, Inc., 500 W Renner Road, Richardson, Texas 75080 (United States)

2014-05-15

Experimental and theoretical research on water wettability, adsorption, and condensation on solid surfaces has been ongoing for many decades because of the availability of new materials, new detection and measurement techniques, novel applications, and different scales of dimensions. Au is a metal of special interest because it is chemically inert, has a high surface energy, is highly conductive, and has a relatively high melting point. It has wide applications in semiconductor integrated circuitry, microelectromechanical systems, microfluidics, biochips, jewelry, coinage, and even dental restoration. Therefore, its surface condition, wettability, wear resistance, lubrication, and friction attract a lot of attention from both scientists and engineers. In this paper, the authors experimentally investigated Au{sub 2}O{sub 3} growth, wettability, roughness, and adsorption utilizing atomic force microscopy, scanning electron microscopy, reflectance spectrometry, and contact angle measurement. Samples were made using a GaAs substrate. Utilizing a super-hydrophilic Au surface and the proper surface conditions of the surrounding GaAs, dynamic microadsorption of water on the Au surface was observed in a clean room environment. The Au surface area can be as small as 12 μm{sup 2}. The adsorbed water was collected by the GaAs groove structure and then redistributed around the structure. A model was developed to qualitatively describe the dynamic microadsorption process. The effective adsorption rate was estimated by modeling and experimental data. Devices for moisture collection and a liquid channel can be made by properly arranging the wettabilities or contact angles of different materials. These novel devices will be very useful in microfluid applications or biochips.

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

Science.gov (United States)

Maurer, Reinhard J; Reuter, Karsten

2013-07-07

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

Bioavailability of Carbon Nanomaterial-Adsorbed Polycyclic Aromatic Hydrocarbons to Pimphales promelas: Influence of Adsorbate Molecular Size and Configuration.

Science.gov (United States)

Linard, Erica N; Apul, Onur G; Karanfil, Tanju; van den Hurk, Peter; Klaine, Stephen J

2017-08-15

Despite carbon nanomaterials' (CNMs) potential to alter the bioavailability of adsorbed contaminants, information characterizing the relationship between adsorption behavior and bioavailability of CNM-adsorbed contaminants is still limited. To investigate the influence of CNM morphology and organic contaminant (OC) physicochemical properties on this relationship, adsorption isotherms were generated for a suite of polycyclic aromatic hydrocarbons (PAHs) on multiwalled carbon nanotubes (MWCNTs) and exfoliated graphene (GN) in conjunction with determining the bioavailability of the adsorbed PAHs to Pimphales promelas using bile analysis via fluorescence spectroscopy. Although it appeared that GN adsorbed PAHs indiscriminately compared to MWCNTs, the subsequent bioavailability of GN-adsorbed PAHs was more sensitive to PAH morphology than MWCNTs. GN was effective at reducing bioavailability of linear PAHs by ∼70%, but had little impact on angular PAHs. MWCNTs were sensitive to molecular size, where bioavailability of two-ringed naphthalene was reduced by ∼80%, while bioavailability of the larger PAHs was reduced by less than 50%. Furthermore, the reduction in bioavailability of CNM-adsorbed PAHs was negatively correlated with the amount of CNM surface area covered by the adsorbed-PAHs. This study shows that the variability in bioavailability of CNM-adsorbed PAHs is largely driven by PAH size, configuration and surface area coverage.

Lake Water Quality Improvement by Using Waste Mussel Shell Powder as an Adsorbent

Science.gov (United States)

Zukri, N. I.; Khamidun, M. H.; Sapiren, M. S.; Abdullah, S.; Rahman, M. A. A.

2018-04-01

Lake water in UTHM was slightly greenish in color indicating the eutrophication process. Eutrophication problem is due to excessive amount of nutrient in the lake water which causes nuisance growth of algae and other aquatic plant. The improvement of lake water quality should be conducted wisely in preventing from eutrophication problem by using a suitable water treatment method. Natural materials, agricultural wastes and industrial wastes are locally available sources can be utilized as low-cost adsorbents. The natural abundant source of waste mussel’s shells is advantages to use as basis material to produce the low cost adsorbent for water treatment. Batch experiments were carried out with the preparation 500 ml volume of lake water sample with the dosage of 2.5g, 7.5g and 12.5g. Then the solution shaking in an incubator with 200 rpm shaking speed. The various dosage of mussel shell greatly affected pollutants removal. Both of NH4+ and PO43- have a higher percentage removal with 31.28% and 21.74% at the 7.5g of sample dosage. Other parameters such as COD and TSS also shown good percentage of removal at 7.5g of dosage sample with 44.45% and 25% respectively. While, dosage at 2.5g was performed as a good adsorption capacity of NH4+, PO43-, COD and TSS as high as 0.142, 0.234, 7.6 and 20 mg/g, respectively. These experimental results suggested that the use of mussel shell powder as good basis material in removing pollutants from lake water.

The adsorber loop concept for the contact between seawater and adsorber granulate

International Nuclear Information System (INIS)

Koske, P.H.; Ohlrogge, K.

1984-01-01

The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the depleted water before this is leaving the adsorption unit. This concept enables high seawater velocities thus reducing the required bed area. Theoretical considerations are presented together with experimental results from field tests. (orig.) [de

From illite/smectite clay to mesoporous silicate adsorbent for efficient removal of chlortetracycline from water.

Science.gov (United States)

Wang, Wenbo; Tian, Guangyan; Zong, Li; Zhou, Yanmin; Kang, Yuru; Wang, Qin; Wang, Aiqin

2017-01-01

A series of mesoporous silicate adsorbents with superior adsorption performance for hazardous chlortetracycline (CTC) were sucessfully prepared via a facile one-pot hydrothermal reaction using low-cost illite/smectite (IS) clay, sodium silicate and magnesium sulfate as the starting materials. In this process, IS clay was "teared up" and then "rebuilt" as new porous silicate adsorbent with high specific surface area of 363.52m 2 /g (about 8.7 folds higher than that of IS clay) and very negative Zeta potential (-34.5mV). The inert SiOSi (Mg, Al) bonds in crystal framework of IS were broken to form Si(Al) O - groups with good adsorption activity, which greatly increased the adsorption sites served for holding much CTC molecules. Systematic evaluation on adsorption properties reveals the optimal silicate adsorbent can adsorb 408.81mg/g of CTC (only 159.7mg/g for raw IS clay) and remove 99.3% (only 46.5% for raw IS clay) of CTC from 100mg/L initial solution (pH3.51; adsorption temperature 30°C; adsorbent dosage, 3g/L). The adsorption behaviors of CTC onto the adsorbent follows the Langmuir isotherm model, Temkin equation and pseudo second-order kinetic model. The mesopore adsorption, electrostatic attraction and chemical association mainly contribute to the enhanced adsorption properties. As a whole, the high-efficient silicate adsorbent could be candidates to remove CTC from the wastewater with high amounts of CTC. Copyright © 2016. Published by Elsevier B.V.

Characterization of Activated Carbon from Coal and Its Application as Adsorbent on Mine Acid Water Treatment

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Siti Hardianti

2017-06-01

Full Text Available Anthracite and Sub-bituminous as activated carbon raw material had been utilized especially in mining field as adsorbent of dangerous heavy metal compound resulted in mining activity. Carbon from coal was activated physically and chemically in various temperature and particle sizes. Characterization was carried out in order to determine the adsorbent specification produced hence can be used and applied accordingly. Proximate and ultimate analysis concluded anthracite has fixed carbon 88.91% while sub-bituminous 49.05%. NaOH was used in chemical activation while heated at 400-500°C whereas physical activation was conducted at 800-1000°C. Activated carbon has high activity in adsorbing indicated by high iodine number resulted from analysis. SEM-EDS result confirmed that activated carbon made from coal has the quality in accordance to SNI and can be used as adsorbent in acid water treatment.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

Energy Technology Data Exchange (ETDEWEB)

López-Moreno, S., E-mail: sinlopez@uacam.mx [Centro de Investigación en Corrosión, Universidad Autónoma de Campeche, Av. Héroe de Nacozari 480, Campeche, Campeche 24029 (Mexico); Romero, A. H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

2015-04-21

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O{sub 2} molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

Science.gov (United States)

López-Moreno, S.; Romero, A. H.

2015-04-01

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

International Nuclear Information System (INIS)

López-Moreno, S.; Romero, A. H.

2015-01-01

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O 2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered

Ecological applications of the irradiated adsorbents

International Nuclear Information System (INIS)

Tusseyev, T.

2004-01-01

Full text: In our previous works it was shown that after irradiation some adsorbents gain new interesting properties such as increasing (or decreasing) of their adsorption capacity, selectivity in relation to some gases, change of chemical bounds of gas molecules with adsorbent surface as well as other properties. We investigated a lot of adsorbents with semiconducting and dielectric properties. A high temperature superconductor was investigated also. Adsorbents were irradiated by ultraviolet (UV) and gamma - radiation, reactor (n.γ) - radiation, α-particles (E=40-50 MeV), protons ( E=30 MeV), and also He-3 ions (E-29-60 MeV). The following techniques were used: volumetric (manometrical), mass-spectrometer and IR spectroscopic methods, and also method of electronic - paramagnetic resonance (spin paramagnetic resonance) The obtained results allow to speak about creation of new adsorbents for gas purification (clearing) from harmful impurities, gas selection into components, an increasing of adsorbing surface. Thus one more advantage of the irradiated adsorbents is that they have 'memory effect', i.e. they can be used enough long time after irradiation. In laboratory conditions we built the small-sized adsorptive pump on the basis of the irradiated zeolites which are capable to work in autonomous conditions. It was found, that some of adsorbents after irradiation gain (or lose) selectivity in relation to definite gases. So, silica gel, which one in initial state does not adsorb hydrogen, after gamma irradiation it becomes active in relation to hydrogen. Some of rare earths oxides also show selectivity in relation to hydrogen and oxygen depending on a type of irradiation. Thus, it is possible to create different absorbents, depending on a solved problem, using a way or selection of adsorbents, either of radiation type and energy, as a result obtained adsorbents can be used for various ecological purposes

Influence of organic solvents on interfacial water at surfaces of silica gel and partially silylated fumed silica

International Nuclear Information System (INIS)

Turov, V.V.; Gun'ko, V.M.; Tsapko, M.D.; Bogatyrev, V.M.; Skubiszewska-Zieba, J.; Leboda, R.; Ryczkowski, J.

2004-01-01

The effects of organic solvents (dimethylsulfoxide-d 6 (DMSO-d 6 ), chloroform-d, acetone-d 6 , and acetonitrile-d 3 ) on the properties of interfacial water at surfaces of silica gel Si-40 and partially silylated fumed silica A-380 were studied by means of the 1 H NMR spectroscopy with freezing-out of adsorbed water at 180 1 H NMR investigations were also analysed on the basis of the structural characteristics of silicas and quantum chemical calculations of the chemical shifts δ H and solvent effects. DMSO-d 6 and acetonitrile-d 3 are poorly miscible with water in silica gel pores in contrast to the bulk liquids. DMSO-d 6 and chloroform-d affect the structure of the interfacial water weaker than acetone-d 6 and acetonitrile-d 3 at amounts of liquids greater than the pore volume. Acetone-d 6 and acetonitrile-d 3 can displace water from pores under this condition. The chemical shift of protons in water adsorbed on silica gel is 3.5-6.5 ppm, which corresponds to the formation of two to four hydrogen bonds per molecule. Water adsorbed on partially silylated fumed silica has two 1 H NMR signals at 5 and 1.1-1.7 ppm related to different structures (droplets and small clusters) of the interfacial water

Arsenic removal from water using low-cost adsorbents: A comparative study

Directory of Open Access Journals (Sweden)

Rajaković Ljubinka V.

2011-01-01

Full Text Available Inorganic arsenic removal from water using low-cost adsorbents is presented in this paper. Selective removal of As(III and As(V from water was performed with natural materials (zeolite, bentonite, sepiolite, pyrolusite and limonite and industrial by-products (waste filter sand as a water treatment residual and blast furnace slag from steel production; all inexpensive and locally available. Kinetic and equilibrium studies were realized using batch system techniques under conditions that are likely to occur in real water treatment systems. The natural zeolite and the industrial by-products were found to be good and inexpensive sorbents for arsenic while bentonite and sepiolite clays showed little affinity towards arsenic. The highest maximum sorption capacities were obtained for natural zeolite, 4.07 mg As(V g-1, and waste iron slag, 4.04 mg As(V g-1.

The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shuyuan [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Zhang, Hong, E-mail: hongzhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Miyamoto, Yoshiyuki [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

2014-01-15

Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

International Nuclear Information System (INIS)

Zhang, Shuyuan; Zhang, Hong; Miyamoto, Yoshiyuki

2014-01-01

Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

Mercury adsorption properties of sulfur-impregnated adsorbents

Science.gov (United States)

Hsi, N.-C.; Rood, M.J.; Rostam-Abadi, M.; Chen, S.; Chang, R.

2002-01-01

Carbonaceous and noncarbonaceous adsorbents were impregnated with elemental sulfur to evaluate the chemical and physical properties of the adsorbents and their equilibrium mercury adsorption capacities. Simulated coal combustion flue gas conditions were used to determine the equilibrium adsorption capacities for Hg0 and HgCl2 gases to better understand how to remove mercury from gas streams generated by coal-fired utility power plants. Sulfur was deposited onto the adsorbents by monolayer surface deposition or volume pore filling. Sulfur impregnation increased the total sulfur content and decreased the total and micropore surface areas and pore volumes for all of the adsorbents tested. Adsorbents with sufficient amounts of active adsorption sites and sufficient microporous structure had mercury adsorption capacities up to 4,509 ??g Hg/g adsorbent. Elemental sulfur, organic sulfur, and sulfate were formed on the adsorbents during sulfur impregnation. Correlations were established with R2>0.92 between the equilibrium Hg0/HgCl2 adsorption capacities and the mass concentrations of elemental and organic sulfur. This result indicates that elemental and organic sulfur are important active adsorption sites for Hg0 and HgCl2.

Surface Chirality of Gly-Pro Dipeptide Adsorbed on a Cu(110) Surface.

Science.gov (United States)

Cruguel, Hervé; Méthivier, Christophe; Pradier, Claire-Marie; Humblot, Vincent

2015-07-01

The adsorption of chiral Gly-Pro dipeptide on Cu(110) has been characterized by combining in situ polarization modulation infrared reflection absorption spectroscopy (PM-RAIRS) and X-ray photoelectron spectroscopy (XPS). The chemical state of the dipeptide, and its anchoring points and adsorption geometry, were determined at various coverage values. Gly-Pro molecules are present on Cu(110) in their anionic form (NH2 /COO(-)) and adsorb under a 3-point binding via both oxygen atoms of the carboxylate group and via the nitrogen atom of the amine group. Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) have shown the presence of an extended 2D chiral array, sustained via intermolecular H-bonds interactions. Furthermore, due to the particular shape of the molecule, only one homochiral domain is formed, creating thus a truly chiral surface. © 2015 Wiley Periodicals, Inc.

Effect of hydration of sugar groups on adsorption of Quillaja bark saponin at air/water and Si/water interfaces.

Science.gov (United States)

Wojciechowski, Kamil; Orczyk, Marta; Marcinkowski, Kuba; Kobiela, Tomasz; Trapp, Marcus; Gutberlet, Thomas; Geue, Thomas

2014-05-01

Adsorption of a natural glycoside surfactant Quillaja bark saponin ("QBS", Sigma Aldrich 84510) was studied at the air/water and Si/water interfaces using a combination of surface pressure (SP), surface dilatational rheology, neutron reflectivity (NR), Infra-Red Attenuated Total Reflection Spectroscopy (IR ATR) and Quartz Crystal Microbalance (QCM). The adsorbed layers formed at the air/water interface are predominantly elastic, with the dilatational surface storage modulus reaching the maximum value of E'=184 mN/m. The NR results point to a strong hydration of the adsorbed layers (about 65% hydration, corresponding to about 60 molecules of water per one QBS molecule), most likely related to the presence of multiple sugar groups constituting the glycone part of the QBS molecules. With a layer thickness of 19 Å, the adsorbed amount obtained from NR seems largely underestimated in comparison to the value obtained from the surface tension isotherm. While this high extent of hydration does not prevent formation of dense and highly elastic layers at the air-water surface, QBS adsorption at the Si/water interface is much weaker. The adsorption isotherm of QBS on Si obtained from the QCM study reflects much lower affinity of highly hydrated and negatively charged saponin molecules to the Si/water interface. We postulate that at the air/water interface, QBS adsorbs through the triterpene aglycone moiety. In contrast, weak hydrogen bonding between the glycone part and the surface silanol groups of Si is responsible for QBS adsorption on more polar Si/water interface. Copyright © 2014 Elsevier B.V. All rights reserved.

Water structure and aqueous uranyl(VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations.

Science.gov (United States)

Greathouse, Jeffery A; Cygan, Randall T

2006-06-15

Molecular dynamics simulations were performed to provide a systematic study of aqueous uranyl adsorption onto the external surface of 2:1 dioctahedral clays. Our understanding of this key process is critical in predicting the fate of radioactive contaminants in natural groundwaters. These simulations provide atomistic detail to help explain experimental trends in uranyl adsorption onto natural media containing smectite clays. Aqueous uranyl concentrations ranged from 0.027 to 0.162 M. Sodium ions and carbonate ions (0.027-0.243 M) were also present in the aqueous regions to more faithfully model a stream of uranyl-containing groundwater contacting a mineral system comprised of Na-smectite. No adsorption occurred near the pyrophyllite surface, and there was little difference in uranyl adsorption onto the beidellite and montmorillonite, despite the difference in location of clay layer charge between the two. At low uranyl concentration, the pentaaquouranyl complex dominates in solution and readily adsorbs to the clay basal plane. At higher uranyl (and carbonate) concentrations, the mono(carbonato) complex forms in solution, and uranyl adsorption decreases. Sodium adsorption onto beidellite occurred both as inner- and outer-sphere surface complexes, again with little effect on uranyl adsorption. Uranyl surface complexes consisted primarily of the pentaaquo cation (85%) and to a lesser extent the mono(carbonato) species (15%). Speciation diagrams of the aqueous region indicate that the mono(carbonato)uranyl complex is abundant at high ionic strength. Oligomeric uranyl complexes are observed at high ionic strength, particularly near the pyrophyllite and montmorillonite surfaces. Atomic density profiles of water oxygen and hydrogen atoms are nearly identical near the beidellite and montmorillonite surfaces. Water structure therefore appears to be governed by the presence of adsorbed ions and not by the location of layer charge associated with the substrate. The water

Surface-structure dependence of water-related adsorbates on platinum

NARCIS (Netherlands)

Badan, C.

2016-01-01

Today, the energy sector is highly dependent on heterogeneous catalysis because a future solution to end our dependency on natural sources lies in generating hydrogen by splitting water. Several transition metals, such as Pt, are known to be good catalyst materials for water splitting reactions.

Radionuclide transfer onto ground surface in surface water flow. 2. Undisturbed tuff rock

International Nuclear Information System (INIS)

Mukai, Masayuki; Takebe, Shinichi; Komiya, Tomokazu

1994-09-01

Radionuclide migration with ground surface water flow is considered to be one of path ways in the scenario for environmental migration of the radionuclide leaked from LLRW depository. To study the radionuclide migration demonstratively, a ground surface radionuclide migration test was carried out by simulating radioactive solution flowing on the sloped tuff rock surface. Tuff rock sample of 240 cm in length taken from the Shimokita district was used to test the transfer of 60 Co, 85 Sr and 137 Cs onto the sample surface from the flowing radioactive solution under restricted infiltration condition at flow rates of 25, 80, 160ml/min and duration of 56h. The concentration change of the radionuclides in effluent was nearly constant as a function of elapsed time during the experimental period, but decreased with lower flow rates. Among the three radionuclides, 137 Cs was greatly decreased its concentration to 30% of the inflow. Adsorbed distribution of the radionuclides concentration on the ground surface decreased gradually with the distance from the inlet, and showed greater gradient at lower flow rate. Analyzing the result by the migration model, where a vertical advection distribution and two-dimensional diffusion in surface water are adopted with a first order adsorption reaction, value of migration parameters was obtained relating to the radionuclide adsorption and the surface water flow, and the measured distribution could be well simulated by adopting the value to the model. By comparing the values with the case of loamy soil layer, all values of the migration parameters showed not so great difference between two samples for 60 Co and 85 Sr. For 137 Cs, reflecting a few larger value of adsorption to the tuff rock, larger ability to reduce the concentration of flowing radioactive solution could be indicated than that to the loamy soil surface by estimation for long flowed distance. (author)

Kinetics of the homogeneous exchange of alpha-lactalbumin adsorbed on titanium oxide surface.

Science.gov (United States)

Bentaleb, A; Haïkel, Y; Voegel, J C; Schaaf, P

1998-06-05

The homogeneous exchange process whereby alpha-lactalbumine molecules adsorbed on hydrophilic titanium oxide particles are replaced by alpha-lactalbumine molecules in solution has been investigated by means of a 125I radio-labeling technique, alpha-lactalbumine is a compact and highly negatively charged protein, making this study complementary to previous work devoted to the general understanding of the exchange mechanisms of adsorbed proteins on solid surfaces. The isotherm of alpha-lactalbumine exhibits bimodal adsorption shape, and the exchange process whereby adsorbed proteins are replaced by new incoming ones from the bulk solution has been studied at both the upper and the lower plateau of the isotherm. In the upper plateau the exchange process was found to be of first order with respect to the bulk molecules, and the release rate constant was equal to 0.914 L. mol-1.s-1. This behavior is identical to what has been observed with other proteinic systems. In the lower plateau domain, in contrast, the protein release process is independent of the concentration of proteins in the bulk, but the release rates are higher than the pure desorption rates. This constitutes, to our knowledge, a behavior that never before has been observed and that remains to be explained.

Volatile organic compounds adsorption using different types of adsorbent

Directory of Open Access Journals (Sweden)

Pimanmes Chanayotha

2014-09-01

Full Text Available Adsorbents were synthesized from coconut shell, coal and coke by pyrolysis followed by chemical activation process. These synthesized materials were used as adsorbents in adsorption test to determine the amount of volatile organic compounds (VOCs namely, 2-Hydroxyethyl methacrylate (HEMA, Octamethylcyclotetrasiloxane and Alkanes standard solution (C8-C20. The adsorption capacities of both synthesized adsorbents and commercial grade adsorbents (Carbotrap™ B and Carbotrap™ C were also compared. It was found that adsorbent A402, which was produced from coconut shell, activated with 40% (wt. potassium hydroxide and at activating temperature of 800°C for 1 hr, could adsorb higher amount of both HEMA and Octamethylcyclotetrasiloxane than other synthesized adsorbents. The maximum adsorption capacity of adsorbent A402 in adsorbing HEMA and Octamethylcyclotetrasiloxane were 77.87% and 50.82% respectively. These adsorption capabilities were 79.73% and 70.07% of the adsorption capacity of the commercial adsorbent Carbotrap™ B respectively. All three types of the synthesized adsorbent (A402, C302, C402 showed the capability to adsorb alkanes standard solution through the range of C8-C20 . However, their adsorption capacities were high in a specific range of C10-C11. The result from the isotherm plot was indicated that surface adsorption of synthesized adsorbent was isotherm type I while the surface adsorption of commercial adsorbent was isotherm type III.

Accelerator Analysis of Tributyltin Adsorbed onto the Surface of a Tributyltin Resistant Marine Pseudoalteromonas sp. Cell

OpenAIRE

Mimura, Haruo; Sato, Ryusei; Sasaki, Yu; Furuyama, Yuichi; Taniike, Akira; Yoshida, Kazutoshi; Kitamura, Akira

2008-01-01

Tributyltin (TBT) released into seawater from ship hulls is a stable marine pollutant and obviously remains in marine environments. We isolated a TBT resistant marine Pseudoalteromonas sp. TBT1 from sediment of a ship’s ballast water. The isolate (109.3 ± 0.2 colony-forming units mL-1) adsorbed TBT in proportion to the concentrations of TBTCl externally added up to 3 mM, where the number of TBT adsorbed by a single cell was estimated to be 108.2. The value was reduced to about one-fif...

Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge.

Science.gov (United States)

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-19

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm 2 , the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

Water-resistance of macromolecules adsorbed on CH3NH3PbI3 surfaces: A first-principles study

Science.gov (United States)

Chen, Po-Tuan; Yung, Tung-Yuan; Liu, Ting-Yu; Sher, Chin-Wei; Hayashi, Michitoshi

2017-10-01

Encapsulation within resin films is a promising approach for isolating perovskite materials from water. To gain fundamental insight into these systems, we performed first-principles calculations of macromolecule (polymerized siloxane; epoxy cured by phthalic anhydride; graphene sheet) coatings for the waterproofing of methylammonium lead iodide perovskite (MAPbI3) surfaces. Our calculations reveal that alternating attractive/resistant functional groups on the siloxane- or epoxy-modified MAPbI3 surfaces hinder the water diffusion process. Moreover, we examined a no-defect graphene sheet for its ability to isolate MAPbI3 from water molecules. The hydrophobicity of the graphene resulted in water molecules forming clusters, rather than dispersing, upon the sheet.

Removal of microcystin-LR from drinking water using a bamboo-based charcoal adsorbent modified with chitosan.

Science.gov (United States)

Zhang, Hangjun; Zhu, Guoying; Jia, Xiuying; Ding, Ying; Zhang, Mi; Gao, Qing; Hu, Ciming; Xu, Shuying

2011-01-01

A new kind of low-cost syntactic adsorbent from bamboo charcoal and chitosan was developed for the removal of microcystin-LR from drinking water. Removal efficiency was higher for the syntactic adsorbent when the amount of bamboo charcoal was increased. The optimum dose ratio of bamboo charcoal to chitosan was 6:4, and the optimum amount was 15 mg/L; equilibrium time was 6 hr. The adsorption isotherm was non-linear and could be simulated by the Freundlich model (R2 = 0.9337). Adsorption efficiency was strongly affected by pH and natural organic matter (NOM). Removal efficiency was 16% higher at pH 3 than at pH 9. Efficiency rate was reduced by 15% with 25 mg/L NOM (UV254 = 0.089 cm(-1)) in drinking water. This study demonstrated that the bamboo charcoal modified with chitosan can effectively remove microcystin-LR from drinking water.

Instability of confined water films between elastic surfaces.

Science.gov (United States)

de Beer, Sissi; 't Mannetje, Dieter; Zantema, Sietske; Mugele, Frieder

2010-03-02

We investigated the dynamics of nanometer thin water films at controlled ambient humidity adsorbed onto two atomically smooth mica sheets upon rapidly bringing the surfaces into contact. Using a surface forces apparatus (SFA) in imaging mode, we found that the water films break up into a distribution of drops with a typical thickness of a few nanometers and a characteristic lateral size and spacing of several micrometers. Whereas the characteristic length is found to be independent of the ambient humidity, the characteristic time of the breakup decreases from approximately 1 to 0.01 s with increasing humidity. The existence of characteristic length and time scales shows that this breakup is controlled by an instability rather than a conventional nucleation and growth mechanism for SFA experiments. These findings cannot be explained by a dispersion-driven instability mechanism. In contrast, a model involving the elastic energies for the deformation of both the mica sheets and the underlying glue layer correctly reproduces the scaling of the characteristic length and time with humidity.

Adsorption removal of hydrogen sulfide gas. IV. Characteristics of adsorbents for the adsorption removal of hydrogen sulfide gas

Energy Technology Data Exchange (ETDEWEB)

Boki, K

1974-10-25

The amount of hydrogen sulfide gas adsorbed was affected by the surface properties (surface pH, acid strength, acid amount, and basic amount), the surface structure (pore volume), and the surface form (scanning electron microscopic observation) of 32 tested adsorbents. In general, the amount adsorption increased in the following order, amount of H/sub 2/S adsorbed on the silicate adsorbents, on the active carbon adsorbents, and on the zeolite adsorbents. The amount of H/sub 2/S adsorbed on magnesium silicate and silica gel adsorbents was mainly affected by the surface structure, and the amount adsorbed on the aluminum silicate adsorbents was affected by the distinctions on the surface forms of the adsorbents. The amount of H/sub 2/S adsorbed on 10 kinds of active carbon was determined by the surface properties and the surface structures of the adsorbents. The amount adsorbed on 12 kinds of zeolites was determined by either the surface properties or by the surface structures of the adsorbents. The amount of H/sub 2/S adsorbed on the silicate, active carbon, and zeolite adsorbents interacted with the heat of adsorption, and among the same kinds of adsorbents, the amount adsorbed was linearly related to the heat of adsorption.

Shotgun proteomic analytical approach for studying proteins adsorbed onto liposome surface

KAUST Repository

Capriotti, Anna Laura

2011-07-02

The knowledge about the interaction between plasma proteins and nanocarriers employed for in vivo delivery is fundamental to understand their biodistribution. Protein adsorption onto nanoparticle surface (protein corona) is strongly affected by vector surface characteristics. In general, the primary interaction is thought to be electrostatic, thus surface charge of carrier is supposed to play a central role in protein adsorption. Because protein corona composition can be critical in modifying the interactive surface that is recognized by cells, characterizing its formation onto lipid particles may serve as a fundamental predictive model for the in vivo efficiency of a lipidic vector. In the present work, protein coronas adsorbed onto three differently charged cationic liposome formulations were compared by a shotgun proteomic approach based on nano-liquid chromatography-high-resolution mass spectrometry. About 130 proteins were identified in each corona, with only small differences between the different cationic liposome formulations. However, this study could be useful for the future controlled design of colloidal drug carriers and possibly in the controlled creation of biocompatible surfaces of other devices that come into contact with proteins into body fluids. © 2011 Springer-Verlag.

A novel fiber-based adsorbent technology

Energy Technology Data Exchange (ETDEWEB)

Reynolds, T.A. [Chemica Technologies, Inc., Bend, OR (United States)

1997-10-01

In this Phase I Small Business Innovation Research program, Chemica Technologies, Inc. is developing an economical, robust, fiber-based adsorbent technology for removal of heavy metals from contaminated water. The key innovation is the development of regenerable adsorbent fibers and adsorbent fiber cloths that have high capacity and selectivity for heavy metals and are chemically robust. The process has the potential for widespread use at DOE facilities, mining operations, and the chemical process industry.

Carbon 1s photoemission line analysis of C-based adsorbate on (111)In{sub 2}O{sub 3} surface: The influence of reducing and oxidizing conditions

Energy Technology Data Exchange (ETDEWEB)

Brinzari, V., E-mail: vbrinzari@mail.ru [State University of Moldova, Chisinau, str. Mateevich 60A, MD-2009, Republic of Moldova (Moldova, Republic of); Cho, B.K. [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of); Korotcenkov, G., E-mail: ghkoro@yahoo.com [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

2016-12-30

Highlights: • C 1s PE line of (111)In{sub 2}O{sub 3} layer after cleaning and gas probing in HV was studied. • C 1s line fine structure is formed by various residual C-based adsorbates. • Some C 1s line features were interpreted as CO adsorption and dissociation. • Redox properties of surface determine either adsorption or dissociation of CO. • Dissociation of CO on oxidized surface is responsible for acceptor-like effect. - Abstract: Synchrotron radiation photoemission study of C 1s line of (111) In{sub 2}O{sub 3} surface was carried out under HV (high vacuum) doses of oxygen, carbon monoxide and water. Gas interaction with the surface was activated by heating of In{sub 2}O{sub 3} monocrystalline film at temperatures of 160 or 250 °C. The study of complex structure of C 1 s line and evolution of its fine components allowed to establish their nature and to propose possible surface adsorbed species and reactions, including a direct chemisorption and dissociation of CO molecules. Reduction or oxidation of the surface determines whether the first (chemisorption) or the second (dissociation) process takes place. The latter is responsible for additional formation of ionosorbed oxygen. Both processes have not been previously reported for In{sub 2}O{sub 3} and for conductive metal oxides.

Atomic force microscopy measurements of topography and friction on dotriacontane films adsorbed on a SiO2 surface

DEFF Research Database (Denmark)

Trogisch, S.; Simpson, M.J.; Taub, H.

2005-01-01

We report comprehensive atomic force microscopy (AFM) measurements at room temperature of the nanoscale topography and lateral friction on the surface of thin solid films of an intermediate-length normal alkane, dotriacontane (n-C32H66), adsorbed onto a SiO2 surface. Our topographic and frictional...

Determination of Pb2+ metal ion level in liquid waste from adsorption process by combination adsorbent of rice husk and water hyacinth charcoal using solid-phase spectrophotometry (sps)

Science.gov (United States)

Saputro, S.; Masykuri, M.; Mahardiani, L.; Hidayah, AN

2018-03-01

This research are to find out the influence of adsorbent composition between rice husk and water hyacinth in decreasing of Pb2+ ion in simulation liquid waste; the optimumcomposition of combination adsorbent of rice husk and water hyacinth charcoal on Pb2+ ion adsorption; and theeffectivenessof SPS as a method to determine the decreasing level of Pb2+ ion in simulation liquid waste by combination adsorbent of rice husk and water hyacinth charcoal in µg/L level. Rice husk and water hyacinth carbonization using muffle furnace at 350°C for 1 hour. Rice husk charcoal activation in a 2 N NaOH solution and water hyacinth charcoal activated in a 5 M HCl solution. Contacting the combination adsorbent of rice husk and water hyacinth charcoal with a Pb2+ solution with variation of mass composition, 1:0 ; 0:1 ; 1:1 ; 1:2 and 2:1. Analysis of the Pb2+ ion level using SPS method. Characterization of rice husk and water hyacinth charcoal using the FTIR. The results showed that the combination adsorbent composition of rice husk and water hyacinth charcoal have an impact on decreasing Pb2+ ion level. The optimum composition of combination adsorbent of rice husk and water hyacinth charcoal on the adsorption Pb2+ ion is 1:2. SPS is an effective method to determine the decreasing Pb2+ ion in simulation liquid waste from the adsorption process by combination adsorbent of rice husk and water hyacinth in µg/L, with Limit of Detection (LOD) was 0,06 µg/L.

Waste-based alternative adsorbents for the remediation of pharmaceutical contaminated waters: Has a step forward already been taken?

Science.gov (United States)

Silva, Carla Patrícia; Jaria, Guilaine; Otero, Marta; Esteves, Valdemar I; Calisto, Vânia

2018-02-01

When adsorption is considered for water treatment, commercial activated carbon is usually the chosen adsorbent for the removal of pollutants from the aqueous phase, particularly pharmaceuticals. In order to decrease costs and save natural resources, attempts have been made to use wastes as raw materials for the production of alternative carbon adsorbents. This approach intends to increase efficiency, cost-effectiveness, and also to propose an alternative and sustainable way for the valorization/management of residues. This review aims to provide an overview on waste-based adsorbents used on pharmaceuticals' adsorption. Experimental facts related to the adsorption behaviour of each adsorbent/pharmaceutical pair and some key factors were addressed. Also, research gaps that subsist in this research area, as well as future needs, were identified. Simultaneously, this review aims to clarify the current status of the research on pharmaceuticals' adsorption by waste-based adsorbents in order to recognize if the right direction is being taken. Copyright © 2017 Elsevier Ltd. All rights reserved.

Influence of organic solvents on interfacial water at surfaces of silica gel and partially silylated fumed silica

Energy Technology Data Exchange (ETDEWEB)

Turov, V.V.; Gun' ko, V.M.; Tsapko, M.D.; Bogatyrev, V.M.; Skubiszewska-Zieba, J.; Leboda, R.; Ryczkowski, J

2004-05-15

The effects of organic solvents (dimethylsulfoxide-d{sub 6} (DMSO-d{sub 6}), chloroform-d, acetone-d{sub 6}, and acetonitrile-d{sub 3}) on the properties of interfacial water at surfaces of silica gel Si-40 and partially silylated fumed silica A-380 were studied by means of the {sup 1}H NMR spectroscopy with freezing-out of adsorbed water at 180water in silica gel pores in contrast to the bulk liquids. DMSO-d{sub 6} and chloroform-d affect the structure of the interfacial water weaker than acetone-d{sub 6} and acetonitrile-d{sub 3} at amounts of liquids greater than the pore volume. Acetone-d{sub 6} and acetonitrile-d{sub 3} can displace water from pores under this condition. The chemical shift of protons in water adsorbed on silica gel is 3.5-6.5 ppm, which corresponds to the formation of two to four hydrogen bonds per molecule. Water adsorbed on partially silylated fumed silica has two {sup 1}H NMR signals at 5 and 1.1-1.7 ppm related to different structures (droplets and small clusters) of the interfacial water.

Development and characterization of activated hydrochars from orange peels as potential adsorbents for emerging organic contaminants.

Science.gov (United States)

Fernandez, M E; Ledesma, B; Román, S; Bonelli, P R; Cukierman, A L

2015-05-01

Activated hydrochars obtained from the hydrothermal carbonization of orange peels (Citrus sinensis) followed by various thermochemical processing were assessed as adsorbents for emerging contaminants in water. Thermal activation under flows of CO2 or air as well as chemical activation with phosphoric acid were applied to the hydrochars. Their characteristics were analyzed and related to their ability to uptake three pharmaceuticals (diclofenac sodium, salicylic acid and flurbiprofen) considered as emerging contaminants. The hydrothermal carbonization and subsequent activations promoted substantial chemical transformations which affected the surface properties of the activated hydrochars; they exhibited specific surface areas ranging from 300 to ∼620 m(2)/g. Morphological characterization showed the development of coral-like microspheres dominating the surface of most hydrochars. Their ability to adsorb the three pharmaceuticals selected was found largely dependent on whether the molecules were ionized or in their neutral form and on the porosity developed by the new adsorbents. Copyright © 2015 Elsevier Ltd. All rights reserved.

A novel adsorbent obtained by inserting carbon nanotubes into cavities of diatomite and applications for organic dye elimination from contaminated water.

Science.gov (United States)

Yu, Hongwen; Fugetsu, Bunshi

2010-05-15

A novel approach is described for establishing adsorbents for elimination of water-soluble organic dyes by using multi-walled carbon nanotubes (MWCNTs) as the adsorptive sites. Agglomerates of MWCNTs were dispersed into individual tubes (dispersed-MWCNTs) using sodium n-dodecyl itaconate mixed with 3-(N,N-dimethylmyristylammonio)-propanesulfonate as the dispersants. The resultant dispersed-MWCNTs were inserted into cavities of diatomite to form composites of diatomite/MWCNTs. These composites were finally immobilized onto the cell walls of flexible polyurethane foams (PUF) through an in situ PUF formation process to produce the foam-like CNT-based adsorbent. Ethidium bromide, acridine orange, methylene blue, eosin B, and eosin Y were chosen to represent typical water-soluble organic dyes for studying the adsorptive capabilities of the foam-like CNT-based adsorbent. For comparisons, adsorptive experiments were also carried out by using agglomerates of the sole MWCNTs as adsorbents. The foam-like CNT-based adsorbents were found to have higher adsorptive capacities than the CNT agglomerates for all five dyes; in addition, they are macro-sized, durable, flexible, hydrophilic and easy to use. Adsorption isotherms plotted based on the Langmuir equation gave linear results, suggesting that the foam-like CNT-based adsorbent functioned in the Langmuir adsorption manner. The foam-like CNT-based adsorbents are reusable after regeneration with aqueous ethanol solution. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Formation and composition of adsorbates on hydrophobic carbon surfaces from aqueous laccase-maltodextrin mixture suspension

Energy Technology Data Exchange (ETDEWEB)

Corrales Ureña, Yendry Regina, E-mail: yendry386@hotmail.com [UNESP São Paulo State University, Av. Eng. Luiz Edmundo Carrijo Coube, 14-01, Bauru, São Paulo (Brazil); Fraunhofer Institute for Manufacturing Technology and Advanced Materials IFAM, Wiener Strasse 12, 28359 Bremen (Germany); Lisboa-Filho, Paulo Noronha [UNESP São Paulo State University, Av. Eng. Luiz Edmundo Carrijo Coube, 14-01, Bauru, São Paulo (Brazil); Szardenings, Michael [Fraunhofer Institute for Cell Therapy and Immunology IZI, Perlickstrasse 1, 04103 Leipzig (Germany); Gätjen, Linda; Noeske, Paul-Ludwig Michael; Rischka, Klaus [Fraunhofer Institute for Manufacturing Technology and Advanced Materials IFAM, Wiener Strasse 12, 28359 Bremen (Germany)

2016-11-01

Highlights: • Less than 10 nm layer formed on carbon based materials composed by laccase and maltodextrin. • Improvement of the wettability of carbon based materials. • A protein-polysaccharide biofilm layer formation at solid liquid interface. • Stable layers formed under buffer and water rinsing. - Abstract: A robust procedure for the surface bio-functionalization of carbon surfaces was developed. It consists on the modification of carbon materials in contact with an aqueous suspension of the enzyme laccase from Trametes versicolor and the lyophilization agent maltodextrin, with the pH value adjusted close to the isoelectric point of the enzyme. We report in-situ investigations applying Quartz Crystal Microbalance with Dissipation (QCM-D) for carbon-coated sensor surfaces and, moreover, ex-situ measurements with static contact angle measurements, X-ray Photoelectron Spectroscopy (XPS) and Scanning Force Microscopy (SFM) for smooth Highly Oriented Pyrolytic Graphite (HOPG) substrates, for contact times between the enzyme formulation and the carbon material surface ranging from 20 s to 24 h. QCM-D studies reveals the formation of rigid layer of biomaterial, a few nanometers thin, which shows a strongly improved wettability of the substrate surface upon contact angle measurements. Following spectroscopic characterization, these layers are composed of mixtures of laccase and maltodextrin. The formation of these adsorbates is attributed to attractive interactions between laccase, the maltodextrin-based lyophilization agent and the hydrophobic carbon surfaces; a short-term contact between the aqueous laccase mixture suspension and HOPG surfaces is shown to merely result in de-wetting patterns influencing the results of contact angle measurements. The new enzyme-based surface modification of carbon-based materials is suggested to be applicable for the improvement of not only the wettability of low energy substrate surfaces with fluid formulations like coatings

Competitive Adsorption between Nanoparticles and Surface Active Ions for the Oil-Water Interface.

Science.gov (United States)

Hua, Xiaoqing; Bevan, Michael A; Frechette, Joelle

2018-04-24

Nanoparticles (NPs) can add functionality (e.g., catalytic, optical, rheological) to an oil-water interface. Adsorption of ∼10 nm NPs can be reversible; however, the mechanisms for adsorption and its effects on surface pressure remain poorly understood. Here we demonstrate how the competitive reversible adsorption of NPs and surfactants at fluid interfaces can lead to independent control of both the adsorbed amount and surface pressure. In contrast to prior work, both species investigated (NPs and surfactants) interact reversibly with the interface and without the surface active species binding to NPs. Independent measurements of the adsorption and surface pressure isotherms allow determination of the equation of state (EOS) of the interface under conditions where the NPs and surfactants are both in dynamic equilibrium with the bulk phase. The adsorption and surface pressure measurements are performed with gold NPs of two different sizes (5 and 10 nm), at two pH values, and across a wide concentration range of surfactant (tetrapentylammonium, TPeA + ) and NPs. We show that free surface active ions compete with NPs for the interface and give rise to larger surface pressures upon the adsorption of NPs. Through a competitive adsorption model, we decouple the contributions of NPs wetting at the interface and their surface activity on the measured surface pressure. We also demonstrate reversible control of adsorbed amount via changes in the surfactant concentration or the aqueous phase pH.

Theoretical and experimental study of the vibrational excitations in ethane monolayers adsorbed on graphite (0001) surfaces

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; Taub, H.

1987-01-01

The collective vibrational excitations of two different crystalline monolayer phases of ethane (C2H6) adsorbed on the graphite (0001) surface have been investigated theoretically and experimentally. The monolayer phases studied are the commensurate 7/8 ×4 structure in which the ethane molecules lie...

Adsorption of Cr(VI) using silica-based adsorbent prepared by radiation-induced grafting

International Nuclear Information System (INIS)

Qiu Jingyi; Wang Ziyue; Li Huibo; Xu Ling; Peng Jing; Zhai Maolin; Yang Chao; Li Jiuqiang; Wei Genshuan

2009-01-01

Silica-based adsorbent was prepared by radiation-induced grafting of dimethylaminoethyl methacrylate (DMAEMA) onto the silanized silica followed by a protonation process. The FTIR spectra and XPS analysis proved that DMAEMA was grafted successfully onto the silica surface. The resultant adsorbent manifested a high ion exchange capacity (IEC) of ca. 1.30 mmol/g and the Cr(VI) adsorption behavior of the adsorbent was further investigated, revealing the recovery of Cr(VI) increased with the adsorbent feed and the equilibrium adsorption could be achieved within 40 min. The adsorption capacity, strongly depended on the pH of the solution, reached a maximum Cr(VI) uptake (ca. 68 mg/g) as the pH was in the range of 2.5-5.0. Furthermore, even in strong acidic (4.0 mol/L HNO 3 ) or alkaline media (pH 11.0), the adsorbent had a sound Cr(VI) uptake capacity (ca. 22 and 30 mg/g, respectively), and the adsorption followed Langmuir mode. The results indicated that this adsorbent, prepared via a convenient approach, is applicable for removing heavy-metal-ion pollutants (e.g. Cr(VI)) from waste waters.

Adsorption of β-galactosidase on silica and aluminosilicate adsorbents

Science.gov (United States)

Atyaksheva, L. F.; Dobryakova, I. V.; Pilipenko, O. S.

2015-03-01

It is shown that adsorption of β-galactosidase of Aspergillus oryzae fungi on mesoporous and biporous silica and aluminosilicate adsorbents and the rate of the process grow along with the diameter of the pores of the adsorbent. It is found that the shape of the adsorption isotherms changes as well, depending on the texture of the adsorbent: the Michaelis constant rises from 0.3 mM for the enzyme in solution to 0.4-0.5 mM for the enzyme on a surface in the hydrolysis of o-nitrophenyl-β-D-galactopyranoside. It is concluded that β-galactosidase displays its maximum activity on the surface of biporous adsorbents.

Algae form brominated organic compounds in surface waters

Energy Technology Data Exchange (ETDEWEB)

Huetteroth, A; Putschew, A; Jekel, M [Tech. Univ. Berlin (Germany)

2004-09-15

Monitoring of organic halogen compounds, measured as adsorbable organic bromine (AOBr) revealed seasonal high concentrations of organic bromine compounds in a surface water (Lake Tegel, Berlin, Germany). Usually, in late summer, concentrations are up to five times higher than during the rest of the year. The AOBr of the lake inflows (throughout the year less then 6 {mu}g/L) were always lower then those in the lake, which indicates a production of AOBr in the lake. A correlation of the AOBr and chlorophyll-a concentration (1) in the lake provides first evidence for the influence of phototrophic organisms. The knowledge of the natural production of organohalogens is relatively recent. Up to now there are more then 3800 identified natural organohalogen compounds that have been detected in marine plants, animals, and bacteria and also in terrestrial plants, fungi, lichen, bacteria, insects, some higher animals, and humans. Halogenated organic compounds are commonly considered to be of anthropogenic origin; derived from e.g. pharmaceuticals, herbicides, fungicides, insecticides, flame retardants, intermediates in organic synthesis and solvents. Additionally they are also produced as by-products during industrial processes and by waste water and drinking water disinfection. Organohalogen compounds may be toxic, persistent and/or carcinogenic. In order to understand the source and environmental relevance of naturally produced organobromine compounds in surface waters, the mechanism of the formation was investigated using batch tests with lake water and algae cultures.

Synthesis of low-cost adsorbent from rice bran for the removal of reactive dye based on the response surface methodology

Science.gov (United States)

Hong, Gui-Bing; Wang, Yi-Kai

2017-11-01

Rice bran is a major by-product of the rice milling industry and is abundant in Taiwan. This study proposed a simple method for modifying rice bran to make it a low-cost adsorbent to remove reactive blue 4 (RB4) from aqueous solutions. The effects of independent variables such as dye concentration (100-500 ppm), adsorbent dosage (20-120 mg) and temperature (30-60 °C) on the dye adsorption capacity of the modified rice bran adsorbent were investigated by using the response surface methodology (RSM). The results showed that the dye maximum adsorption capacity of the modified rice bran adsorbent was 151.3 mg g-1 with respect to a dye concentration of 500 ppm, adsorbent dosage of 65.36 mg, and temperature of 60 °C. The adsorption kinetics data followed the pseudo-second-order kinetic model, and the isotherm data fit the Langmuir isotherm model well. The maximum monolayer adsorption capacity was 178.57-185.19 mg g-1, which was comparable to that of other agricultural waste adsorbents used to remove RB4 from aqueous solutions in the literature. The thermodynamics analysis results indicated that the adsorption of RB4 onto the modified rice bran adsorbent is an endothermic, spontaneous monolayer adsorption that occurs through a physical process.

Roles of surface water areas for water and solute cycle in Hanoi city, Viet Nam

Science.gov (United States)

Hayashi, Takeshi; Kuroda, Keisuke; Do Thuan, An; Tran Thi Viet, Nga; Takizawa, Satoshi

2013-04-01

water of the pond sediments were much higher than the pond water and closed to that of groundwater. Also, other metal elements showed the same trend. This result suggested that Arsenic and other metal elements recharged to these ponds is probably adsorbed and removed by sediments (including organic matters). That is, pond sediment plays an important role for solute transport as a filter of Arsenic and metal elements. The results of this study strongly suggest that the natural and artificial surface water areas have important roles for water cycle and solute transport in Hanoi city. Although the number of the natural water areas is decreasing, dredging of artificial water areas increases the infiltration from the surface to aquifers. Therefore, qualitative and quantitative preservation of the surface water areas is important for conservation of groundwater environment and contribute to sustainable groundwater management in Hanoi city.

Membrane adsorber for endotoxin removal

Directory of Open Access Journals (Sweden)

Karina Moita de Almeida

Full Text Available ABSTRACT The surface of flat-sheet nylon membranes was modified using bisoxirane as the spacer and polyvinyl alcohol as the coating polymer. The amino acid histidine was explored as a ligand for endotoxins, aiming at its application for endotoxin removal from aqueous solutions. Characterization of the membrane adsorber, analysis of the depyrogenation procedures and the evaluation of endotoxin removal efficiency in static mode are discussed. Ligand density of the membranes was around 7 mg/g dry membrane, allowing removal of up to 65% of the endotoxins. The performance of the membrane adsorber prepared using nylon coated with polyvinyl alcohol and containing histidine as the ligand proved superior to other membrane adsorbers reported in the literature. The lack of endotoxin adsorption on nylon membranes without histidine confirmed that endotoxin removal was due to the presence of the ligand at the membrane surface. Modified membranes were highly stable, exhibiting a lifespan of approximately thirty months.

Zinc peroxide nanomaterial as an adsorbent for removal of Congo red dye from waste water.

Science.gov (United States)

Chawla, Sneha; Uppal, Himani; Yadav, Mohit; Bahadur, Nupur; Singh, Nahar

2017-01-01

In the past decade, various natural byproducts, advanced metal oxide composites and photocatalysts have been reported for removal of dyes from water. Although these materials are useful for select applications, they have some limitations such as use at fixed temperature, ultra violet (UV) light and the need for sophisticated experimental set up. These materials can remove dyes up to a certain extent but require long time. To overcome these limitations, a promising adsorbent zinc peroxide (ZnO 2 ) nanomaterial has been developed for the removal of Congo red (CR) dye from contaminated water. ZnO 2 is highly efficient even in the absence of sunlight to remove CR from contaminated water upto the permissible limits set by the World Health Organization (WHO) and the United States- Environmental Protection Agency (US-EPA). The adsorbent has a specific property to adjust the pH of the test solution within 6.5-7.5 range irrespective of acidic or basic nature of water. The adsorption capacity of the material for CR dye was 208mgg -1 within 10min at 2-10pH range. The proposed material could be useful for the industries involved in water purification. The removal of CR has been confirmed by spectroscopic and microscopic techniques. The adsorption data followed a second order kinetics and Freundlich isotherm. Copyright © 2016 Elsevier Inc. All rights reserved.

Comparision of Chitosan Function as Adsorbent for Nitrate Removal Using Synthetic Aqueous Solution and Drinking Water

Directory of Open Access Journals (Sweden)

Mohammad Norisepehr

2013-12-01

Full Text Available Background & Objectives: Nitrate and nitrite compounds pollution of groundwater resources in recent years which recently their mean concentration due to enhancement of different kind of municipal, industrial and agriculture waste water, were increased. The most common source of nitrates entering the water include chemical fertilizers and animal manure in agriculture, septic tank effluent, wastewater, wastewater treatment plants, animal and plant residue analysis on the ground of non-sanitary disposal of solid waste and the use of absorbing wells for sewage disposal. Materials and methods: This experimental study is applied to the nitrate removal using chitosan in laboratory scale at ambient temperature and the design of the system was Batch. Effects of parameters such as pH, contact time, initial concentration and adsorbent concentration of nitrate on nitrate removal from aqueous solution was studied. Results: Function of chitosan in synthetic aqueous solution and drinking water according to the slurry system results, the optimum condition was obtained at pH=4, 20 min contact time and increasing the initial concentration of nitrate enhance the adsorption capacity of chitosan. Also optimum dosage of adsorbent was obtained at 0.5 g/l. The data obtained from the experiments of adsorbent isotherm were analyzed using Langmuir and Freundlich isotherm models. The Langmuir equation was found to be the best fitness with the experimental data (R2>0.93. Conclusion: Although efficiency of Nitrate removal in synthetic aqueous solution was better than drinking water, adsorption process using chitosan as an option for the design and selection nitrate removal should be considered in order to achieve environmental standards.

Zirconium-based metal organic frameworks: Highly selective adsorbents for removal of phosphate from water and urine

Energy Technology Data Exchange (ETDEWEB)

Lin, Kun-Yi Andrew, E-mail: linky@nchu.edu.tw [Department of Environmental Engineering, National Chung Hsing University, 250 Kuo-Kuang Road, Taichung, Taiwan (China); Chen, Shen-Yi [Department of Environmental Engineering, National Chung Hsing University, 250 Kuo-Kuang Road, Taichung, Taiwan (China); Jochems, Andrew P. [New Mexico Bureau of Geology & Mineral Resources and New Mexico Institute of Mining & Technology, Socorro, NM (United States)

2015-06-15

Phosphate is one of the most concerning compounds in wastewater streams and a main nutrient that causes eutrophication. To eliminate the phosphate pollution, Metal Organic Frameworks (MOFs) are proposed in this study as adsorbents to remove phosphate from water. The zirconium-based MOF, UiO-66, was selected as representative MOF given its exceptional stability in water. To investigate the effect of an amine functional group, UiO-66-NH2 was also prepared using an amine-substituted ligand. The adsorption kinetics and isotherm reveal that UiO-66-NH2 exhibited higher adsorption capacities than UiO-66 possibly due to the amine group. However, the interaction between phosphate and zirconium sites of UiO MOFs might be the primary factor accounting for the phosphate adsorption to UiO MOFs. UiO MOFs also exhibited a high selectivity towards phosphate over other anions such as bromate, nitrite and nitrate. Furthermore, UiO MOFs were found to adsorb phosphate and to completely remove diluted phosphate in urine. We also found that UiO MOFs could be easily regenerated and re-used for phosphate adsorption. These findings suggest that UiO MOFs can be effective and selective adsorbents to remove phosphate from water as well as urine. - Highlights: • UiO-66 as the first type of MOFs was used to remove phosphate from water and urine. • The amine group in UiO MOFs was found to enhance the phosphate adsorption. • UiO-66 exhibited a high adsorption selectivity towards phosphate over other anions. • UiO-66 could be easily regenerated and re-used with 85% regeneration efficiency.

In situ investigation of the mechanisms of the transport to tissues of polycyclic aromatic hydrocarbons adsorbed onto the root surface of Kandelia obovata seedlings

International Nuclear Information System (INIS)

Li, Ruilong; Zhu, Yaxian; Zhang, Yong

2015-01-01

A novel method for in situ determination of the polycyclic aromatic hydrocarbons (PAHs) adsorbed onto the root surface of Kandelia obovata seedlings was established using laser-induced time-resolved nanosecond fluorescence spectroscopy (LITRF). The linear dynamic ranges for the established method were 1.5–1240 ng/spot for phenanthrene, 1.0–1360 ng/spot for pyrene and 5.0–1220 ng/spot for benzo[a]pyrene. Then, the mechanisms of PAHs transport from the Ko root surface to tissues were investigated. The three-phase model including fast, slow and very slow fractions was superior to the single or dual-phase model to describe the PAHs transport processes. Moreover, the fast fraction of PAHs transport process was mainly due to passive movement, while the slow and very slow fractions were not. Passive movement was the main process of B[a]P adsorbed onto Ko root surface transport to tissues. In addition, the extent of the PAHs transport to Ko root tissues at different salinity were evaluated. - Highlights: • A novel method in situ determination PAHs adsorbed onto root surface was established. • The mechanisms of PAHs transport from root surface to tissues are investigated. • Passive movement is the main process of B[a]P transport from root surface to tissues. • Effects of salinity on the PAHs transport from root surface to tissues are evaluated. - Passive movement for the PAHs adsorbed onto Kandelia obovata root surface to tissues was observed by a newly established in situ LITRF method

Adsorptivity of uranium by aluminium-activated carbon composite adsorbent

International Nuclear Information System (INIS)

Katoh, Shunsaku; Sugasaka, Kazuhiko; Fujii, Ayako; Takagi, Norio; Miyai, Yoshitaka

1976-01-01

To research the adsorption process of uranium from sea water by aluminium-activated carbon composite adsorbent (C-Al-OH), the authors examined the effects of temperature, pH and carbonate ion concentration of the solution upon the adsorption of uranium, using sodium chloride solution and natural sea water. The continued mixing of the solution for the duration of two to four hours was required to attain the apparent equilibrium of adsorption. The adsorption velocity at an early stage and the uptake of uranium at the final stage showed an increase in proportion to a rise in the adsorption temperature. In the experiment of adsorption for which sodium chloride solution was used, the linear relationship between the logarithm of the distribution coefficient (K sub(d)) and the pH of the solution was recognized. The uptake of the uranium from the solution at the pH of 12 increased as the carbonate ion concentration in the solution decreased. The uranyl ion in the natural sea water was assumed to be uranyl carbonate complex ion (UO 2 (CO 3 ) 3 4- ). As the result of the calculation conducted by using the formation constants for uranyl complexes in literature, it was found that uranyl hydroxo complex ion (UO 2 (OH) 3 - ) increased in line with a decrease of the carbonate ion concentration in the solution. The above results of the experiment suggested that the adsorption of uranium by the adsorbent (C-Al-OH) was cationic adsorption or hydrolysis adsorption being related with the active proton on the surface of the adsorbent. (auth.)

Generating Atomistic Slab Surfaces with Adsorbates

Science.gov (United States)

2017-12-01

slabs of various thickness and with various vacuum spacing need be calculated. This can occur in serial or simultaneously . If performed in serial, the...the user. Although the optimization of the slab thickness and vacuum padding can be done simultaneously , it is more computationally conservative to...monolayer is a slab (True if slab), the type of mesh desired (adsorbates.py was written for “Gamma”), how detailed the mesh should be (in units of inverse

Electrospinning onto Insulating Substrates by Controlling Surface Wettability and Humidity

Science.gov (United States)

Choi, WooSeok; Kim, Geon Hwee; Shin, Jung Hwal; Lim, Geunbae; An, Taechang

2017-11-01

We report a simple method for electrospinning polymers onto flexible, insulating substrates by controlling the wettability of the substrate surface. Water molecules were adsorbed onto the surface of a hydrophilic polymer substrate by increasing the local humidity around the substrate. The adsorbed water was used as the ground electrode for electrospinning. The electrospun fibers were deposited only onto hydrophilic areas of the substrate, allowing for patterning through wettability control. Direct writing of polymer fiber was also possible through near-field electrospinning onto a hydrophilic surface.

Polymer composite adsorbents using particles of molecularly imprinted polymers or aluminium oxide nanoparticles for treatment of arsenic contaminated waters.

Science.gov (United States)

Önnby, L; Pakade, V; Mattiasson, B; Kirsebom, H

2012-09-01

Removal of As(V) by adsorption from water solutions was studied using three different synthetic adsorbents. The adsorbents, (a) aluminium nanoparticles (Alu-NPs, polymers (polymer backbones of pure polyacrylamide (MIP-cryo) were of better stability than the amine containing polymer backbone (Alu-cryo). Both composites worked well in the studied pH range of pH 2-8. Adsorption tested in real wastewater spiked with arsenic showed that co-ions (nitrate, sulphate and phosphate) affected arsenic removal for Alu-cryo more than for MIP-cryo. Both composites still adsorbed well in the presence of counter-ions (copper and zinc) present at low concentrations (μg/l). The unchanged and selective adsorption in realistic water observed for MIP-cryo was concluded to be due to a successful imprinting, here controlled using a non-imprinted polymer (NIP). A development of MIP-cryo is needed, considering its low adsorption capacity. Copyright © 2012 Elsevier Ltd. All rights reserved.

Trace Cd(II, Pb(II and Ni(II ions extraction and preconcentration from different water samples by using Ghezeljeh montmorillonite nanoclay as a natural new adsorbent

Directory of Open Access Journals (Sweden)

Zahra hassanzadeh Siahpoosh

2017-01-01

Full Text Available This investigate presents the extraction-preconcentration of Lead, Cadmium, and Nickel ions from water samples using Ghezeljeh montmorillonite nanoclay or “Geleh-Sar-Shoor” (means head-washing clay as a natural and native new adsorbent in batch single element systems. The Ghezeljeh clay is categorized by using Fourier Transform Infrared Spectroscopy (FT-IR, Scanning Electron Microscopy-Energy Dispersive Spectrometer Operating (SEM-EDS, X-ray Diffractometry (XRD, X-ray Fluorescence (XRF, Cation Exchange Capacity (CEC measurements, Surface property valuation (SBET by the BET method from nitrogen adsorption isotherms and Zeta potential. According to BET theory, the specific surface area of Ghezeljeh nanoclay was computed as 19.8 m2 g-1 whereas the cation exchange capacity was determined as 150 meq (100 g-1. The results of XRD, FT-IR, XRF, zeta potential, BET surface area and CEC of the Ghezeljeh clay confirm that montmorillonite is the dominant mineral phase. Based on SEM images of clay, it can be seen that the distance between the plates is nm level. For all three ions, the limit of detection, the limit of quantification, dynamic linear range, preconcentration factor, and the adsorption capacity were obtained. The result of several interfering ions was considered. The Ghezeljeh nanoclay as a new adsorbent and experimental method were effectively used for the extraction of heavy metals (Lead, Cadmium, and Nickel in a variety of real water samples.

Nuclear magnetic resonance study of the structure of simple molecules adsorbed on metal surfaces: acetylene on platinum

International Nuclear Information System (INIS)

Wang, P.K.

1984-01-01

We have used NMR to determine the structure of acetylene (HC - CH) adsorbed at room temperature on small platinum particles by studying the 13 C- 13 C, 13 C- 1 H, and 1 H- 1 H dipolar interactions among the nuclei in the adsorbed molecules. We find a model of 77% CCH 2 and 23% HCCH to be the only one consistent with all of our data. The C-C bond length of the majority species, CCH 2 , is determined as 1.44 +- 0.02 A, midway between a single and double bond, suggesting that both carbon atoms bond to the surface. 36 references, 29 figures, 1 table

Activated carbon oxygen content influence on water and surfactant adsorption.

Science.gov (United States)

Pendleton, Phillip; Wu, Sophie Hua; Badalyan, Alexander

2002-02-15

This research investigates the adsorption properties of three activated carbons (AC) derived from coconut, coal, and wood origin. Each carbon demonstrates different levels of resistance to 2 M NaOH treatment. The coconut AC offers the greatest and wood AC the least resistance. The influence of base treatment is mapped in terms of its effects on specific surface area, micropore volume, water adsorption, and dodecanoic acid adsorption from both water and 2 M NaOH solution. A linear relationship exists between the number of water molecules adsorbed at the B-point of the water adsorption isotherm and the oxygen content determined from elemental analysis. Surfactant adsorption isotherms from water and 2 M NaOH indicate that the AC oxygen content effects a greater dependence on affinity for surfactant than specific surface area and micropore volume. We show a linear relationship between the plateau amount of surfactant adsorbed and the AC oxygen content in both water and NaOH phases. The higher the AC oxygen content, the lower the amount of surfactant adsorbed. In contrast, no obvious relationship could be drawn between the surfactant amount adsorbed and the surface area.

The adsorption and dissociation of water molecule on goethite (010) surface: A DFT approach

Energy Technology Data Exchange (ETDEWEB)

Zhou, Long, E-mail: shuweixia@ouc.edu.cn [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Xiu, Fangyuan [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China); Qiu, Meng [Qingdao Institute of Bioenergy and Bioprocess Technology (China); Xia, Shuwei; Yu, Liangmin [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering (China)

2017-01-15

Graphical abstract: The optimized structure of hydrated goethite (010) surface with medium water coverage (water density about 6.7 H{sub 2}O/nm{sup 2}). - Highlights: • Stable adsorption and dissociation structure of H{sub 2}O on goethite (010) surface was investigated by DFT. • Reasonable path for water dissociation was proposed by transitional state analysis. • The mechanism of water adsorption on goethite and binding nature were revealed by PDOS. - Abstract: Using density functional theory (DFT) calculation, we investigate the configuration, stability and electronic properties of fresh cleaved (010) goethite surface (Pnma) and this surface exposed to water monolayer at low, medium and high coverage. Water is predicted to be chemisorbed to the surface, together with the surface reconstruction. The interaction energy of the most stable configuration of both low and medium coverage per water molecule is almost the same (−1.17 eV), while that of high coverage is much lower (less than 1.03 eV). It indicates that highly hydrated surface is less stable. PDOS analysis reveals the adsorption of H{sub 2}O is due to the formation of Fe−O bond, caused by overlapping of Fe's 3d and O's 2p orbitals. Dissociation processes at low and medium water coverage are non-spontaneous; while at high coverage, it can undertake spontaneously both thermodynamically and dynamically. The dissociation paths of all three water coverage are the similar. The proton from one adsorbed water is likely to dissociate to bind to the vicinal surface μ{sub 3}−O as an intermediate product; the proton belonged to μ{sub 3}−O transferred to the neighbor surface μ{sub 2}−O as the dissociative configuration.

Anomalous water expulsion from carbon-based rods at high humidity

Science.gov (United States)

Nune, Satish K.; Lao, David B.; Heldebrant, David J.; Liu, Jian; Olszta, Matthew J.; Kukkadapu, Ravi K.; Gordon, Lyle M.; Nandasiri, Manjula I.; Whyatt, Greg; Clayton, Chris; Gotthold, David W.; Engelhard, Mark H.; Schaef, Herbert T.

2016-09-01

Three water adsorption-desorption mechanisms are common in inorganic materials: chemisorption, which can lead to the modification of the first coordination sphere; simple adsorption, which is reversible; and condensation, which is irreversible. Regardless of the sorption mechanism, all known materials exhibit an isotherm in which the quantity of water adsorbed increases with an increase in relative humidity. Here, we show that carbon-based rods can adsorb water at low humidity and spontaneously expel about half of the adsorbed water when the relative humidity exceeds a 50-80% threshold. The water expulsion is reversible, and is attributed to the interfacial forces between the confined rod surfaces. At wide rod spacings, a monolayer of water can form on the surface of the carbon-based rods, which subsequently leads to condensation in the confined space between adjacent rods. As the relative humidity increases, adjacent rods (confining surfaces) in the bundles are drawn closer together via capillary forces. At high relative humidity, and once the size of the confining surfaces has decreased to a critical length, a surface-induced evaporation phenomenon known as solvent cavitation occurs and water that had condensed inside the confined area is released as a vapour.

Process for producing zeolite adsorbent and process for treating radioactive liquid waste with the zeolite adsorbent

International Nuclear Information System (INIS)

Motojima, K.; Kawamura, F.

1984-01-01

Zeolite is contacted with an aqueous solution containing at least one of copper, nickel, cobalt, manganese and zinc salts, preferably copper and nickel salts, particularly preferably copper salt, in such a form as sulfate, nitrate, or chloride, thereby adsorbing the metal on the zeolite in its pores by ion exchange, then the zeolite is treated with a water-soluble ferrocyanide compound, for example, potassium ferrocyanide, thereby forming metal ferrocyanide on the zeolite in its pores. Then, the zeolite is subjected to ageing treatment, thereby producing a zeolite adsorbent impregnated with metal ferrocyanide in the pores of zeolite. The adsorbent can selectively recover cesium with a high percent cesium removal from a radioactive liquid waste containing at least radioactive cesium, for example, a radioactive liquid waste containing cesium and such coexisting ions as sodium, magnesium, calcium and carbonate ions at the same time at a high concentration. The zeolite adsorbent has a stable adsorbability for a prolonged time

High resolution spectroscopy on adsorbed molecules on a Ni (110)-surface: vibrational states and electronic levels

International Nuclear Information System (INIS)

Kardinal, I.

1998-01-01

The complementary techniques of HR-XPS and HREELS have been applied to two distinct problems. The first studies adsorption and dissociation of C 2 N 2 on Ni (110) at room temperature (RT) and at 90 K and its co-adsorption with CO. At RT C 2 N 2 dissociates and forms a c(2x2)-CN structure. The resulting CN is found to be bound in the grooves of the (110) surface yielding the lowest C-N vibrational energy yet observed. C 2 N 2 was found to dissociate even at 90 K however the resulting CN overlayer after warming to RT showed remarkable differences to that of the RT adsorption. As well as the in-groove species a number of adsorption sites on the ridges with a bond order higher have been identified. Preadsorbed CO is completely driven of the Ni (110) surface by co-adsorption of CN at RT. HREELS indicates that first CO is desorbed from the on-top-sites and then from the bridge-sites of the (110)-ridges involving a considerable increase of the HREELS cross section for the CO on the bridge-sites. Also the signal intensity of the coadsorbed CN is suppressed by the CO present on the surface. The second study investigated the adsorption of bithiophene (BiT) on clean Ni (110) and the S-modified c(2x2)-S-Ni (110) and p(4x1)-S-Ni (110). The latter provided a strongly structured substrate which forced the assembly of the adsorbed BiT-molecules. The high degree of order of this adsorbate/substrate system was obvious in both the HR-XPS results and the BREELS results with strong azimuthal anisotropy. This system was used to asses the ability to use the HREELS impact selection rules to determine molecular orientation of a reasonably complex adsorbate overlayer. (author)

Recent Approaches to Modeling Transport of Mercury in Surface Water and Groundwater - Case Study in Upper East Fork Poplar Creek, Oak Ridge, TN - 13349

International Nuclear Information System (INIS)

Bostick, Kent; Daniel, Anamary; Tachiev, Georgio; Malek-Mohammadi, Siamak

2013-01-01

In this case study, groundwater/surface water modeling was used to determine efficacy of stabilization in place with hydrologic isolation for remediation of mercury contaminated areas in the Upper East Fork Poplar Creek (UEFPC) Watershed in Oak Ridge, TN. The modeling simulates the potential for mercury in soil to contaminate groundwater above industrial use risk standards and to contribute to surface water contamination. The modeling approach is unique in that it couples watershed hydrology with the total mercury transport and provides a tool for analysis of changes in mercury load related to daily precipitation, evaporation, and runoff from storms. The model also allows for simulation of colloidal transport of total mercury in surface water. Previous models for the watershed only simulated average yearly conditions and dissolved concentrations that are not sufficient for predicting mercury flux under variable flow conditions that control colloidal transport of mercury in the watershed. The transport of mercury from groundwater to surface water from mercury sources identified from information in the Oak Ridge Environmental Information System was simulated using a watershed scale model calibrated to match observed daily creek flow, total suspended solids and mercury fluxes. Mercury sources at the former Building 81-10 area, where mercury was previously retorted, were modeled using a telescopic refined mesh with boundary conditions extracted from the watershed model. Modeling on a watershed scale indicated that only source excavation for soils/sediment in the vicinity of UEFPC had any effect on mercury flux in surface water. The simulations showed that colloidal transport contributed 85 percent of the total mercury flux leaving the UEFPC watershed under high flow conditions. Simulation of dissolved mercury transport from liquid elemental mercury and adsorbed sources in soil at former Building 81-10 indicated that dissolved concentrations are orders of magnitude

Recent Approaches to Modeling Transport of Mercury in Surface Water and Groundwater - Case Study in Upper East Fork Poplar Creek, Oak Ridge, TN - 13349

Energy Technology Data Exchange (ETDEWEB)

Bostick, Kent; Daniel, Anamary [Professional Project Services, Inc., Bethel Valley Road, Oak Ridge, TN, 37922 (United States); Tachiev, Georgio [Florida International University, Applied Research Center 10555 W. Flagler St., EC 2100 Miami Florida 33174 (United States); Malek-Mohammadi, Siamak [Bradley University, 413A Jobst Hall, Preoria, IL 61625 (United States)

2013-07-01

In this case study, groundwater/surface water modeling was used to determine efficacy of stabilization in place with hydrologic isolation for remediation of mercury contaminated areas in the Upper East Fork Poplar Creek (UEFPC) Watershed in Oak Ridge, TN. The modeling simulates the potential for mercury in soil to contaminate groundwater above industrial use risk standards and to contribute to surface water contamination. The modeling approach is unique in that it couples watershed hydrology with the total mercury transport and provides a tool for analysis of changes in mercury load related to daily precipitation, evaporation, and runoff from storms. The model also allows for simulation of colloidal transport of total mercury in surface water. Previous models for the watershed only simulated average yearly conditions and dissolved concentrations that are not sufficient for predicting mercury flux under variable flow conditions that control colloidal transport of mercury in the watershed. The transport of mercury from groundwater to surface water from mercury sources identified from information in the Oak Ridge Environmental Information System was simulated using a watershed scale model calibrated to match observed daily creek flow, total suspended solids and mercury fluxes. Mercury sources at the former Building 81-10 area, where mercury was previously retorted, were modeled using a telescopic refined mesh with boundary conditions extracted from the watershed model. Modeling on a watershed scale indicated that only source excavation for soils/sediment in the vicinity of UEFPC had any effect on mercury flux in surface water. The simulations showed that colloidal transport contributed 85 percent of the total mercury flux leaving the UEFPC watershed under high flow conditions. Simulation of dissolved mercury transport from liquid elemental mercury and adsorbed sources in soil at former Building 81-10 indicated that dissolved concentrations are orders of magnitude

Mixed functional monomers-based monolithic adsorbent for the effective extraction of sulfonylurea herbicides in water and soil samples.

Science.gov (United States)

Pei, Miao; Zhu, Xiangyu; Huang, Xiaojia

2018-01-05

Effective extraction is a key step in the determination of sulfonylurea herbicides (SUHs) in complicated samples. According to the chemical properties of SUHs, a new monolithic adsorbent utilizing acrylamidophenylboronic acid and vinylimidazole as mixed functional monomers was synthesized. The new adsorbent was employed as the extraction phase of multiple monolithic fiber solid-phase microextraction (MMF-SPME) of SUHs, and the extracted SUHs were determined by high-performance liquid chromatography with diode array detection (HPLC-DAD). Results well evidence that the prepared adsorbent could extract SUHs in environmental waters and soil effectively through multiply interactions such as boronate affinity, dipole-dipole and π-π interactions. Under the optimized extraction conditions, the limits of detection for target SUHs in environmental water and soil samples were 0.018-0.17μg/L and 0.14-1.23μg/kg, respectively. At the same time, the developed method also displayed some analytical merits including wide linear dynamic ranges, good method reproducibility, satisfactory sensitivity and low consume of organic solvent. Finally, the developed were successfully applied to monitor trace SUHs in environmental water and soil samples. The recoveries at three fortified concentrations were in the range of 70.6-119% with RSD below 11% in all cases. The obtained results well demonstrate the excellent practical applicability of the developed MMF-SPME-HPLC-DAD method for the monitoring of SUHs in water and soil samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Sol-Gel Derived Adsorbents with Enzymatic and Complexonate Functions for Complex Water Remediation

Directory of Open Access Journals (Sweden)

Roman P. Pogorilyi

2017-09-01

Full Text Available Sol-gel technology is a versatile tool for preparation of complex silica-based materials with targeting functions for use as adsorbents in water purification. Most efficient removal of organic pollutants is achieved by using enzymatic reagents grafted on nano-carriers. However, enzymes are easily deactivated in the presence of heavy metal cations. In this work, we avoided inactivation of immobilized urease by Cu (II and Cd (II ions using magnetic nanoparticles provided with additional complexonate (diethylene triamine pentaacetic acid or DTPA functions. Obtained nanomaterials were characterized by Fourier transform infrared spectroscopy (FTIR, thermogravimetric analysis (TGA, and scanning electron microscopy (SEM. According to TGA, the obtained Fe3O4/SiO2-NH2-DTPA nanoadsorbents contained up to 0.401 mmol/g of DTPA groups. In the concentration range Ceq = 0–50 mmol/L, maximum adsorption capacities towards Cu (II and Cd (II ions were 1.1 mmol/g and 1.7 mmol/g, respectively. Langmuir adsorption model fits experimental data in concentration range Ceq = 0–10 mmol/L. The adsorption mechanisms have been evaluated for both of cations. Crosslinking of 5 wt % of immobilized urease with glutaraldehyde prevented the loss of the enzyme in repeated use of the adsorbent and improved the stability of the enzymatic function leading to unchanged activity in at least 18 cycles. Crosslinking of 10 wt % urease on the surface of the particles allowed a decrease in urea concentration in 20 mmol/L model solutions to 2 mmol/L in up to 10 consequent decomposition cycles. Due to the presence of DTPA groups, Cu2+ ions in concentration 1 µmol/L did not significantly affect the urease activity. Obtained magnetic Fe3O4/SiO2-NH2-DTPA-Urease nanocomposite sorbents revealed a high potential for urease decomposition, even in presence of heavy metal ions.

Borax cross-linked guar gum hydrogels as potential adsorbents for water purification.

Science.gov (United States)

Thombare, Nandkishore; Jha, Usha; Mishra, Sumit; Siddiqui, M Z

2017-07-15

With the aim to explore new adsorbents for water purification, guar gum based hydrogels were synthesized by cross-linking with borax at different percentage. The cross-linking was confirmed through characterization by FTIR spectroscopy, SEM morphology, thermal studies and water absorption capacity. To examine the adsorption/absorption performance of different grades of hydrogels, their flocculation efficiency was studied in kaolin suspension at different pH by standard jar test procedure. The flocculation efficiency of the test materials was compared with the commercially used coagulant, alum and also residues of Al and K left in the treated water were comparatively studied. The synthesized hydrogels were also tested for their efficiency of removing Aniline Blue dye by UV-vis spectrophotometer study. The best grade hydrogel outperformed alum, at extremely low concentration and also showed dye removing efficiency up to 94%. The single step synthesized green products thus exhibited great potential as water purifying agents. Copyright © 2017 Elsevier Ltd. All rights reserved.

Milestone Report - Complete New Adsorbent Materials for Marine Testing to Demonstrate 4.5 g-U/kg Adsorbent

Energy Technology Data Exchange (ETDEWEB)

Janke, Christopher James [ORNL; Das, Sadananda [ORNL; Oyola, Yatsandra [ORNL; Mayes, Richard T. [ORNL; Saito, Tomonori [ORNL; Brown, Suree [ORNL; Gill, Gary [PNNL; Kuo, Li-Jung [PNNL; Wood, Jordana [PNNL

2014-08-01

This report describes work on the successful completion of Milestone M2FT-14OR03100115 (8/20/2014) entitled, “Complete new adsorbent materials for marine testing to demonstrate 4.5 g-U/kg adsorbent”. This effort is part of the Seawater Uranium Recovery Program, sponsored by the U.S. Department of Energy, Office of Nuclear Energy, and involved the development of new adsorbent materials at the Oak Ridge National Laboratory (ORNL) and marine testing at the Pacific Northwest National Laboratory (PNNL). ORNL has recently developed two new families of fiber adsorbents that have demonstrated uranium adsorption capacities greater than 4.5 g-U/kg adsorbent after marine testing at PNNL. One adsorbent was synthesized by radiation-induced graft polymerization of itaconic acid and acrylonitrile onto high surface area polyethylene fibers followed by amidoximation and base conditioning. This fiber showed a capacity of 4.6 g-U/kg adsorbent in marine testing at PNNL. The second adsorbent was prepared by atom-transfer radical polymerization of t-butyl acrylate and acrylonitrile onto halide-functionalized round fibers followed by amidoximation and base hydrolysis. This fiber demonstrated uranium adsorption capacity of 5.4 g-U/kg adsorbent in marine testing at PNNL.

Structural and shear characteristics of adsorbed sodium caseinate and monoglyceride mixed monolayers at the air-water interface.

Science.gov (United States)

Rodríguez Patino, Juan M; Cejudo Fernández, Marta; Carrera Sánchez, Cecilio; Rodríguez Niño, Ma Rosario

2007-09-01

The structural and shear characteristics of mixed monolayers formed by an adsorbed Na-caseinate film and a spread monoglyceride (monopalmitin or monoolein) on the previously adsorbed protein film have been analyzed. Measurements of the surface pressure (pi)-area (A) isotherm and surface shear viscosity (eta(s)) were obtained at 20 degrees C and at pH 7 in a modified Wilhelmy-type film balance. The structural and shear characteristics of the mixed films depend on the surface pressure and on the composition of the mixed film. At surface pressures lower than the equilibrium surface pressure of Na-caseinate (at picaseinate and monoglyceride coexist at the interface, with a structural polymorphism or a liquid expanded structure due to the presence of monopalmitin or monoolein in the mixture, respectively. At higher surface pressures, collapsed Na-caseinate residues may be displaced from the interface by monoglyceride molecules. For a Na-caseinate-monopalmitin mixed film the eta(s) value varies greatly with the surface pressure (or surface density) of the mixed monolayer at the interface. In general, the greater the surface pressure, the greater are the values of eta(s). However, the values of eta(s) for a Na-caseinate-monoolein mixed monolayer are very low and practically do not depend on the surface pressure. The collapsed Na-caseinate residues displaced from the interface by monoglyceride molecules at pi>pi(e)(CS) have important repercussions on the shear characteristics of the mixed films.

Self-interacting polymer chains terminally anchored to adsorbing surfaces of three-dimensional fractal lattices

Science.gov (United States)

Živić, I.; Elezović-Hadžić, S.; Milošević, S.

2018-01-01

We have studied the adsorption problem of self-attracting linear polymers, modeled by self-avoiding walks (SAWs), situated on three-dimensional fractal structures, exemplified by 3d Sierpinski gasket (SG) family of fractals as containers of a poor solvent. Members of SG family are enumerated by an integer b (b ≥ 2), and it is assumed that one side of each SG fractal is an impenetrable adsorbing surface. We calculate the critical exponents γ1 ,γ11, and γs, which are related to the numbers of all possible SAWs with one, both, and no ends anchored to the adsorbing boundary, respectively. By applying the exact renormalization group (RG) method (for the first three members of the SG fractal family, b = 2 , 3, and 4), we have obtained specific values of these exponents, for θ-chain and globular polymer phase. We discuss their mutual relations and relations with corresponding values pertinent to extended polymer chain phase.

Development of novel nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric.

Science.gov (United States)

Bondar, Yuliia; Kuzenko, Svetlana; Han, Do-Hung; Cho, Hyun-Kug

2014-01-01

A nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric was synthesized for selective removal of Cs ions from contaminated waters by a two-stage synthesis: radiation-induced graft polymerization of acrylic acid monomer onto the nonwoven polypropylene fabric surface with subsequent in situ formation of potassium nickel hexacyanoferrate (KNiHCF) nanoparticles within the grafted chains. Data of scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy confirmed the formation of KNiHCF homogeneous phase on the fabric surface, which consisted of crystalline cubic-shaped nanoparticles (70 to 100 nm). The efficiency of the synthesized adsorbent for removal of cesium ions was evaluated under various experimental conditions. It has demonstrated a rapid adsorption process, high adsorption capacity over a wide pH range, and selectivity in Cs ion removal from model solutions with high concentration of sodium ions.

Development and characterization of nifedipine-amino methacrylate copolymer solid dispersion powders with various adsorbents

Directory of Open Access Journals (Sweden)

Yotsanan Weerapol

2017-07-01

Full Text Available Solid dispersions of nifedipine (NDP, a poorly water-soluble drug, and amino methacrylate copolymer (AMCP with aid of adsorbent, that is, fumed silica, talcum, calcium carbonate, titanium dioxide, and mesoporous silica from rice husks (SRH, were prepared by solvent method. The physicochemical properties of solid dispersions, compared to their physical mixtures, were determined using powder X-ray diffractometry (PXRD and differential scanning calorimetry (DSC. The surface morphology of the prepared solid dispersions was examined by scanning electron microscopy (SEM. The dissolution of NDP from solid dispersions was compared to NDP powders. The effect of adsorbent type on NDP dissolution was also examined. The dissolution of NDP increased with the ratio of NDP:AMCP:adsorbent of 1:4:1 when compared to the other formulations. As indicated from PXRD patterns, DSC thermograms and SEM images, NDP was molecularly dispersed within polymer carrier or in an amorphous form, which confirmed the better dissolution of solid dispersions. Solid dispersions containing SRH provided the highest NDP dissolution, due to a porous nature of SRH, allowing dissolved drug to fill in the pores and consequently dissolve in the medium. The results suggested that solid dispersions containing adsorbents (SRH in particular demonstrated improved dissolution of poorly water-soluble drug when compared to NDP powder.

Amorphous boron-doped sodium titanates hydrates: Efficient and reusable adsorbents for the removal of Pb{sup 2+} from water

Energy Technology Data Exchange (ETDEWEB)

Di Bitonto, Luigi; Volpe, Angela; Pagano, Michele; Bagnuolo, Giuseppe; Mascolo, Giuseppe [CNR-IRSA, Via de Blasio 5, 70132 Bari (Italy); La Parola, Valeria [CNR-ISMN, Via U. La Malfa, 153, 90146 Palermo (Italy); Di Leo, Paola [CNR-IMAA, Via S. Loja, Tito Scalo (PZ) (Italy); Pastore, Carlo, E-mail: carlo.pastore@ba.irsa.cnr.it [CNR-IRSA, Via de Blasio 5, 70132 Bari (Italy)

2017-02-15

Highlights: • Amorphous B-doped sodium titanates hydrates were mildly synthesized. • These compounds resulted efficiently used in removing Pb{sup 2+} from natural water. • Adsorption occurs with a partial ionic exchange mechanism. • Adsorbents were easily recoverable and reusable for further new cycles. - Abstract: Amorphous titanium hydroxide and boron-doped (B-doped) sodium titanates hydrates were synthetized and used as adsorbents for the removal of Pb{sup 2+} from water. The use of sodium borohydride (NaBH{sub 4}) and titanium(IV) isopropoxide (TTIP) as precursors permits a very easy synthesis of B-doped adsorbents at 298 K. The new adsorbent materials were first chemically characterized (XRD, XPS, SEM, DRIFT and elemental analysis) and then tested in Pb{sup 2+} adsorption batch experiments, in order to define kinetics and equilibrium studies. The nature of interaction between such sorbent materials and Pb{sup 2+} was also well defined: besides a pure adsorption due to hydroxyl interaction functionalities, there is also an ionic exchange between Pb{sup 2+} and sodium ions even working at pH 4.4. Langmuir model presented the best fitting with a maximum adsorption capacity up to 385 mg/g. The effect of solution pH and common ions (i.e. Na{sup +}, Ca{sup 2+} and Mg{sup 2+}) onto Pb{sup 2+} sorption were also investigated. Finally, recovery was positively conducted using EDTA. Very efficient adsorption (>99.9%) was verified even using tap water spiked with traces of Pb{sup 2+} (50 ppb).

Properties and selection criteria for adsorbents

International Nuclear Information System (INIS)

Wirth, H.

1976-01-01

The paper gives a survey of the most important industrial adsorbents and of their suitability for different purposes. With special consideration of activated carbon, the properties and characteristic data are discussed which are used for assessing adsorbents. These, among other things, are as follows: specific surface area, pore size distribution, adsorption isotherms, hydrophobic properties, catalytic properties, chemical resistance, heat resistance, particle size and hardness. (orig.) [de

Adsorption and decomposition of H{sub 2}O on cobalt surfaces: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Ma, F.F.; Ma, S.H., E-mail: msh8586@163.com; Jiao, Z.Y.; Dai, X.Q.

2016-10-30

Highlights: • Molecular water weakly binds to Co surfaces and it is feasible to desorption from the clean surfaces. • The presence of atomic oxygen has a prominent promotion effect on the dissociation of water into hydroxyl, especially on O-covered Co(110) no extra energy is needed to dissociate H{sub 2}O. • Distinctively, the presence of hydroxyl hinders the dissociation of water molecule. • The analysis of microscopic decomposition behaviors demonstrates that molecular water adsorbs dissociatively with the aid of pre-adsorbed oxygen atom, forming OH radicals chemisorbed on the considered surfaces. - Abstract: Water adsorption and dissociation on clean and O-covered Co(100), Co(110) and Co(111) surfaces are studied using the density functional theory calculations. The results indicate that molecular water weakly binds to the surfaces and is feasible to desorption from the clean surfaces. Moreover, the pre-adsorption of O atom increases the binding of water to the surfaces, and prominently decreases the activation barriers of water dissociation into OH, especially on Co(110) surface. In contrast, the activation barrier for OH dissociation is slightly affected in the presence of O atom. Overall, this study reveals that O-assisted H{sub 2}O favorably adsorbs dissociatively, forming OH chemisorbed on the surfaces, which further hinders H{sub 2}O dissociation, and also illustrates the fact that molecular water dissociation is structure-sensitive on metal surfaces.

Effect of nitrogen doping on titanium carbonitride-derived adsorbents used for arsenic removal

Energy Technology Data Exchange (ETDEWEB)

Han, Jisun [Department of Materials Science and Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Soonjae [Center for Water Resource Cycle Research, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Choi, Keunsu [Computational Science Research Center, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Kim, Jinhong [Samsung Electronics Co.Ltd.,(Maetan dong) 129, Samsung-ro Yeongtong-gu, Suwonsi, Gyeonggi-do 443-742, Repubilc of Korea (Korea, Republic of); Ha, Daegwon [Department of Materials Science and Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Chang-Gu [Center for Water Resource Cycle Research, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); An, Byungryul [Department of Civil Engineering, Sangmyung University, Cheonan, Chungnam 31066 (Korea, Republic of); Lee, Sang-Hyup [Center for Water Resource Cycle Research, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Mizuseki, Hiroshi, E-mail: mizuseki@kist.re.kr [Computational Science Research Center, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Choi, Jae-Woo, E-mail: plead36@kist.re.kr [Center for Water Resource Cycle Research, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Energy and Environmental Engineering, University of Science and Technology (UST), Daejeon 305-350 (Korea, Republic of); Kang, Shinhoo, E-mail: shinkang@snu.ac.kr [Department of Materials Science and Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of)

2016-01-25

Highlights: • The N-doping can improve the As adsorption performance of carbon-based materials. • The material features high micro- and small meso-pores with exceptional surface area. • Pyrrolic N atoms distributed uniformly on the micropores act as adsorption sites. • The synthesis temperature affected pore properties and surface functional groups. - Abstract: Arsenic in water and wastewater is considered to be a critical contaminant as it poses harmful health risks. In this regard, to meet the stringent regulation of arsenic in aqueous solutions, nitrogen doped carbon-based materials (CN) were prepared as adsorbents and tested for the removal of arsenic ion from aqueous solutions. Nitrogen-doped carbon (CNs) synthesized by chlorination exhibited well-developed micro- and small meso-pores with uniform pore structures. The structure and characteristics of the adsorbents thus developed were confirmed by field-emission scanning electron microscopy, transmission electron microscopy, Brunauer–Emmett–Teller analysis, X-ray diffraction, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy. Among the CNs developed, CN700 exhibited high adsorption capacity for arsenic (31.08 mg/g). The adsorption efficiency for arsenic ion was confirmed to be affected by pyrrolic nitrogen and micro-pores. These results suggest that CNs are useful adsorbents for the treatment of arsenic, and in particular, CN700 demonstrates potential for application as an adsorbent for the removal of anionic heavy metals from wastewater and sewage.

Remediation of Organic and Inorganic Arsenic Contaminated Groundwater using a Nonocrystalline TiO2 Based Adsorbent

Energy Technology Data Exchange (ETDEWEB)

Jing, C.; Meng, X; Calvache, E; Jiang, G

2009-01-01

A nanocrystalline TiO2-based adsorbent was evaluated for the simultaneous removal of As(V), As(III), monomethylarsonic acid (MMA), and dimethylarsinic acid (DMA) in contaminated groundwater. Batch experimental results show that As adsorption followed pseudo-second order rate kinetics. The competitive adsorption was described with the charge distribution multi-site surface complexation model (CD-MUSIC). The groundwater containing an average of 329 ?g L-1 As(III), 246 ?g L-1 As(V), 151 ?g L-1 MMA, and 202 ?g L-1 DMA was continuously passed through a TiO2 filter at an empty bed contact time of 6 min for 4 months. Approximately 11 000, 14 000, and 9900 bed volumes of water had been treated before the As(III), As(V), and MMA concentration in the effluent increased to 10 ?g L-1. However, very little DMA was removed. The EXAFS results demonstrate the existence of a bidentate binuclear As(V) surface complex on spent adsorbent, indicating the oxidation of adsorbed As(III). A nanocrystalline TiO2-based adsorbent could be used for the simultaneous removal of As(V), As(III), MMA, and DMA in contaminated groundwater.

In-situ quartz crystal microgravimetric studies of molecular adsorbates containing thiol and hydroquinone moieties bound to Au(111) surfaces in aqueous electrolytes

Energy Technology Data Exchange (ETDEWEB)

Mo, Y.; Sukenik, C.; Sandifer, M. [Case Western Univ., Cleveland, OH (United States); Barriga, R.J.; Soriaga, M.P.; Scherson, D. [Texas A& M Univ., College Station, TX (United States)

1995-12-01

The microgravimetric properties of monolayers of 2, 5-dihydroxythiophenol, 2,5-dihydroxybenzyl mercaptan, and 2, 5-dihydroxy-4-methylbenzyl mercaptan adsorbed on Au(111) single crystal electrodes were examined by in situ quartz crystal microbalance techniques in aqueous perchloric acid electrolytes. The results obtained are consistent with the reversible loss of an average of about three waters per adsorbed molecule as the layers are oxidized and subsequently reduced. These observations provide evidence for discrete changes in the extent of bound water within the hydroquinone/quinone layer as the oxidation state of the monolayer is changed. 9 refs., 4 figs.

13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

Science.gov (United States)

Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-12-01

Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent's surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

Regenerative adsorbent heat pump

Science.gov (United States)

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.

Ionogenic adsorbents based on local raw materials for radiation protection

International Nuclear Information System (INIS)

Isobaev, M.D.; Davlatnazarova, M.; Turdialiev, M.Z.; Abdullayev, T.H.; Pulatov, E.H.

2012-01-01

The successful management of uranium wastes and creating the conditions for effective rehabilitation activities require special adsorbents capable of holding on the surface complexes, including radioactive elements. Currently tested and have shown promising synthetic adsorbents based pitted apricot fruits and other fruit plants. This report presents data for the establishment of ionic type available adsorbents based on Tajikistan coal. As the base for the creation of this type of adsorbent were taken the coal of the 'Ziddi' deposits. As follows from our data on the chemical composition, the studied coals contain more than 20% of the ash. According to the available literature theses ashes contains various minerals compositions that can form the adsorbent's active surface. Thus, the model for this type of activated carbon can serve as a mixture of zeolite, ion exchange resins and activated carbon itself.

Removal of basic dye from aqueous solutions using nano scale zero valent iron (NZVI) as adsorbent

International Nuclear Information System (INIS)

Khan, M. S.; Ahmad, A.; Bangash, F. K.; Shah, S. S.; Khan, P.

2013-01-01

Nano scale zero valent iron (NZVI) was synthesized and tested for the purification of waste water contaminated by the organic pollutants. In the present study removal of basic blue 3 dye was investigated by NZVI adsorbent. NZVI adsorbent was prepared in the presence of N/sub 2/ gas atmosphere by sodium boro- hydrate (NaHB/sub 4/) reduction method. The particle size of the prepared adsorbent was approximately in the range of 1 x 10/sup -2/nm to 2 x 10/sup -2/nm. The adsorption of basic blue 3 dyes was confirmed with various parameters such as ionic strength, contact time and initial dye concentrations. The experiments were carried out in a batch mode technique. The surface morphology was studied by SEM analysis technique. (author)

Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons.

Science.gov (United States)

Simon, Aude; Rapacioli, Mathias; Mascetti, Joëlle; Spiegelman, Fernand

2012-05-21

This paper reports structures, energetics, dynamics and spectroscopy of H2O and (H2O)2 systems adsorbed on coronene (C24H12), a compact polycyclic aromatic hydrocarbon (PAH). On-the-fly Born-Oppenheimer molecular dynamics simulations are performed for temperatures T varying from 10 to 300 K, on a potential energy surface obtained within the self-consistent-charge density-functional based tight-binding (SCC-DFTB) approach. Anharmonic infrared (IR) spectra are extracted from these simulations. We first benchmark the SCC-DFTB semi-empirical hamiltonian vs. DFT (Density Functional Theory) calculations that include dispersion, on (C6H6)(H2O)1,2 small complexes. We find that charge corrections and inclusion of dispersion contributions in DFTB are necessary to obtain consistent structures, energetics and IR spectra. Using this Hamiltonian, the structures, energetics and IR features of the low-energy isomers of (C24H12)(H2O)1,2 are found to be similar to the DFT ones, with evidence for a stabilizing edge-coordination. The temperature dependence of the motions of H2O and (H2O)2 on the surface of C24H12 is analysed, revealing ultra-fast periodic motion. The water dimer starts diffusing at a higher temperature than the water monomer (150 K vs. 10 K respectively), which appears to be consistent with the binding energies. Qualitative and quantitative analyses of the effects of T on the IR spectra are performed. Anharmonic factors in particular are derived and it is shown that they can be used as signatures for the presence of PAH-water complexes. Finally, this paper lays the foundations for the studies of larger (PAH)m(H2O)n clusters, that can be treated with the efficient computational approach benchmarked in this paper.

Dynamic Stabilization of Metal Oxide–Water Interfaces

Energy Technology Data Exchange (ETDEWEB)

McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne E.; Eng, Peter J.; Blumberger, Jochen; Rosso, Kevin M.

2017-02-08

The interaction of water with metal oxide surfaces plays a crucial role in the catalytic and geochemical behavior of metal oxides. In a vast majority of studies, the interfacial structure is assumed to arise from a relatively static lowest energy configuration of atoms, even at room temperature. Using hematite (α-Fe2O3) as a model oxide, we show through a direct comparison of in situ synchrotron X-ray scattering with density functional theory-based molecular dynamics simulations that the structure of the (1102) termination is dynamically stabilized by picosecond water exchange. Simulations show frequent exchanges between terminal aquo groups and adsorbed water in locations and with partial residence times consistent with experimentally determined atomic sites and fractional occupancies. Frequent water exchange occurs even for an ultrathin adsorbed water film persisting on the surface under a dry atmosphere. The resulting time-averaged interfacial structure consists of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Surface pKa prediction based on bond valence analysis suggests that water exchange will influence the proton-transfer reactions underlying the acid/base reactivity at the interface. Our findings provide important new insights for understanding complex interfacial chemical processes at metal oxide–water interfaces.

Non-linear optical studies of adsorbates: Spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xiangdong.

1989-08-01

In the first part of this thesis, we have established a systematic procedure to apply the surface optical second-harmonic generation (SHG) technique to study surface dynamics of adsorbates. In particular, we have developed a novel technique for studies of molecular surface diffusions. In this technique, the laser-induced desorption with two interfering laser beams is used to produce a monolayer grating of adsorbates. The monolayer grating is detected with diffractions of optical SHG. By monitoring the first-order second-harmonic diffraction, we can follow the time evolution of the grating modulation from which we are able to deduce the diffusion constant of the adsorbates on the surface. We have successfully applied this technique to investigate the surface diffusion of CO on Ni(111). The unique advantages of this novel technique will enable us to readily study anisotropy of a surface diffusion with variable grating orientation, and to investigate diffusion processes of a large dynamic range with variable grating spacings. In the second part of this work, we demonstrate that optical infrared-visible sum-frequency generation (SFG) from surfaces can be used as a viable surface vibrational spectroscopic technique. We have successfully recorded the first vibrational spectrum of a monolayer of adsorbates using optical infrared-visible SFG. The qualitative and quantitative correlation of optical SFG with infrared absorption and Raman scattering spectroscopies are examined and experimentally demonstrated. We have further investigated the possibility to use transient infrared-visible SFG to probe vibrational transients and ultrafast relaxations on surfaces. 146 refs.

Non-linear optical studies of adsorbates: Spectroscopy and dynamics

International Nuclear Information System (INIS)

Zhu, Xiangdong.

1989-08-01

In the first part of this thesis, we have established a systematic procedure to apply the surface optical second-harmonic generation (SHG) technique to study surface dynamics of adsorbates. In particular, we have developed a novel technique for studies of molecular surface diffusions. In this technique, the laser-induced desorption with two interfering laser beams is used to produce a monolayer grating of adsorbates. The monolayer grating is detected with diffractions of optical SHG. By monitoring the first-order second-harmonic diffraction, we can follow the time evolution of the grating modulation from which we are able to deduce the diffusion constant of the adsorbates on the surface. We have successfully applied this technique to investigate the surface diffusion of CO on Ni(111). The unique advantages of this novel technique will enable us to readily study anisotropy of a surface diffusion with variable grating orientation, and to investigate diffusion processes of a large dynamic range with variable grating spacings. In the second part of this work, we demonstrate that optical infrared-visible sum-frequency generation (SFG) from surfaces can be used as a viable surface vibrational spectroscopic technique. We have successfully recorded the first vibrational spectrum of a monolayer of adsorbates using optical infrared-visible SFG. The qualitative and quantitative correlation of optical SFG with infrared absorption and Raman scattering spectroscopies are examined and experimentally demonstrated. We have further investigated the possibility to use transient infrared-visible SFG to probe vibrational transients and ultrafast relaxations on surfaces. 146 refs

Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles

Science.gov (United States)

Benkoula, Safia; Sublemontier, Olivier; Patanen, Minna; Nicolas, Christophe; Sirotti, Fausto; Naitabdi, Ahmed; Gaie-Levrel, François; Antonsson, Egill; Aureau, Damien; Ouf, François-Xavier; Wada, Shin-Ichi; Etcheberry, Arnaud; Ueda, Kiyoshi; Miron, Catalin

2015-01-01

We describe an experimental method to probe the adsorption of water at the surface of isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the gas phase using synchrotron radiation. To understand the interfacial properties between water and TiO2 surface, a water shell was adsorbed at the surface of TiO2 NPs. We used two different ways to control the hydration level of the NPs: in the first scheme, initially solvated NPs were dried and in the second one, dry NPs generated thanks to a commercial aerosol generator were exposed to water vapor. XPS was used to identify the signature of the water layer shell on the surface of the free TiO2 NPs and made it possible to follow the evolution of their hydration state. The results obtained allow the establishment of a qualitative determination of isolated NPs’ surface states, as well as to unravel water adsorption mechanisms. This method appears to be a unique approach to investigate the interface between an isolated nano-object and a solvent over-layer, paving the way towards new investigation methods in heterogeneous catalysis on nanomaterials. PMID:26462615

Monitoring peptide-surface interaction by means of molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Nonella, Marco, E-mail: mnonella@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland); Seeger, Stefan, E-mail: sseeger@pci.uzh.ch [Physikalisch-Chemisches Institut, Universitaet Zuerich, Winterthurerstrasse 190, CH-8057 Zuerich (Switzerland)

2010-12-09

Graphical abstract: Protein-surface interactions play a crucial role in a wide field of research areas like biology, biotechnology, or pharmacology. Only recently, it has been shown that not only peptide adsorption represents an important process but also spreading and clustering of adsorbed proteins. By means of classical molecular dynamics, peptide adsorption as well as the dynamics of adsorbed peptides have been investigated in order to gain deeper insight into such processes. The picture shows a snapshot of an adsorbed peptide on a silica surface showing strong direct hydrogen bonding. Research highlights: {yields} Simulation of peptide surface interaction. {yields} Dynamics of hydrogen bond formation and destruction. {yields} Internal flexibility of adsorbed peptides. - Abstract: Protein adsorption and protein surface interactions have become an important research topic in recent years. Very recently, for example, it has been shown that protein clusters can undergo a surface-induced spreading after adsorption. Such phenomena emphasize the need of a more detailed insight into protein-silica interaction at an atomic level. Therefore, we have studied a model system consisting of a short peptide, a silica slab, and water molecules by means of classical molecular dynamics simulations. The study reveals that, besides of electrostatic interactions caused by the chosen charge distribution, the peptide interacts with the silica surface through formation of direct peptide-surface hydrogen bonds as well as indirect peptide-water-surface hydrogen bonds. The number of created hydrogen bonds varies considerably among the simulated structures. The strength of hydrogen bonding determines the mobility of the peptide on the surface and the internal flexibility of the adsorbed peptide.

Dry powder pulmonary delivery of cationic PGA-co-PDL nanoparticles with surface adsorbed model protein.

Science.gov (United States)

Kunda, Nitesh K; Alfagih, Iman M; Dennison, Sarah R; Somavarapu, Satyanarayana; Merchant, Zahra; Hutcheon, Gillian A; Saleem, Imran Y

2015-08-15

Pulmonary delivery of macromolecules has been the focus of attention as an alternate route of delivery with benefits such as; large surface area, thin alveolar epithelium, rapid absorption and extensive vasculature. In this study, a model protein, bovine serum albumin (BSA) was adsorbed onto cationic PGA-co-PDL polymeric nanoparticles (NPs) prepared by a single emulsion solvent evaporation method using a cationic surfactant didodecyldimethylammonium bromide (DMAB) at 2% w/w (particle size: 128.64±06.01 nm and zeta-potential: +42.32±02.70 mV). The optimum cationic NPs were then surface adsorbed with BSA, NP:BSA (100:4) ratio yielded 10.01±1.19 μg of BSA per mg of NPs. The BSA adsorbed NPs (5 mg/ml) were then spray-dried in an aqueous suspension of L-leucine (7.5 mg/ml, corresponding to a ratio of 1:1.5/NP:L-leu) using a Büchi-290 mini-spray dryer to produce nanocomposite microparticles (NCMPs) containing cationic NPs. The aerosol properties showed a fine particle fraction (FPF, dae<4.46 μm) of 70.67±4.07% and mass median aerodynamic diameter (MMAD) of 2.80±0.21 μm suggesting a deposition in the respiratory bronchiolar region of the lungs.The cell viability was 75.76±03.55% (A549 cell line) at 156.25 μg/ml concentration after 24 h exposure. SDS-PAGE and circular dichroism (CD) confirmed that the primary and secondary structure of the released BSA was maintained. Moreover, the released BSA showed 78.76±1.54% relative esterolytic activity compared to standard BSA. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis and properties of porous zeolite aluminosilicate adsorbents

International Nuclear Information System (INIS)

Shilina, A.S.; Milinchuk, V.K.; Burukhin, S.B.; Gordienko, A.B.

2015-01-01

Environmentally safe non-energy-intensive methods of the synthesis have been developed and the properties of solid inorganic nanostructured zeolite-like adsorbents of a broad spectrum have been studied. The sorption capacities of the adsorbents with respect to various components of water pollution have been determined [ru

Removal of calcium and magnesium ions from hard water using modified Amorphophallus campanulatus skin as a low cost adsorbent

Directory of Open Access Journals (Sweden)

Lestari Ajeng Yulianti Dwi

2018-01-01

Full Text Available Low cost adsorbent from Amorphophallus campanulatus skin has successfully synthesized to remove calcium and magnesium ions in the syntetic hard water. A. campanulatus skin were dried, crushed into powder form and modified by acid modification. A batch experiment with various parameters was used in this research. Various isotherm models were applied to fit the experimental data. Adsorption capacity of Ca and Mg on KB and KM adsorbents in 100 ppm solution respectively 10,85 mg/g, 27,64 mg/g, 1,79 mg/g and 20,1 mg/g. It was found out that the adsorption behavior of hard mineral ions by adsorbents match well with the Dubinin Radushkevich isotherm model. Based on the result, it can be concluded that a acid modified A. campanulatus skin is quite potential as a new low cost adsorbent which is expected to be applied to Indonesian groundwater which have high degree of hardness.

Linear and nonlinear surface spectroscopy of supported size selected metal clusters and organic adsorbates

Energy Technology Data Exchange (ETDEWEB)

Thaemer, Martin Georg

2012-03-08

The spectroscopic investigation of supported size selected metal clusters over a wide wavelength range plays an important role for understanding their outstanding catalytic properties. The challenge which must be overcome to perform such measurements is the difficult detection of the weak spectroscopic signals from these samples. As a consequence, highly sensitive spectroscopic methods are applied, such as surface Cavity Ringdown Spectroscopy and surface Second Harmonic Generation Spectroscopy. The spectroscopic apparatus developed is shown to have a sensitivity which is high enough to detect sub-monolayer coverages of adsorbates on surfaces. In the measured spectra of small supported silver clusters of the sizes Ag{sub 4}2, Ag{sub 2}1, Ag{sub 9}, and Ag atoms a stepwise transition from particles with purely metallic character to particles with molecule-like properties can be observed within this size range.

Modeling the thermostability of surface functionalisation by oxygen, hydroxyl, and water on nanodiamonds.

Science.gov (United States)

Lai, Lin; Barnard, Amanda S

2011-06-01

Understanding nanodiamond functionalisation is of great importance for biological and medical applications. Here we examine the stabilities of oxygen, hydroxyl, and water functionalisation of the nanodiamonds using the self-consistent charge density functional tight-binding simulations. We find that the oxygen and hydroxyl termination are thermodynamically favourable and form strong C–O covalent bonds on the nanodiamond surface in an O2 and H2 gas reservoir, which confirms previous experiments. Yet, the thermodynamic stabilities of oxygen and hydroxyl functionalisation decrease dramatically in a water vapour reservoir. In contrast, H2O molecules are found to be physically adsorbed on the nanodiamond surface, and forced chemical adsorption results in decomposition of H2O. Moreover, the functionalisation efficiency is found to be facet dependent. The oxygen functionalisation prefers the {100} facets as opposed to alternative facets in an O2 and H2 gas reservoir. The hydroxyl functionalisation favors the {111} surfaces in an O2 and H2 reservoir and the {100} facets in a water vapour reservoir, respectively. This facet selectivity is found to be largely dependent upon the environmental temperature, chemical reservoir, and morphology of the nanodiamonds.

Analysis of Adsorbate-Adsorbate and Adsorbate-Adsorbent Interactions to Decode Isosteric Heats of Gas Adsorption.

Science.gov (United States)

Madani, S Hadi; Sedghi, Saeid; Biggs, Mark J; Pendleton, Phillip

2015-12-21

A qualitative interpretation is proposed to interpret isosteric heats of adsorption by considering contributions from three general classes of interaction energy: fluid-fluid heat, fluid-solid heat, and fluid-high-energy site (HES) heat. Multiple temperature adsorption isotherms are defined for nitrogen, T=(75, 77, 79) K, argon at T=(85, 87, 89) K, and for water and methanol at T=(278, 288, 298) K on a well-characterized polymer-based, activated carbon. Nitrogen and argon are subjected to isosteric heat analyses; their zero filling isosteric heats of adsorption are consistent with slit-pore, adsorption energy enhancement modelling. Water adsorbs entirely via specific interactions, offering decreasing isosteric heat at low pore filling followed by a constant heat slightly in excess of water condensation enthalpy, demonstrating the effects of micropores. Methanol offers both specific adsorption via the alcohol group and non-specific interactions via its methyl group; the isosteric heat increases at low pore filling, indicating the predominance of non-specific interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Order-disorder transitions in adsorbed systems on magnetic surfaces

International Nuclear Information System (INIS)

Aguilera-Granja, F.; Moran-Lopez, J.L.; Instituto Politecnico Nacional, Mexico City. Centro de Investigacion y de Estudios Avanzados); Falicov, L.M.

1984-01-01

It is investigated the effect of adsorbed atoms on the magnetic properties of ferromagnets. The Ising model is employed considering nearest neigbours with antiferromagnetic coupling between atoms. (M.W.O.) [pt

Extending the range of low energy electron diffraction (LEED) surface structure determination: Co-adsorbed molecules, incommensurate overlayers and alloy surface order studied by new video and electron counting LEED techniques

Energy Technology Data Exchange (ETDEWEB)

Ogletree, D.F.

1986-11-01

LEED multiple scattering theory is briefly summarized, and aspects of electron scattering with particular significance to experimental measurements such as electron beam coherence, instrument response and phonon scattering are analyzed. Diffuse LEED experiments are discussed. New techniques that enhance the power of LEED are described, including a real-time video image digitizer applied to LEED intensity measurements, along with computer programs to generate I-V curves. The first electron counting LEED detector using a ''wedge and strip'' position sensitive anode and digital electronics is described. This instrument uses picoampere incident beam currents, and its sensitivity is limited only by statistics and counting times. Structural results on new classes of surface systems are presented. The structure of the c(4 x 2) phase of carbon monoxide adsorbed on Pt(111) has been determined, showing that carbon monoxide molecules adsorb in both top and bridge sites, 1.85 +- 0.10 A and 1.55 +- 0.10 A above the metal surface, respectively. The structure of an incommensurate graphite overlayer on Pt(111) is analyzed. The graphite layer is 3.70 +- 0.05 A above the metal surface, with intercalated carbon atoms located 1.25 +- 0.10 A above hollow sites supporting it. The (2..sqrt..3 x 4)-rectangular phase of benzene and carbon monoxide coadsorbed on Pt(111) is analyzed. Benzene molecules adsorb in bridge sites parallel to and 2.10 +- 0.10 A above the surface. The carbon ring is expanded, with an average C-C bond length of 1.72 +- 0.15 A. The carbon monoxide molecules also adsorb in bridge sites. The structure of the (..sqrt..3 x ..sqrt..3) reconstruction on the (111) face of the ..cap alpha..-CuAl alloy has been determined.

Extending the range of low energy electron diffraction (LEED) surface structure determination: Co-adsorbed molecules, incommensurate overlayers and alloy surface order studied by new video and electron counting LEED techniques

International Nuclear Information System (INIS)

Ogletree, D.F.

1986-11-01

LEED multiple scattering theory is briefly summarized, and aspects of electron scattering with particular significance to experimental measurements such as electron beam coherence, instrument response and phonon scattering are analyzed. Diffuse LEED experiments are discussed. New techniques that enhance the power of LEED are described, including a real-time video image digitizer applied to LEED intensity measurements, along with computer programs to generate I-V curves. The first electron counting LEED detector using a ''wedge and strip'' position sensitive anode and digital electronics is described. This instrument uses picoampere incident beam currents, and its sensitivity is limited only by statistics and counting times. Structural results on new classes of surface systems are presented. The structure of the c(4 x 2) phase of carbon monoxide adsorbed on Pt(111) has been determined, showing that carbon monoxide molecules adsorb in both top and bridge sites, 1.85 +- 0.10 A and 1.55 +- 0.10 A above the metal surface, respectively. The structure of an incommensurate graphite overlayer on Pt(111) is analyzed. The graphite layer is 3.70 +- 0.05 A above the metal surface, with intercalated carbon atoms located 1.25 +- 0.10 A above hollow sites supporting it. The (2√3 x 4)-rectangular phase of benzene and carbon monoxide coadsorbed on Pt(111) is analyzed. Benzene molecules adsorb in bridge sites parallel to and 2.10 +- 0.10 A above the surface. The carbon ring is expanded, with an average C-C bond length of 1.72 +- 0.15 A. The carbon monoxide molecules also adsorb in bridge sites. The structure of the (√3 x √3) reconstruction on the (111) face of the α-CuAl alloy has been determined

First-principles investigations of electronic and magnetic properties of SrTiO3 (001) surfaces with adsorbed ethanol and acetone molecules

Science.gov (United States)

Adeagbo, Waheed A.; Fischer, Guntram; Hergert, Wolfram

2011-05-01

First-principles methods based on density functional theory are used to investigate the electronic and magnetic properties of molecular interaction of the TiO2 terminated SrTiO3 (100) surface with ethanol or acetone. Both the perfect surface and the surface with an oxygen or a titanium vacancy in the top layer are considered. Ethanol and acetone are preferentially adsorbed molecularly via their respective oxygen atom on top of the Ti atom on the perfect surface. In case of an oxygen vacancy the adsorption of ethanol or acetone occurs directly on top of the vacancy and does not significantly affect the magnetism caused by the vacancy. In the case of a titanium vacancy both adsorbates occupy positions above Ti atoms. During this adsorption process the ethanol molecule dissociates into a CH3CO radical and three hydrogen atoms. The latter form hydroxide bonds with three of the four dangling oxygen bonds around the Ti vacancy and any magnetic moment induced by the Ti vacancy is annihilated. Thus the ethanol and acetone have a different impact on the surface magnetism of the SrTiO3 (100) surface.

Selective cesium removal from radioactive liquid waste by crown ether immobilized new class conjugate adsorbent.

Science.gov (United States)

Awual, Md Rabiul; Yaita, Tsuyoshi; Taguchi, Tomitsugu; Shiwaku, Hideaki; Suzuki, Shinichi; Okamoto, Yoshihiro

2014-08-15

Conjugate materials can provide chemical functionality, enabling an assembly of the ligand complexation ability to metal ions that are important for applications, such as separation and removal devices. In this study, we developed ligand immobilized conjugate adsorbent for selective cesium (Cs) removal from wastewater. The adsorbent was synthesized by direct immobilization of dibenzo-24-crown-8 ether onto inorganic mesoporous silica. The effective parameters such as solution pH, contact time, initial Cs concentration and ionic strength of Na and K ion concentrations were evaluated and optimized systematically. This adsorbent was exhibited the high surface area-to-volume ratios and uniformly shaped pores in case cavities, and its active sites kept open functionality to taking up Cs. The obtained results revealed that adsorbent had higher selectivity toward Cs even in the presence of a high concentration of Na and K and this is probably due to the Cs-π interaction of the benzene ring. The proposed adsorbent was successfully applied for radioactive Cs removal to be used as the potential candidate in Fukushima nuclear wastewater treatment. The adsorbed Cs was eluted with suitable eluent and simultaneously regenerated into the initial form for the next removal operation after rinsing with water. The adsorbent retained functionality despite several cycles during sorption-elution-regeneration operations. Copyright © 2014 Elsevier B.V. All rights reserved.

Quantitative surface studies of protein adsorption by infrared spectroscopy. II. Quantification of adsorbed and bulk proteins

International Nuclear Information System (INIS)

Fink, D.J.; Hutson, T.B.; Chittur, K.K.; Gendreau, R.M.

1987-01-01

Attenuated total reflectance Fourier transform infrared spectra of surface-adsorbed proteins are correlated with concentration measurements determined by 125 I-labeled proteins. This paper demonstrates that linear correlations between the intensity of the major bands of proteins and the quantity of proteins can be obtained for human albumin and immunoglobulin G up to surface concentrations of approximately 0.25 microgram/cm2. A poorer correlation was observed for human fibrinogen. A linear correlation was also observed between the concentration in the bulk solution and the major bands of albumin up to a concentration of 60 mg/ml

Pilot Scale Testing of Adsorbent Amended Filters under High Hydraulic Loads for Highway Runoff in Cold Climates

Directory of Open Access Journals (Sweden)

Carlos Monrabal-Martinez

2017-03-01

Full Text Available This paper presents an estimation of the service life of three filters composed of sand and three alternative adsorbents for stormwater treatment according to Norwegian water quality standards for receiving surface waters. The study conducted pilot scale column tests on three adsorbent amended filters for treatment of highway runoff in cold climates under high hydraulic loads. The objectives were to evaluate the effect of high hydraulic loads and the application of deicing salts on the performance of these filters. From previous theoretical and laboratory analysis granulated activated charcoal, pine bark, and granulated olivine were chosen as alternative adsorbent materials for the present test. Adsorption performance of the filters was evaluated vis-à-vis four commonly found hazardous metals (Cu, Pb, Ni and Zn in stormwater. The results showed that the filters were able to pass water at high inflow rates while achieving high removal. Among the filters, the filters amended with olivine or pine bark provided the best performance both in short and long-term tests. The addition of NaCl (1 g/L did not show any adverse impact on the desorption of already adsorbed metals, except for Ni removal by the charcoal amended filter, which was negatively impacted by the salt addition. The service life of the filters was found to be limited by zinc and copper, due to high concentrations observed in local urban runoff, combined with moderate affinity with the adsorbents. It was concluded that both the olivine and the pine bark amended filter should be tested in full-scale conditions.

Adsorption of methanol, ethanol and water on well-characterized PtSn surface alloys

Science.gov (United States)

Panja, Chameli; Saliba, Najat; Koel, Bruce E.

1998-01-01

Adsorption and desorption of methanol (CH 3OH), ethanol (C 2H 5OH) and water on Pt(111) and two, ordered, PtSn alloys has been studied primarily using temperature-programmed desorption (TPD) mass spectroscopy. The two alloys studied were the {p(2 × 2) Sn}/{Pt(111) } and (√3 × √3) R30° {Sn}/{Pt(111) } surface alloys prepared by vapor deposition of Sn on Pt(111), with θSn = 0.25 and 0.33, respectively. All three molecules are weakly bonded and reversibly adsorbed under UHV conditions on all three surfaces, molecularly desorbing during TPD without any decomposition. The two PtSn surface alloys were found to chemisorb both methanol and ethanol slightly more weakly than on the Pt(111) surface. The desorption activation energies measured by TPD, and hence the adsorption energies, of both methanol and ethanol progressively decrease as the surface concentration of Sn increases, compared with Pt(111). The decreased binding energy leads one to expect a lower reactivity for these alcohols on the two alloys. The sticking coefficients and the monolayer coverages of these alcohols on the two alloys were identical to that on Pt(111) at 100 K, independent of the amount of Sn present in the surface layer. Alloying Sn in Pt(111) also slightly weakens the adsorption energy of water. Water clusters are formed even at low coverages on all three surfaces, eventually forming a water bilayer prior to the formation of a condensed ice phase. These results are relevant to a molecular-level explanation for the reactivity of Sn-promoted Pt surfaces that have been used in the electro-oxidation of simple organic molecules.

Water Pollution and Treatments Part I: Evaluation of Organic, Inorganic and Marine Products as Adsorbents For Petroleum Pollutants Present In Aqueous Wastes

International Nuclear Information System (INIS)

Ali, N.A.; El-Tamany, E.H.; El-Emary, M.M.

2011-01-01

The main objective of the present work is to perform a comparative laboratory study using an adsorption technique for oil removal from the waste water drained to sea from refineries, offshore and/or onshore petroleum installations. Different crushed adsorbent materials, namely, cotton fibers, charcoal, petroleum coke, agriculture wastes (such as, rice straws, wheat stems, milled dry leaves and lignin), inorganic adsorbents (such as sand, and bricks) and a marine Product (such as sponge) are included in this study. They were tested for oil recovery from laboratory prepared oily salt water samples. Two different Egyptian crude oils varying in their properties and several refined products (gasoline, kerosene, gas oil, diesel oil, fuel oil, lubricating oil) and skimmed oil were employed. Their adsorptive efficiencies were tested. Good results were obtained with sponge and cotton fibers. The used agricultural wastes show better adsorption compared with coke and inorganic adsorbents.

Irradiation Degradation of Adsorbents for Minor Actinides Recovery

International Nuclear Information System (INIS)

Watanabe, S.; Sano, Y.; Kofuji, H.; Takeuchi, M.; Koizumi, T.

2015-01-01

Extraction chromatography is one of the promising technologies for minor actinides (MA: Am and Cm) recovery from high-level liquid waste. The degradation behaviour of the organic species in the adsorbents under radiation exposure is important to discuss the safety and durability of the adsorbent in the extraction chromatography process. In this study, gamma-ray irradiation experiments on TODGA/SiO 2 -P adsorbent were carried out to investigate the degradation products from radiolysis of the adsorbent. The degraded organic species eluted from the adsorbent and those remaining inside the adsorbent were thoroughly identified by GC/MS, FT-IR and NMR analyses. The species suspected as hydrolysis products of TODGA were mainly detected from the analyses. Since some radicals such as.H or.OH are generated by the gamma-ray irradiation on water molecules, it was discussed that the radicals products from radiolysis of HNO 3 solution are related to the degradation reaction of the extractants. (authors)

Oxygen isotope fractionation effects in soil water via interaction with cations (Mg, Ca, K, Na) adsorbed to phyllosilicate clay minerals

Science.gov (United States)

Oerter, Erik; Finstad, Kari; Schaefer, Justin; Goldsmith, Gregory R.; Dawson, Todd; Amundson, Ronald

2014-07-01

In isotope-enabled hydrology, soil and vadose zone sediments have been generally considered to be isotopically inert with respect to the water they host. This is inconsistent with knowledge that clay particles possessing an electronegative surface charge and resulting cation exchange capacity (CEC) interact with a wide range of solutes which, in the absence of clays, have been shown to exhibit δ18O isotope effects that vary in relation to the ionic strength of the solutions. To investigate the isotope effects caused by high CEC clays in mineral-water systems, we created a series of monominerallic-water mixtures at gravimetric water contents ranging from 5% to 32%, consisting of pure deionized water of known isotopic composition with homoionic (Mg, Ca, Na, K) montmorillonite. Similar mixtures were also created with quartz to determine the isotope effect of non-, or very minimally-, charged mineral surfaces. The δ18O value of the water in these monominerallic soil analogs was then measured by isotope ratio mass spectrometry (IRMS) after direct headspace CO2 equilibration. Mg- and Ca-exchanged homoionic montmorillonite depleted measured δ18O values up to 1.55‰ relative to pure water at 5% water content, declining to 0.49‰ depletion at 30% water content. K-montmorillonite enriched measured δ18O values up to 0.86‰ at 5% water content, declining to 0.11‰ enrichment at 30% water. Na-montmorillonite produces no measureable isotope effect. The isotope effects observed in these experiments may be present in natural, high-clay soils and sediments. These findings have relevance to the interpretation of results of direct CO2-water equilibration approaches to the measurement of the δ18O value of soil water. The adsorbed cation isotope effect may bear consideration in studies of pedogenic carbonate, plant-soil water use and soil-atmosphere interaction. Finally, the observed isotope effects may prove useful as molecular scale probes of the nature of mineral-water

Coordination structure of adsorbed Zn(II) at Water-TiO2 interfaces

Energy Technology Data Exchange (ETDEWEB)

He, G.; Pan, G.; Zhang, M.; Waychunas, G.A.

2011-01-15

The local structure of aqueous metal ions on solid surfaces is central to understanding many chemical and biological processes in soil and aquatic environments. Here, the local coordination structure of hydrated Zn(II) at water-TiO{sub 2} interfaces was identified by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectroscopy combined with density functional theory (DFT) calculations. A nonintegral coordination number of average {approx}4.5 O atoms around a central Zn atom was obtained by EXAFS analysis. DFT calculations indicated that this coordination structure was consistent with the mixture of 4-coordinated bidentate binuclear (BB) and 5-coordinated bidentate mononuclear (BM) metastable equilibrium adsorption (MEA) states. The BB complex has 4-coordinated Zn, while the monodentate mononuclear (MM) complex has 6-coordinated Zn, and a 5-coordinated adsorbed Zn was found in the BM adsorption mode. DFT calculated energies showed that the lower-coordinated BB and BM modes were thermodynamically more favorable than the higher-coordinated MM MEA state. The experimentally observed XANES fingerprinting provided additional direct spectral evidence of 4- and 5-coordinated Zn-O modes. The overall spectral and computational evidence indicated that Zn(II) can occur in 4-, 5-, and 6-oxygen coordinated sites in different MEA states due to steric hindrance effects, and the coexistence of different MEA states formed the multiple coordination environments.

Selective adsorption of bovine hemoglobin on functional TiO2 nano-adsorbents: surface physic-chemical properties determined adsorption activity

Science.gov (United States)

Guo, Shiguang; Zhang, Jianghua; Shao, Mingxue; Zhang, Xia; Liu, Yufeng; Xu, Junli; Meng, Hao; Han, Yide

2015-04-01

Surface functionalized nanoparticles are efficient adsorbents which have shown good potential for protein separation. In this work, we chose two different types of organic molecules, oleic acid (OA) and 3-glycidoxypropyltrimethoxy silane (GPTMS), to functionalize the surface of TiO2 nanoparticles, and we studied the effects of this modification on their surface physicochemical properties in correlation with their selective adsorption of proteins. The results showed that the surface zeta potential and the surface water wettability of the modified TiO2 were significantly changed in comparison with the original TiO2 nanoparticles. The adsorption activities of bovine hemoglobin (BHb) and bovine serum albumin (BSA) on these functionalized TiO2 samples were investigated under different conditions, including pH values, contact time, ion strength, and initial protein concentration. In comparison with the non-specific adsorption of original TiO2, however, both the OA-TiO2 and GPTMS-TiO2 exhibited increased BHb adsorption and decreased BSA adsorption at the same time. Using a binary protein mixture as the adsorption object, a higher separation factor (SF) was obtained for OA-TiO2 under optimum conditions. The different adsorption activities of BHb and BSA on the modified TiO2 were correlated with different interactions at the protein/solid interface, and the chemical force as well as the electrostatic force played an important role in the selective adsorption process.

Driving force behind adsorption-induced protein unfolding: a time-resolved X-ray reflectivity study on lysozyme adsorbed at an air/water interface.

Science.gov (United States)

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Takagaki, Masafumi; Yamada, Hironari

2009-01-06

Time-resolved X-ray reflectivity measurements for lysozyme (LSZ) adsorbed at an air/water interface were performed to study the mechanism of adsorption-induced protein unfolding. The time dependence of the density profile at the air/water interface revealed that the molecular conformation changed significantly during adsorption. Taking into account previous work using Fourier transform infrared (FTIR) spectroscopy, we propose that the LSZ molecules initially adsorbed on the air/water interface have a flat unfolded structure, forming antiparallel beta-sheets as a result of hydrophobic interactions with the gas phase. In contrast, as adsorption continues, a second layer forms in which the molecules have a very loose structure having random coils as a result of hydrophilic interactions with the hydrophilic groups that protrude from the first layer.

Zeolites for nitrosamine and pharmaceutical removal from demineralised and surface water: Mechanisms and efficacy

KAUST Repository

De Ridder, David J.

2012-03-01

Zeolites with a high Si/Al ratio can be used as selective adsorbents in water treatment, targeting organic micropollutants which are removed poorly with activated carbon. Due to size exclusion, many Natural Organic Matter (NOM) components cannot access the pores, thus limiting adsorption competition between organic micropollutant and NOM. Furthermore, zeolite channel diameters are close to molecule diameters, which results in strong van der Waals interaction. MOR200 and ZSM5, the two most hydrophobic zeolites, showed the highest removal of neutral nitrosamines in demineralised water, with higher efficacy than activated carbon. DAY and MOR30, which were relatively hydrophilic zeolites, did not show appreciable removal of any of the nitrosamines. When nitrosamines were adsorbed from surface water, there was no influence of competition with, or pore blockage by, NOM components on nitrosamine removal for ZSM5 zeolite, in contrast to activated carbon. Repulsion of negatively charged pharmaceuticals was significant for ZSM5, which had a Si/Al ratio of 80. MOR200 had a Si/Al ratio of 200, indicating a lower Al content than ZSM5 and, as such, a lower negative surface charge. Charge effects were not observed for MOR200. A relationship was found between the Stokes diameter of the pharmaceuticals and nitrosamines, and their removal by ZSM5 and MOR200, indicating that a "close fit" adsorption mechanism is more likely than hydrophobic interaction in these zeolites. Due to their selective nature, adsorption on zeolites should only be considered as an additional treatment step to existing processes, dedicated for the removal of specific organic micropollutants. Less specific treatment techniques, such as activated carbon filtration, are still required to ensure a broad barrier for organic micropollutants in water treatment. © 2012 Elsevier B.V. All rights reserved.

Use of industrial by-products and natural media to adsorb nutrients, metals and organic carbon from drinking water.

Science.gov (United States)

Grace, Maebh A; Healy, Mark G; Clifford, Eoghan

2015-06-15

Filtration technology is well established in the water sector but is limited by inability to remove targeted contaminants, found in surface and groundwater, which can be damaging to human health. This study optimises the design of filters by examining the efficacy of seven media (fly ash, bottom ash, Bayer residue, granular blast furnace slag (GBS), pyritic fill, granular activated carbon (GAC) and zeolite), to adsorb nitrate, ammonium, total organic carbon (TOC), aluminium, copper (Cu) and phosphorus. Each medium and contaminant was modelled to a Langmuir, Freundlich or Temkin adsorption isotherm, and the impact of pH and temperature (ranging from 10 °C to 29 °C) on their performance was quantified. As retention time within water filters is important in contaminant removal, kinetic studies were carried out to observe the adsorption behaviour over a 24h period. Fly ash and Bayer residue had good TOC, nutrient and Cu adsorption capacity. Granular blast furnace slag and pyritic fill, previously un-investigated in water treatment, showed adsorption potential for all contaminants. In general, pH or temperature adjustment was not necessary to achieve effective adsorption. Kinetic studies showed that at least 60% of adsorption had occurred after 8h for all media. These media show potential for use in a multifunctional water treatment unit for the targeted treatment of specific contaminants. Copyright © 2015 Elsevier B.V. All rights reserved.

Competitive Adsorption of a Two-Component Gas on a Deformable Adsorbent

OpenAIRE

Usenko, A. S.

2013-01-01

We investigate the competitive adsorption of a two-component gas on the surface of an adsorbent whose adsorption properties vary in adsorption due to the adsorbent deformation. The essential difference of adsorption isotherms for a deformable adsorbent both from the classical Langmuir adsorption isotherms of a two-component gas and from the adsorption isotherms of a one-component gas taking into account variations in adsorption properties of the adsorbent in adsorption is obtained. We establi...

Influence of TiO{sub 2} Surface Properties on Water Pollution Treatment and Photocatalytic Activity

Energy Technology Data Exchange (ETDEWEB)

Zeng, Min [Southwest Univ. of Science and Technology, Mianyang (China)

2013-03-15

The titania surface showed different characteristics depending on the charge of the dye molecules. Compared with the MB molecules, the negatively charged MO molecules strongly adsorbed on the titania surface. Furthermore, the decomposition kinetics of the dye molecules by the photocatalytic activity also deepened with the charge of the dye molecules. The relation between the UV irradiation time and the molar ratio of the decomposed dye molecules followed the Avrami equation. According to the results of the analysis by using the Avrami equation, the MO molecules were decomposed on the titania particle surface. In contrast, the MB molecules were decomposed in the aqueous solution. The difference in kinetics was related to the interaction of the dye molecules and the titania surface. These preferential adsorption and decomposition characteristics will improve its applications in water pollution treatment.

Second-harmonic generation from sub-monolayer molecular adsorbates using a c-w diode laser: Maui surface experiment

International Nuclear Information System (INIS)

Boyd, G.T.; Shen, Y.R.; Hansch, T.W.

1985-06-01

Optical second-harmonic generation (SHG) can be an extremely sensitive tool for surface studies. The technique is capable of probing adsorbed molecules at various interfaces. It is based on the idea that SHG is forbidden in a medium with inversion symmetry, but necessarily allowed at a surface. To see such a surface nonlinear optical effect, high laser intensity is often needed. Thus, in the experiments reported so far, pulsed lasers were used exclusively. From the consideration for practical applications, however, the technique would look much more attractive if the bulky pulsed laser can be replaced by a simple inexpensive c-w diode laser. This paper describes the first demonstration of surface SHG with a c-w laser. 3 refs., 1 fig

Tensiometry and dilational rheology of mixed β-lactoglobulin/ionic surfactant adsorption layers at water/air and water/hexane interfaces.

Science.gov (United States)

Dan, Abhijit; Gochev, Georgi; Miller, Reinhard

2015-07-01

Oscillating drop tensiometry was applied to study adsorbed interfacial layers at water/air and water/hexane interfaces formed from mixed solutions of β-lactoglobulin (BLG, 1 μM in 10 mM buffer, pH 7 - negative net charge) and the anionic surfactant SDS or the cationic DoTAB. The interfacial pressure Π and the dilational viscoelasticity modulus |E| of the mixed layers were measured for mixtures of varying surfactant concentrations. The double capillary technique was employed which enables exchange of the protein solution in the drop bulk by surfactant solution (sequential adsorption) or by pure buffer (washing out). The first protocol allows probing the influence of the surfactant on a pre-adsorbed protein layer thus studying the protein/surfactant interactions at the interface. The second protocol gives access to the residual values of Π and |E| measured after the washing out procedure thus bringing information about the process of protein desorption. The DoTAB/BLG complexes exhibit higher surface activity and higher resistance to desorption in comparison with those for the SDS/BLG complexes due to hydrophobization via electrostatic binding of surfactant molecules. The neutral DoTAB/BLG complexes achieve maximum elastic response of the mixed layer. Mixed BLG/surfactant layers at the water/oil interface are found to reach higher surface pressure and lower maximum dilational elasticity than those at the water/air surface. The sequential adsorption mode experiments and the desorption study reveal that binding of DoTAB to pre-adsorbed BLG globules is somehow restricted at the water/air surface in comparison with the case of complex formation in the solution bulk and subsequently adsorbed at the water/air surface. Maximum elasticity is achieved with washed out layers obtained after simultaneous adsorption, i.e. isolation of the most surface active DoTAB/BLG complex. These specific effects are much less pronounced at the W/H interface. Copyright © 2015 Elsevier Inc

Aminopropyl-functionalized mesoporous carbon (APTMS-CMK-3) as effective phosphate adsorbent

Science.gov (United States)

Yang, Yanju; Wang, Juanjuan; Qian, Xiaoqing; Shan, Yuhua; Zhang, Haipeng

2018-01-01

Excess phosphate discharge into water bodies can lead to severe eutrophication. Adsorption has been considered as one of the most effective approaches for phosphate removal and recovery. A new aminopropyl-functionalized mesoporous carbon CMK-3 (denoted as APTMS-CMK-3) was prepared and the materials were used as adsorbents for the removal of phosphate in water. The structure, functional groups and surface charge of the materials were characterized by X-ray powder diffraction, transmission electron microscope, N2 adsorption-desorption, elemental analysis, Fourier transform infrared spectra, X-ray photoelectron spectroscopy and zeta potential measurements. The effects of contact time, initial phosphate concentration, solution pH, coexisting anions and dissolved humic acid were studied. The adsorption capacity of APTMS-CMK-3 was 38.09 mg g-1 at the equilibrium concentration of 49.06 mg L-1, and the adsorption data were well fitted with the Freundlich model. As for the reuse of APTMS-CMK-3, a relatively stable adsorption performance was observed after five adsorption-desorption cycles. Therefore, the way of grafting aminopropyl groups on the CMK-3 efficiently enhanced the capability for phosphate adsorption, indicating that it could be used as potential adsorbents for the removal of phosphate in water.

Sustainable conversion of agro-wastes into useful adsorbents

Science.gov (United States)

Bello, Olugbenga Solomon; Owojuyigbe, Emmanuel Seun; Babatunde, Monsurat Abiodun; Folaranmi, Folasayo Eunice

2017-11-01

Preparation and characterization of raw and activated carbon derived from three different selected agricultural wastes: kola nut pod raw and activated (KNPR and KNPA), bean husk raw and activated (BHR and BHA) and coconut husk raw and activated (CHR and CHA) were investigated, respectively. Influences of carbonization and acid activation on the activated carbon were investigated using SEM, FTIR, EDX, pHpzc and Boehm titration techniques, respectively. Carbonization was done at 350 °C for 2 h followed by activation with 0.3 M H3PO4 (ortho-phosphoric acid). Results obtained from SEM, FTIR, and EDX revealed that, carbonization followed by acid activation had a significant influence on morphology and elemental composition of the samples. SEM showed well-developed pores on the surface of the precursors after acid treatment, FTIR spectra revealed reduction, broadening, disappearance or appearance of new peaks after acid activation. EDX results showed highest percentage of carbon by atom respectively in the order BHA > KNPA > CHA respectively. The pHpzc was found to be 5.32, 4.57 and 3.69 for KNPA, BHA and CHA, respectively. Boehm titration result compliments that of pHpzc, indicating that the surfaces of the prepared adsorbents are predominantly acidic. This study promotes a sustainable innovative use of agro-wastes in the production of cheap and readily available activated carbons, thereby ensuring more affordable water and effluent treatment adsorbents.

Surfactant modified zeolite as amphiphilic and dual-electronic adsorbent for removal of cationic and oxyanionic metal ions and organic compounds.

Science.gov (United States)

Tran, Hai Nguyen; Viet, Pham Van; Chao, Huan-Ping

2018-01-01

A hydrophilic Y zeolite was primarily treated with sodium hydroxide to enhance its cation exchange capacity (Na-zeolite). The organo-zeolite (Na-H-zeolite) was prepared by a modification process of the external surface of Na-zeolite with a cationic surfactant (hexadecyltrimethylammonium; HDTMA). Three adsorbents (i.e., pristine zeolite, Na-zeolite, and Na-H-zeolite) were characterized with nitrogen adsorption/desorption isotherms, scanning electron microscopy coupled with energy dispersive X-ray spectroscopy, cation exchange capacities, and zeta potential. Results demonstrated that HDTMA can be adsorbed on the surface of Na-zeolite to form patchy bilayers. The adsorption capacity of several hazardous pollutants (i.e., Pb 2+ , Cu 2+ , Ni 2+ , Cr 2 O 7 2- , propylbenzene, ethylbenzene, toluene, benzene, and phenol) onto Na-H-zeolite was investigated in a single system and multiple-components. Adsorption isotherm was measured to further understand the effects of the modification process on the adsorption behaviors of Na-H-zeolite. Adsorption performances indicated that Na-H-zeolite can simultaneously adsorb the metal cations (on the surface not covered by HDTMA), oxyanions (on the surface covered by HDTMA). Na-H-zeolite also exhibited both hydrophilic and hydrophobic surfaces to uptake organic compounds with various water solubilities (from 55 to 75,000mg/L). It was experimentally concluded that Na-H-zeolite is a potential dual-electronic and amphiphilic adsorbent for efficiently removing a wide range of potentially toxic pollutants from aquatic environments. Copyright © 2017 Elsevier Inc. All rights reserved.

Remediation of organic and inorganic arsenic contaminated groundwater using a nanocrystalline TiO{sub 2}-based adsorbent

Energy Technology Data Exchange (ETDEWEB)

Jing Chuanyong, E-mail: cyjing@rcees.ac.c [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, 18 Shuangqing Road, Beijing 100085 (China); Center for Environmental Systems, Stevens Institute of Technology, Hoboken, NJ 07030 (United States); Meng Xiaoguang; Calvache, Edwin [Center for Environmental Systems, Stevens Institute of Technology, Hoboken, NJ 07030 (United States); Jiang Guibin [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, 18 Shuangqing Road, Beijing 100085 (China)

2009-08-15

A nanocrystalline TiO{sub 2}-based adsorbent was evaluated for the simultaneous removal of As(V), As(III), monomethylarsonic acid (MMA), and dimethylarsinic acid (DMA) in contaminated groundwater. Batch experimental results show that As adsorption followed pseudo-second order rate kinetics. The competitive adsorption was described with the charge distribution multi-site surface complexation model (CD-MUSIC). The groundwater containing an average of 329 mug L{sup -1} As(III), 246 mug L{sup -1} As(V), 151 mug L{sup -1} MMA, and 202 mug L{sup -1} DMA was continuously passed through a TiO{sub 2} filter at an empty bed contact time of 6 min for 4 months. Approximately 11 000, 14 000, and 9900 bed volumes of water had been treated before the As(III), As(V), and MMA concentration in the effluent increased to 10 mug L{sup -1}. However, very little DMA was removed. The EXAFS results demonstrate the existence of a bidentate binuclear As(V) surface complex on spent adsorbent, indicating the oxidation of adsorbed As(III). - A nanocrystalline TiO{sub 2}-based adsorbent could be used for the simultaneous removal of As(V), As(III), MMA, and DMA in contaminated groundwater.

A COMPREHENSIVE STUDY OF HYDROGEN ADSORBING TO AMORPHOUS WATER ICE: DEFINING ADSORPTION IN CLASSICAL MOLECULAR DYNAMICS

Energy Technology Data Exchange (ETDEWEB)

Dupuy, John L.; Lewis, Steven P.; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, University of Georgia, Athens, GA 30602 (United States)

2016-11-01

Gas–grain and gas–phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas–grain reactions require a substrate (e.g., a dust or ice grain) on which the reaction is able to occur. The formation of molecular hydrogen (H{sub 2}) in the ISM is the prototypical example of a gas–grain reaction. In these reactions, an atom of hydrogen will strike a surface, stick to it, and diffuse across it. When it encounters another adsorbed hydrogen atom, the two can react to form molecular hydrogen and then be ejected from the surface by the energy released in the reaction. We perform in-depth classical molecular dynamics simulations of hydrogen atoms interacting with an amorphous water-ice surface. This study focuses on the first step in the formation process; the sticking of the hydrogen atom to the substrate. We find that careful attention must be paid in dealing with the ambiguities in defining a sticking event. The technical definition of a sticking event will affect the computed sticking probabilities and coefficients. Here, using our new definition of a sticking event, we report sticking probabilities and sticking coefficients for nine different incident kinetic energies of hydrogen atoms [5–400 K] across seven different temperatures of dust grains [10–70 K]. We find that probabilities and coefficients vary both as a function of grain temperature and incident kinetic energy over the range of 0.99–0.22.

Valorization of solid waste products from olive oil industry as potential adsorbents for water pollution control--a review.

Science.gov (United States)

Bhatnagar, Amit; Kaczala, Fabio; Hogland, William; Marques, Marcia; Paraskeva, Christakis A; Papadakis, Vagelis G; Sillanpää, Mika

2014-01-01

The global olive oil production for 2010 is estimated to be 2,881,500 metric tons. The European Union countries produce 78.5% of the total olive oil, which stands for an average production of 2,136,000 tons. The worldwide consumption of olive oil increased of 78% between 1990 and 2010. The increase in olive oil production implies a proportional increase in olive mill wastes. As a consequence of such increasing trend, olive mills are facing severe environmental problems due to lack of feasible and/or cost-effective solutions to olive-mill waste management. Therefore, immediate attention is required to find a proper way of management to deal with olive mill waste materials in order to minimize environmental pollution and associated health risks. One of the interesting uses of solid wastes generated from olive mills is to convert them as inexpensive adsorbents for water pollution control. In this review paper, an extensive list of adsorbents (prepared by utilizing different types of olive mill solid waste materials) from vast literature has been compiled, and their adsorption capacities for various aquatic pollutants removal are presented. Different physicochemical methods that have been used to convert olive mill solid wastes into efficient adsorbents have also been discussed. Characterization of olive-based adsorbents and adsorption mechanisms of various aquatic pollutants on these developed olive-based adsorbents have also been discussed in detail. Conclusions have been drawn from the literature reviewed, and suggestions for future research are proposed.

Removal efficiency of water purifier and adsorbent for iodine, cesium, strontium, barium and zirconium in drinking water.

Science.gov (United States)

Sato, Itaru; Kudo, Hiroaki; Tsuda, Shuji

2011-01-01

The severe incident of Fukushima Daiichi Nuclear Power Station has caused radioactive contamination of environment including drinking water. Radioactive iodine, cesium, strontium, barium and zirconium are hazardous fission products because of the high yield and/or relatively long half-life. In the present study, 4 pot-type water purifiers and several adsorbents were examined for the removal effects on these elements from drinking water. Iodide, iodate, cesium and barium were removed by all water purifiers with efficiencies about 85%, 40%, 75-90% and higher than 85%, respectively. These efficiencies lasted for 200 l, which is near the recommended limits for use of filter cartridges, without decay. Strontium was removed with initial efficiencies from 70% to 100%, but the efficiencies were slightly decreased by use. Zirconium was removed by two models, but hardly removed by the other models. Synthetic zeolite A4 efficiently removed cesium, strontium and barium, but had no effect on iodine and zirconium. Natural zeolite, mordenite, removed cesium with an efficiency as high as zeolite A4, but the removal efficiencies for strontium and barium were far less than those of zeolite A4. Activated carbon had little removal effects on these elements. In case of radioactive contamination of tap water, water purifiers may be available for convenient decontamination of drinking water in the home.

Revealing Surface Waters on an Antifreeze Protein by Fusion Protein Crystallography Combined with Molecular Dynamic Simulations.

Science.gov (United States)

Sun, Tianjun; Gauthier, Sherry Y; Campbell, Robert L; Davies, Peter L

2015-10-08

Antifreeze proteins (AFPs) adsorb to ice through an extensive, flat, relatively hydrophobic surface. It has been suggested that this ice-binding site (IBS) organizes surface waters into an ice-like clathrate arrangement that matches and fuses to the quasi-liquid layer on the ice surface. On cooling, these waters join the ice lattice and freeze the AFP to its ligand. Evidence for the generality of this binding mechanism is limited because AFPs tend to crystallize with their IBS as a preferred protein-protein contact surface, which displaces some bound waters. Type III AFP is a 7 kDa globular protein with an IBS made up two adjacent surfaces. In the crystal structure of the most active isoform (QAE1), the part of the IBS that docks to the primary prism plane of ice is partially exposed to solvent and has clathrate waters present that match this plane of ice. The adjacent IBS, which matches the pyramidal plane of ice, is involved in protein-protein crystal contacts with few surface waters. Here we have changed the protein-protein contacts in the ice-binding region by crystallizing a fusion of QAE1 to maltose-binding protein. In this 1.9 Å structure, the IBS that fits the pyramidal plane of ice is exposed to solvent. By combining crystallography data with MD simulations, the surface waters on both sides of the IBS were revealed and match well with the target ice planes. The waters on the pyramidal plane IBS were loosely constrained, which might explain why other isoforms of type III AFP that lack the prism plane IBS are less active than QAE1. The AFP fusion crystallization method can potentially be used to force the exposure to solvent of the IBS on other AFPs to reveal the locations of key surface waters.

An Energy Conservation Approach to Adsorbate-Induced Surface Stress and the Extraction of Binding Energy Using Nanomechanics

Energy Technology Data Exchange (ETDEWEB)

Pinnaduwage, Lal A [ORNL; Boiadjiev, Vassil I [ORNL; Fernando, G. W. [University of Connecticut, Storrs; Hawk, J. E. [Oak Ridge National Laboratory (ORNL); Wijewardhana, L.C. R. [University of Cincinnati; Gehl, Anthony C [ORNL

2008-01-01

Microcantilevers are ideally-suited for the study of surface phenomena due to their large surface-to-volume ratios, which amplify surface effects. We show that when guest molecules bind to atoms/molecules on a microcantilever surface, the released binding energy is retained in the host surface, leading to a metastable state where the excess energy on the surface is manifested as an increase in surface stress leading to the bending of the microcantilever. When the excess energy is released, the microcantilever relaxes back to the original state, and the relaxation time depends on the particular binding process involved. Such experiments were conducted for three binding processes in vapor phase experiments: physisorption, hydrogen bonding, and chemisorption. To our knowledge, such an energy conservation approach has not been taken into account in adsorbate-induced surface effect investigations. Furthermore, these experiments illustrate that detailed molecular-level information on binding energies can be extracted from this simple micromechanical sensor.

A Solid-State Deuterium NMR and SFG Study of the Side Chain Dynamics of Peptides Adsorbed onto Surfaces

Science.gov (United States)

Breen, Nicholas F.; Weidner, Tobias; Li, Kun; Castner, David G.; Drobny, Gary P.

2011-01-01

The artificial amphiphilic peptide LKα14 adopts a helical structure at interfaces, with opposite orientation of its leucine (L, hydrophobic) and lysine (K, hydrophilic) side chains. When adsorbed onto surfaces, different residue side chains necessarily have different proximities to the surface, depending on both their position in the helix and the composition of the surface itself. Deuterating the individual leucine residues (isopropyl-d7) permits the use of solid-state deuterium NMR as a site-specific probe of side chain dynamics. In conjunction with SFG as a probe of the peptide binding face, we demonstrate that the mobility of specific leucine side chains at the interface is quantifiable in terms of their surface proximity. PMID:19764755

Work function dependence and isotope effect in the production of negative hydrogen ions during sputtering of adsorbed hydrogen on Cs covered Mo(100) surfaces

International Nuclear Information System (INIS)

Yu, M.L.

1977-01-01

The enhancement of the H - yield, during sputtering of adsorbed hydrogen on a Mo(100) surface, by a Cs overlayer was investigated. An exponential dependence of the H - yield on the work function was observed for a wide range of Cs coverages. A simple electron tunneling model was proposed. A large reduction in the ion yield was also observed when D 2 replaced H 2 as the adsorbate

Black molecular adsorber coatings for spaceflight applications

Science.gov (United States)

Abraham, Nithin S.; Hasegawa, Mark M.; Straka, Sharon A.

2014-09-01

The molecular adsorber coating is a new technology that was developed to mitigate the risk of on-orbit molecular contamination on spaceflight missions. The application of this coating would be ideal near highly sensitive, interior surfaces and instruments that are negatively impacted by outgassed molecules from materials, such as plastics, adhesives, lubricants, epoxies, and other similar compounds. This current, sprayable paint technology is comprised of inorganic white materials made from highly porous zeolite. In addition to good adhesion performance, thermal stability, and adsorptive capability, the molecular adsorber coating offers favorable thermal control characteristics. However, low reflectivity properties, which are typically offered by black thermal control coatings, are desired for some spaceflight applications. For example, black coatings are used on interior surfaces, in particular, on instrument baffles for optical stray light control. Similarly, they are also used within light paths between optical systems, such as telescopes, to absorb light. Recent efforts have been made to transform the white molecular adsorber coating into a black coating with similar adsorptive properties. This result is achieved by optimizing the current formulation with black pigments, while still maintaining its adsorption capability for outgassing control. Different binder to pigment ratios, coating thicknesses, and spray application techniques were explored to develop a black version of the molecular adsorber coating. During the development process, coating performance and adsorption characteristics were studied. The preliminary work performed on black molecular adsorber coatings thus far is very promising. Continued development and testing is necessary for its use on future contamination sensitive spaceflight missions.

Adsorbate Diffusion on Transition Metal Nanoparticles

Science.gov (United States)

2015-01-01

correlation is a Bronsted-Evans-Polanyi ( BEP )- type of correlation, similar to other BEP correlations established earlier for surface-catalyzed bond- breaking...bond-making reactions.6-9 The universal BEP -type correlation is independent of the nature of the adsorbed species and that of the metal surface. For...a certain class of surface-catalyzed reactions, the existence of a BEP -type correlation reflects a similarity between the geometry of the transition

Surface and adsorbate structural studies by photoemission in the hν = 50-500 eV range

International Nuclear Information System (INIS)

Shirley, D.A.

1979-08-01

The present status of photoelectron spectroscopy in the 50-500 eV range is discussed in relation to its application to surface science. Instrumentation aspects of synchrotron radiation sources are reviewed. The direct transition model is shown to be applicable in this range with some limitations. Cooper minima and adsorbate sensitivity enhancement for hν > 100 eV are reviewed. A new effect--condensed phase photoelectron asymmetry--is noted. Finally, photoelectron diffraction - another new effect - is described and evaluated

The state of physically adsorbed substances in microporous adsorbents

International Nuclear Information System (INIS)

Fomkin, A.A.

1987-01-01

Xe, Kr, Ar, CF 3 Cl, CH 4 adsorption in NaX microporous zeolite of 0.98 Na 2 OxAl 2 O 3 x2.36SiO 2 x0.02H 2 O is studied. Some properties of adsorbates (density, coefficients of expansion, enthalpy, heat capacity) are determined and discussed. The adsorbate in the microporous adsorbent is shown to be a particular state of a substance. Liniarity of adsorption isosteres and sharp changes during isosteric heat capacity of the adsorbate points to the fact that in microporous adsorbents phase transformations of the second type are possible

The metrics of surface adsorbed small molecules on the Young's fringe dual-slab waveguide interferometer

International Nuclear Information System (INIS)

Cross, Graham H; Reeves, Andrew; Brand, Stuart; Swann, Marcus J; Peel, Louise L; Freeman, Neville J; Lu, Jian R

2004-01-01

A method for analysing thin films using a dual-waveguide interferometric technique is described. Alternate dual polarization addressing of the interferometer sensor using a ferroelectric liquid crystal polarization switch allowed the opto-geometrical properties (density and thickness) of adsorbed layers at a solid-liquid interface to be determined. Differences in the waveguide mode dispersion between the transverse electric and transverse magnetic modes allowed unique combinations of layer thickness and refractive index to be determined at all stages of the layer formation process. The technique has been verified by comparing the analysis of the surface adsorption of surfactants with data obtained using neutron scattering techniques, observing their behaviour on trimethylsilane coated silicon oxynitride surfaces. The data obtained were found to be in excellent agreement with analogous neutron scattering experiments and the precision of the measurements taken to be of the order of 40 pm with respect to adsorbed layer thicknesses. The study was extended to a series of surfactants whose layer morphology could be correlated with their hydrophilicity/lipophilicity balance. Those in the series with longer alkyl chains were observed to form thinner, denser layers at the hydrophobic solid/aqueous liquid interface and the degree of order attained at sub-critical micelle concentrations to be correlated with molecular fluidity. The technique is expected to find utility with those interested in thin film analysis. An important and growing area of application is within the life sciences, especially in the field of protein structure and function

Enhanced binding capacity of boronate affinity adsorbent via surface modification of silica by combination of atom transfer radical polymerization and chain-end functionalization for high-efficiency enrichment of cis-diol molecules

Energy Technology Data Exchange (ETDEWEB)

Wang, Wei; He, Maofang; Wang, Chaozhan; Wei, Yinmao, E-mail: ymwei@nwu.edu.cn

2015-07-30

Boronate affinity materials have been widely used for specific separation and preconcentration of cis-diol molecules, but most do not have sufficient capacity due to limited binding sites on the material surface. In this work, we prepared a phenylboronic acid-functionalized adsorbent with a high binding capacity via the combination of surface-initiated atom transfer radical polymerization (SI-ATRP) and chain-end functionalization. With this method, the terminal chlorides of the polymer chains were used fully, and the proposed adsorbent contains dense boronic acid polymers chain with boronic acid on the chain end. Consequently, the proposed adsorbent possesses excellent selectivity and a high binding capacity of 513.6 μmol g{sup −1} for catechol and 736.8 μmol g{sup −1} for fructose, which are much higher than those of other reported adsorbents. The dispersed solid-phase extraction (dSPE) based on the prepared adsorbent was used for extraction of three cis-diol drugs (i.e., epinephrine, isoprenaline and caffeic acid isopropyl ester) from plasma; the eluates were analyzed by HPLC-UV. The reduced amount of adsorbent (i.e., 2.0 mg) could still eliminate interferences efficiently and yielded a recovery range of 85.6–101.1% with relative standard deviations ranging from 2.5 to 9.7% (n = 5). The results indicated that the proposed strategy could serve as a promising alternative to increase the density of surface functional groups on the adsorbent; thus, the prepared adsorbent has the potential to effectively enrich cis-diol substances in real samples. - Highlights: • Boronate adsorbent is prepared via ATRP and chain-end functionalization. • The adsorbent has quite high binding capacity for cis-diols. • Binding capacity is easily manipulated by ATRP condition. • Chain-end functionalization can improve binding capacity significantly. • Reduced adsorbent is consumed in dispersed solid-phase extraction of cis-diols.

Adsorbability Enhancement of Macroporous Resin by Dielectric Barrier Discharge Plasma Treatment to Phenol in Water

Directory of Open Access Journals (Sweden)

Shoufeng Tang

2016-01-01

Full Text Available In order to enhance the adsorption efficiency and economize the use of macroporous resin, we have treated it with the dielectric barrier discharge (DBD plasma to improve its adsorbing capacity for phenol. The effects of operation conditions, for instance, applied voltage, treated time, and air flow rate on resin, were investigated by adsorption kinetics and isotherms. Results showed that the adsorption data were in good agreement with the pseudo-second-order and Freundlich equation. Experimental results showed that the modified resin was 156.5 mg/g and 39.2% higher than the untreated sample, when the modified conditions were conducted for discharge voltage 20 kV, treatment time 45 min, and air flow rate 1.2 L/min. The resin was characterized by FTIR and nitrogen adsorption isotherms before and after the DBD processes. It was found that the reason for the enhancement of resin adsorbability was attributed to the DBD plasma changing the surface physical and chemical structure.

Design of electric-field assisted surface plasmon resonance system for the detection of heavy metal ions in water

Energy Technology Data Exchange (ETDEWEB)

Kyaw, Htet Htet [Department of Physics, College of Science, Sultan Qaboos University, P. O. Box 36, Al-Khoud 123 (Oman); Boonruang, Sakoolkan, E-mail: sakoolkan.boonruang@nectec.or.th, E-mail: waleed.m@bu.ac.th [Photonics Technology Laboratory, National Electronics and Computer Technology Center (NECTEC), 112 Thailand Science Park, PathumThani 12120 (Thailand); Mohammed, Waleed S., E-mail: sakoolkan.boonruang@nectec.or.th, E-mail: waleed.m@bu.ac.th [Center of Research in Optoelectronics, Communication and Control Systems (BUCROCCS), School of Engineering, Bangkok University, PathumThani 12120 (Thailand); Dutta, Joydeep [Functional Materials Division, School of Information and Communication Technology, KTH Royal Institute of Technology, Isafjordsgatan 22, SE-164 40 Kista, Stockholm (Sweden)

2015-10-15

Surface Plasmon Resonance (SPR) sensors are widely used in diverse applications. For detecting heavy metal ions in water, surface functionalization of the metal surface is typically used to adsorb target molecules, where the ionic concentration is detected via a resonance shift (resonance angle, resonance wavelength or intensity). This paper studies the potential of a possible alternative approach that could eliminate the need of using surface functionalization by the application of an external electric field in the flow channel. The exerted electrical force on the ions pushes them against the surface for enhanced adsorption; hence it is referred to as “Electric-Field assisted SPR system”. High system sensitivity is achieved by monitoring the time dynamics of the signal shift. The ion deposition dynamics are discussed using a derived theoretical model based on ion mobility in water. On the application of an appropriate force, the target ions stack onto the sensor surface depending on the ionic concentration of target solution, ion mass, and flow rate. In the experimental part, a broad detection range of target cadmium ions (Cd{sup 2+}) in water from several parts per million (ppm) down to a few parts per billion (ppb) can be detected.

The hydroxyl species and acid sites on diatomite surface: a combined IR and Raman study

Science.gov (United States)

Yuan, P.; Wu, D. Q.; He, H. P.; Lin, Z. Y.

2004-04-01

Diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), Raman spectroscopy of adsorbed pyridine molecules (Py-Raman) and in situ Py-IR have been used to investigate the hydroxyl species and acid sites on diatomite surfaces. The Lewis (L) and Brønsted (B) acid sites, and various hydroxyl species, including isolated hydroxyl groups, H-bonded hydroxyl groups and physically adsorbed water, are identified. The L acid sites in diatomite samples are resulted from the clay impurities, and the B acid sites are resulted from some moderate strength H-bonded hydroxyl groups. At room temperature, both of the isolated and H-bonded silanols associate with the physically adsorbed water by hydrogen bond. After calcination treatment, physically adsorbed water will be desorbed from the silanols, and the silanols will condense with the increase of temperature. Generally, the H-bonded silanols condense more easily than the isolated ones. The properties of surface hydroxyl species of diatomaceous silica are more similar to precipitated silica rather than fumed silica.

Fe3O4@ionic liquid@methyl orange nanoparticles as a novel nano-adsorbent for magnetic solid-phase extraction of polycyclic aromatic hydrocarbons in environmental water samples.

Science.gov (United States)

Liu, Xiaofei; Lu, Xin; Huang, Yong; Liu, Chengwei; Zhao, Shulin

2014-02-01

A novel nano-adsorbent, Fe3O4@ionic liquid@methyl orange nanoparticles (Fe3O4@IL@MO NPs), was prepared for magnetic solid-phase extraction (MSPE) of polycyclic aromatic hydrocarbons (PAHs) in environmental water samples. The Fe3O4@IL@MO NPs were synthesized by self-assembly of the ionic liquid 1-octadecyl-3-methylimidazolium bromide (C18mimBr) and methyl orange (MO) onto the surface of Fe3O4 silica magnetic nanoparticles, as confirmed by infrared spectroscopy, ultraviolet-visible spectroscopy and superconducting quantum interface device magnetometer. The extraction performance of Fe3O4@IL@MO NPs as a nano-adsorbent was evaluated by using five PAHs, fluorene (FLu), anthracene (AnT), pyrene (Pyr), benzo(a)anthracene (BaA) and benzo(a)pyrene (BaP) as model analytes. Under the optimum conditions, detection limits in the range of 0.1-2 ng/L were obtained by high performance liquid chromatography-fluorescence detection (HPLC-FLD). This method has been successfully applied for the determination of PAHs in environmental water samples by using the MSPE-HPLC-FLD. The recoveries for the five PAHs tested in spiked real water samples were in the range of 80.4-104.0% with relative standard deviations ranging from 2.3 to 4.9%. © 2013 Published by Elsevier B.V.

Characterisation of lignite as an industrial adsorbent

Energy Technology Data Exchange (ETDEWEB)

Ying Qi; Andrew F.A. Hoadley; Alan L. Chaffee; Gil Garnier [Monash University, Clayton, Vic. (Australia). Department of Chemical Engineering

2011-04-15

An alternative use of the abundant and inexpensive lignite (also known as brown coal) as an industrial adsorbent has been characterised. The adsorptive properties of two Victorian lignite without any pre-treatment were investigated using the cationic methylene blue dye as a model compound in aqueous solutions. Two commercial activated carbon products were also studied for comparison. The adsorption equilibrium of the four adsorbents was better described by the Langmuir isotherm model than the Freundlich model. The adsorption capacities of the two untreated lignite adsorbents, Loy Yang and Yallourn, calculated using Langmuir isotherms were 286 and 370 mg/g, respectively, higher than a coconut shell-based activated carbon (167 mg/g), but lower than a coal-based activated carbon (435 mg/g). Surface area results suggested that larger micropores and mesopores were important for achieving good methylene blue adsorption by the activated carbons. However, FTIR and cation exchange capacity analyses revealed that, for the lignite, chemical interactions between lignite surface functional groups and methylene blue molecules occurred, thereby augmenting its adsorption capacity. 63 refs., 3 figs., 7 tabs.

Nano-adsorbents for the removal of metallic pollutants from water and wastewater.

Science.gov (United States)

Sharma, Y C; Srivastava, V; Singh, V K; Kaul, S N; Weng, C H

2009-05-01

Of the variety of adsorbents available for the removal of heavy and toxic metals, activated carbon has been the most popular. A number of minerals, clays and waste materials have been regularly used for the removal of metallic pollutants from water and industrial effluents. Recently there has been emphasis on the application of nanoparticles and nanostructured materials as efficient and viable alternatives to activated carbon. Carbon nanotubes also have been proved effective alternatives for the removal of metallic pollutants from aqueous solutions. Because of their importance from an environmental viewpoint, special emphasis has been given to the removal of the metals Cr, Cd, Hg, Zn, As, and Cu. Separation of the used nanoparticles from aqueous solutions and the health aspects of the separated nanoparticles have also been discussed. A significant number of the latest articles have been critically scanned for the present review to give a vivid picture of these exotic materials for water remediation.

Enhanced arsenic removal from water by hierarchically porous CeO{sub 2}–ZrO{sub 2} nanospheres: Role of surface- and structure-dependent properties

Energy Technology Data Exchange (ETDEWEB)

Xu, Weihong; Wang, Jing; Wang, Lei [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Sheng, Guoping [Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Liu, Jinhuai [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Yu, Hanqing [Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Huang, Xing-Jiu, E-mail: xingjiuhuang@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

2013-09-15

Highlights: • The CeO{sub 2}–ZrO{sub 2} hollow nanospheres had strong affinity and selectivity to arsenic. •The adsorbent showed excellent ability to remove arsenic at low concentrations. • The adsorption mechanism was investigated by FTIR and XPS. • The adsorbent showed potential application for drinking water treatment. -- Abstract: Arsenic contaminated natural water is commonly used as drinking water source in some districts of Asia. To meet the increasingly strict drinking water standards, exploration of efficient arsenic removal methods is highly desired. In this study, hierarchically porous CeO{sub 2}–ZrO{sub 2} nanospheres were synthesized, and their suitability as arsenic sorbents was examined. The CeO{sub 2}–ZrO{sub 2} hollow nanospheres showed an adsorption capacity of 27.1 and 9.2 mg g{sup −1} for As(V) and As(III), respectively, at an equilibrium arsenic concentration of 0.01 mg L{sup −1} (the standard for drinking water) under neutral conditions, indicating a high arsenic removal performance of the adsorbent at low arsenic concentrations. Such a great arsenic adsorption capacity was attributed to the high surface hydroxyl density and presence of hierarchically porous network in the hollow nanospheres. The analysis of Fourier transformed infrared spectra and X-ray photoelectron spectroscopy demonstrated that the adsorption of arsenic on the CeO{sub 2}–ZrO{sub 2} nanospheres was completed through the formation of a surface complex by substituting hydroxyl with arsenic species. In addition, the CeO{sub 2}–ZrO{sub 2} nanospheres were able to remove over 97% arsenic in real underground water with initial arsenic concentration of 0.376 mg L{sup −1} to meet the guideline limit of arsenic in drinking water regulated by the World Health Organization without any pre-treatment and/or pH adjustment.

Characterization of novel adsorbents for radiostrontium reduction in foods

International Nuclear Information System (INIS)

Puziy, A.M.; Bengtsson, G.B.; Hansen, H.S.

1999-01-01

Distribution coefficients, pH dependence, isotherms, kinetics and breakthrough curves of Sr binding have been measured on several types of adsorbents (carbons modified with titanium silicate, crystalline titanium silicate, mixed titanium-manganese oxide, and synthetic zeolites A4 and P) from different water solutions. It is concluded that acid-base properties of the adsorbent is very important for Sr binding. Titanium silicate based adsorbents had reduced chemical stability in an artificial food fluid below pH 2, the mixed titanium manganese oxide below pH 6, zeolite A4 below pH 5 and zeolite P below pH 7. Consideration is given to the feasibility of the adsorbents for food decontamination. (author)

Effect of relative humidity on onset of capillary forces for rough surfaces.

Science.gov (United States)

Zarate, Nyah V; Harrison, Aaron J; Litster, James D; Beaudoin, Stephen P

2013-12-01

Atomic force microscopy (AFM) was used to investigate the effect of relative humidity (RH) on the adhesion forces between silicon nitride AFM probes, hydrophilic stainless steel, and hydrophobic Perspex® (polymethylmethacrylate, PMMA). In addition, AFM-based phase contrast imaging was used to quantify the amount and location of adsorbed water present on these substrates at RH levels ranging from 15% to 65% at 22°C. Both the adhesion forces and the quantities of adsorbed moisture were seen to vary with RH, and the nature of this variation depended on the hydrophobicity of the substrate. For the Perspex®, both the adhesion force and the amount of adsorbed moisture were essentially independent of RH. For the stainless steel substrate, adsorbed moisture increased continuously with increasing RH, while the adhesion force rose from a minimum at 15% RH to a broad maximum between 25% and 35% RH. From 35% to 55% RH, the adhesion force dropped continuously to an intermediate level before rising again as 65% RH was approached. The changes in adhesion force with increasing relative humidity in the case of the stainless steel substrate were attributed to a balance of effects associated with adsorbed, sub-continuum water on the cantilever and steel. Hydrogen bonding interactions between these adsorbed water molecules were thought to increase the adhesion force. However, when significant quantities of molecular water adsorbed, these molecules were expect to decrease adhesion by screening the van der Waals interactions between the steel and the cantilever tip, and by increasing the separation distance between these solid surfaces when they were 'in contact'. Finally, the slight increase in adhesion between 55% and 65% RH was attributed to true capillary forces exerted by continuum water on the two solid surfaces. Copyright © 2013 Elsevier Inc. All rights reserved.

Significantly improving trace thallium removal from surface waters during coagulation enhanced by nanosized manganese dioxide.

Science.gov (United States)

Huangfu, Xiaoliu; Ma, Chengxue; Ma, Jun; He, Qiang; Yang, Chun; Jiang, Jin; Wang, Yaan; Wu, Zhengsong

2017-02-01

Thallium (Tl) is an element of high toxicity and significant accumulation in human body. There is an urgent need for the development of appropriate strategies for trace Tl removal in drinking water treatment plants. In this study, the efficiency and mechanism of trace Tl (0.5 μg/L) removal by conventional coagulation enhanced by nanosized manganese dioxide (nMnO 2 ) were explored in simulated water and two representative surface waters (a river water and a reservoir water obtained from Northeast China). Experimental results showed that nMnO 2 significantly improve Tl(I) removal from selected waters. The removal efficiency was dramatically higher in the simulated water, demonstrating by less than 0.1 μg/L Tl residual. The enhancement of trace Tl removal in the surface waters decreased to a certain extent. Both adjusting water pH to alkaline condition and preoxidation of Tl(I) to Tl(III) benefit trace Tl removal from surface waters. Data also indicated that competitive cation of Ca 2+ decreased the efficiency of trace Tl removal, resulting from the reduction of Tl adsorption on nMnO 2 . Humic acid could largely low Tl removal efficiency during nMnO 2 enhanced coagulation processes. Trace elemental Tl firstly adsorbed on nMnO 2 and then removed accompanying with nMnO 2 settling. The information obtained in the present study may provide a potential strategy for drinking water treatment plants threatened by trace Tl. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multiple sample setup for testing the hydrothermal stability of adsorbents in thermal energy storage applications

International Nuclear Information System (INIS)

Fischer, Fabian; Laevemann, Eberhard

2015-01-01

Thermal energy storage based on adsorption and desorption of water on an adsorbent can achieve high energy storage densities. Many adsorbents lose adsorption capacity when operated under unfavourable hydrothermal conditions during adsorption and desorption. The stability of an adsorbent against stressing hydrothermal conditions is a key issue for its usability in adsorption thermal energy storage. We built an experimental setup that simultaneously controls the hydrothermal conditions of 16 samples arranged in a matrix of four temperatures and four water vapour pressures. This setup allows the testing of potential adsorbents between temperatures of 50 °C and 350 °C and water vapour pressures of up to 32 kPa. A measurement procedure that allows the detection of the hydrothermal stability of an adsorbent after defined time spans has been designed. We verified the functionality of the multiple sample measurements with a microporous adsorbent, a zeolite NaMSX. The hydrothermal stability of this zeolite is tested by water uptake measurements. A standard deviation lower than 1% of the 16 samples for detecting the hydrothermal stability enables setting different conditions in each sample cell. Further, we compared the water uptake measurements by measuring their adsorption isotherms with the volumetric device BELSORP Aqua 3 from Bel Japan. (paper)

Kinetic studies of adsorption in the bioethanol dehydration using polyvinyl alcohol, zeolite and activated carbon as adsorbent

Science.gov (United States)

Laksmono, J. A.; Pratiwi, I. M.; Sudibandriyo, M.; Haryono, A.; Saputra, A. H.

2017-11-01

Bioethanol is considered as the most promising alternative fuel in the future due to its abundant renewable sources. However, the result of bioethanol production process using fermentation contains 70% v/v, and it still needs simultaneous purification process. One of the most energy-efficient purification methods is adsorption. Specifically, the rate of adsorption is an important factor for evaluating adsorption performance. In this work, we have conducted an adsorption using polyvinyl alcohol (PVA), zeolite and activated carbon as promising adsorbents in the bioethanol dehydration. This research aims to prove that PVA, zeolite, activated carbon is suitable to be used as adsorbent in bioethanol dehydration process through kinetics study and water adsorption selectivity performance. According to the results, PVA, zeolite and activated carbon are the potential materials as adsorbents in the bioethanol dehydration process. The kinetics study shows that 30°C temperature gave the optimum adsorption kinetics rate for PVA, zeolite, and activated carbon adsorbents which were 0.4911 min-1; 0.5 min-1; and 1.1272 min-1 respectively. In addition, it also shows that the activated carbon performed as a more potential adsorbent due to its higher pore volume and specific surface area properties. Based on the Arrhenius equation, the PVA works in the chemisorption mechanism, meanwhile zeolite and activated carbon work in the physisorption system as shown in the value of the activation energy which are 51.43 kJ/mole; 8.16 kJ/mole; and 20.30 kJ/mole. Whereas the water to ethanol selectivity study, we discover that zeolite is an impressive adsorbent compared to the others due to the molecular sieving characteristic of the material.

pH-controlled quaternary ammonium herbicides capture/release by carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents: Mechanisms and application

Energy Technology Data Exchange (ETDEWEB)

Liu, Chang; Wang, Peng [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China); Shen, Zhigang [Zhong Nong Fa Seed Industry Group Co. Ltd, Beijing 600313 (China); Liu, Xueke; Zhou, Zhiqiang [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China); Liu, Donghui, E-mail: liudh@cau.edu.cn [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China)

2015-12-11

In our work, the pH-controlled magnetic solid phase extraction for the determination of paraquat and diquat was introduced firstly. Furthermore, to clarify the mechanism of carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents, we studied the pH-responsive supramolecular interaction between carboxymethyl-β-cyclodextrin (CM-β-CD) and paraquat/diquat by ultraviolet–visible (UV–vis) spectroscopy and nuclear magnetic resonance (NMR) experiment, and the energy-minimized structures were also obtained. Then, the functional group CM-β-CD was modified on the surface of magnetic materials to synthesize the adsorbent. The Fourier transform infrared spectrum (FT-IR) results proved the successful modification of CM-β-CD. Thus, this absorbent was applied for the determination of paraquat and diquat in water. Under the optimal condition, limits of detection (LODs) of paraquat and diquat were 0.8 μg L{sup −1} and 0.9 μg L{sup −1}, relative standard deviations (RSD) and recoveries varied 0.7–4.6% and 86.5–106.6%, respectively. Good recoveries (70.2–100.0%) and low RSD (1.7–9.6%) were achieved in analyzing spiked water samples. Furthermore, with the capillary electrophoresis (CE) as the analyser, the whole analytical process did not need the attendance of organic solvents. - Highlights: • The carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents were synthesized. • The adsorbents could capture or release quaternary ammonium herbicides by changing pH. • The adsorbents were applied in the analysis of real water samples. • There is no attendance of organic solvents in the whole analysis process.

Application of low-cost adsorbents for dye removal--a review.

Science.gov (United States)

Gupta, V K; Suhas

2009-06-01

Dyes are an important class of pollutants, and can even be identified by the human eye. Disposal of dyes in precious water resources must be avoided, however, and for that various treatment technologies are in use. Among various methods adsorption occupies a prominent place in dye removal. The growing demand for efficient and low-cost treatment methods and the importance of adsorption has given rise to low-cost alternative adsorbents (LCAs). This review highlights and provides an overview of these LCAs comprising natural, industrial as well as synthetic materials/wastes and their application for dyes removal. In addition, various other methods used for dye removal from water and wastewater are also complied in brief. From a comprehensive literature review, it was found that some LCAs, in addition to having wide availability, have fast kinetics and appreciable adsorption capacities too. Advantages and disadvantages of adsorbents, favourable conditions for particular adsorbate-adsorbent systems, and adsorption capacities of various low-cost adsorbents and commercial activated carbons as available in the literature are presented. Conclusions have been drawn from the literature reviewed, and suggestions for future research are proposed.

Water formation via HCl oxidation on Cu(1 0 0)

Energy Technology Data Exchange (ETDEWEB)

Suleiman, Ibrahim A., E-mail: isuleman@taibahu.edu.sa [College of Engineering, Taibah University, Yanbu 41911 (Saudi Arabia); Radny, Marian W. [School of Mathematical and Physical Sciences, The University of Newcastle, Callaghan, NSW 2308 (Australia); Institute of Physics, Poznan University of Technology, 62-956 Poznan (Poland); Gladys, Michael J.; Smith, Phillip V. [School of Mathematical and Physical Sciences, The University of Newcastle, Callaghan, NSW 2308 (Australia); Mackie, John C. [School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia); School of Chemistry, The University of Sydney (Australia); Stockenhuber, Michael; Kennedy, Eric M. [School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia); Dlugogorski, Bogdan Z. [School of Engineering, The University of Newcastle, Callaghan, NSW 2308 (Australia); School of Engineering and Information Technology, Murdoch University, Perth (Australia)

2014-04-01

Graphical abstract: This work investigates water formation on the Cu(1 0 0) surface via HCl oxidation using density functional theory and periodic slabs. We show that there are two different pathways for water formation on the surface depending on the temperature and oxygen coverage. - Highlights: • Pre-adsorbed chlorine increases the stability of water on Cu(1 0 0). • Two different pathways describe water formation on Cu(1 0 0) via HCl oxidation. • The mechanism of H{sub 2}O formation depends on the temperature and oxygen coverage. - Abstract: Using density functional theory and periodic slabs, we have studied water formation via HCl oxidation on the Cu(1 0 0) surface. We show that while adsorbed chlorine increases the stability of water on the Cu(1 0 0) surface, water molecules dissociate immediately when located next to an oxygen atom. We also show that these competing interactions, when arising from HCl reacting with oxygen on Cu(1 0 0), lead to water formation according to two different pathways depending on the temperature and oxygen coverage.

Band energy control of molybdenum oxide by surface hydration

Energy Technology Data Exchange (ETDEWEB)

Butler, Keith T., E-mail: k.t.butler@bath.ac.uk; Walsh, Aron [Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Crespo-Otero, Rachel [School of Biological and Chemical Sciences, Queen Mary University London, Mile End Road, London E1 4NS (United Kingdom); Buckeridge, John; Scanlon, David O. [University College London, Kathleen Lonsdale Materials Chemistry, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Bovill, Edward; Lidzey, David [Department of Physics and Astronomy, University of Sheffield, Hicks Building, Hounsfield Road, Sheffield S3 7RH (United Kingdom)

2015-12-07

The application of oxide buffer layers for improved carrier extraction is ubiquitous in organic electronics. However, the performance is highly susceptible to processing conditions. Notably, the interface stability and electronic structure is extremely sensitive to the uptake of ambient water. In this study we use density functional theory calculations to asses the effects of adsorbed water on the electronic structure of MoO{sub x}, in the context of polymer-fullerene solar cells based on PCDTBT. We obtain excellent agreement with experimental values of the ionization potential for pristine MoO{sub 3} (010). We find that IP and EA values can vary by as much as 2.5 eV depending on the oxidation state of the surface and that adsorbed water can either increase or decrease the IP and EA depending on the concentration of surface water.

13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

International Nuclear Information System (INIS)

Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-01-01

Highlights: • 13 C NMR and XPS were successfully used to characterize quaternary ammonium groups in the surface of crop straw based anion adsorbents. • The results obtained from different kinds of crop straw material clearly confirmed the presence of quaternary ammonium groups. • The composition of C-groups and N-groups also were determined by curving fitting of high-resolution XPS C1 and N1 spectra. - Abstract: Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13 C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13 C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent’s surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13 C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

Surface Water & Surface Drainage

Data.gov (United States)

Earth Data Analysis Center, University of New Mexico — This data set contains boundaries for all surface water and surface drainage for the state of New Mexico. It is in a vector digital data structure digitized from a...

Evaluation of an ambient air sampling system for tritium (as tritiated water vapor) using silica gel adsorbent columns

International Nuclear Information System (INIS)

Patton, G.W.; Cooper, A.T.; Tinker, M.R.

1995-08-01

Ambient air samples for tritium analysis (as the tritiated water vapor [HTO] content of atmospheric moisture) are collected for the Hanford Site Surface Environmental Surveillance Project (SESP) using the solid adsorbent silica gel. The silica gel has a moisture sensitive indicator which allows for visual observation of moisture movement through a column. Despite using an established method, some silica gel columns showed a complete change in the color indicator for summertime samples suggesting that breakthrough had occurred; thus a series of tests was conducted on the sampling system in an environmental chamber. The purpose of this study was to determine the maximum practical sampling volume and overall collection efficiency for water vapor collected on silica gel columns. Another purpose was to demonstrate the use of an impinger-based system to load water vapor onto silica gel columns to provide realistic analytical spikes and blanks for the Hanford Site SESP. Breakthrough volumes (V b ) were measured and the chromatographic efficiency (expressed as the number of theoretical plates [N]) was calculated for a range of environmental conditions. Tests involved visual observations of the change in the silica gel's color indicator as a moist air stream was drawn through the column, measurement of the amount of a tritium tracer retained and then recovered from the silica gel, and gravimetric analysis for silica gel columns exposed in the environmental chamber

Presence of Fe-Al binary oxide adsorbent cake layer in ceramic membrane filtration and their impact for removal of HA and BSA.

Science.gov (United States)

Kim, Kyung-Jo; Jang, Am

2018-04-01

To enhance the removal of natural organic matter (NOM) in ceramic (Ce) membrane filtration, an iron-aluminum binary oxide (FAO) was applied to the ceramic membrane surface as the adsorbent cake layer, and it was compared with heated aluminum oxide (HAO) for the evaluation of the control of NOM. Both the HAO and FAO adsorbent cake layers efficiently removed the NOM regardless of NOM's hydrophobic/hydrophilic characteristics, and the dissolved organic carbon (DOC) removal in NOM for FAO was 1-1.12 times greater than that for HAO, which means FAO was more efficient in the removal of DOC in NOM. FAO (0.03 μm), which is smaller in size than HAO (0.4 μm), had greater flux reduction than HAO. The flux reduction increased as the filtration proceeded because most of the organic foulants (colloid/particles and soluble NOM) were captured by the adsorbent cake layer, which caused fouling between the membrane surface and the adsorbent cake layer. However, no chemically irreversible fouling was observed on the Ce membrane at the end of the FAO adsorbent cake layer filtration. This means that a stable adsorbent cake layer by FAO formed on the Ce membrane, and that the reduced pure water flux of the Ce membrane, resulting from the NOM fouling, can easily be recovered through physicochemical cleaning. Copyright © 2018 Elsevier Ltd. All rights reserved.

Soil and surface layer type affect non-rainfall water inputs

Science.gov (United States)

Agam, Nurit; Berliner, Pedro; Jiang, Anxia

2017-04-01

Non-rainfall water inputs (NRWIs), which include fog deposition, dew formation, and direct water vapor adsorption by the soil, play a vital role in arid and semiarid regions. Environmental conditions, namely radiation, air temperature, air humidity, and wind speed, largely affect the water cycle driven by NRWIs. The substrate type (soil type and the existence/absence of a crust layer) may as well play a major role. Our objective was to quantify the effects of soil type (loess vs. sand) and surface layer (bare vs. crusted) on the gain and posterior evaporation of NRWIs in the Negev Highlands throughout the dry summer season. Four undisturbed soil samples (20 cm diameter and 50 cm depth) were excavated and simultaneously introduced into a PVC tube. Two samples were obtained in the Negev's Boker plain (loess soil) and two in the Nizzana sand dunes in the Western Negev. On one sample from each site the crust was removed while on the remaining one the natural crust was left in place. The samples were brought to the research site at the Jacob Bluestein Institutes for Desert Research, Ben-Gurion University of the Negev, Israel (31˚08' N, 34˚53' E, 400 meter above the sea level) where they were exposed to the same environmental conditions. The four samples in their PVC tubes were placed on top of scales and the samples mass was continuously monitored. Soil temperatures were monitored at depths of 1, 2, 3, 5 and10 cm in each microlysimeter (ML) using Copper-Constantan thermocouples. The results of particle size distribution indicated that the crust of the loess soil is probably a physical crust, i.e., a crust that forms due to raindroplets impact; while the crust on the sand soil is biological. On most days, the loess soils adsorbed more water than their corresponding sand soil samples. For both soils, the samples for which the crust was removed adsorbed more water than the samples for which it was intact. The difference in daily water adsorption amount between crusted

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

Science.gov (United States)

Litman, Yair; Donadio, Davide; Ceriotti, Michele; Rossi, Mariana

2018-03-01

Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of these systems. In this work, we explore the impact of NQEs on the dissociation of water wires on stepped Pt(221) surfaces. By performing ab initio molecular dynamics simulations with van der Waals corrected density functional theory, we note that several competing minima for both intact and dissociated structures are accessible at finite temperatures, making it important to assess whether harmonic estimates of the quantum free energy are sufficient to determine the relative stability of the different states. We thus perform ab initio path integral molecular dynamics (PIMD) in order to calculate these contributions taking into account the conformational entropy and anharmonicities at finite temperatures. We propose that when adsorption is weak and NQEs on the substrate are negligible, PIMD simulations can be performed through a simple partition of the system, resulting in considerable computational savings. We then calculate the full contribution of NQEs to the free energies, including also anharmonic terms. We find that they result in an increase of up to 20% of the quantum contribution to the dissociation free energy compared with the harmonic estimates. We also find that the dissociation process has a negligible contribution from tunneling but is dominated by zero point energies, which can enhance the rate of dissociation by three orders of magnitude. Finally we highlight how both temperature and NQEs indirectly impact dipoles and the redistribution of electron density, causing work function changes of up to 0.4 eV with respect to static estimates. This quantitative determination of the change in the work function provides a possible approach to determine experimentally the most stable configurations of water

Nanostructured Block Polymer Membranes as High Capacity Adsorbers for the Capture of Metal Ions from Water

Science.gov (United States)

Boudouris, Bryan; Weidman, Jacob; Mulvenna, Ryan; Phillip, William

The efficient removal of metal ions from aqueous streams is of significant import in applications ranging from industrial waste treatment to the purification of drinking water. An emerging paradigm associated with this separation is one that utilizes membrane adsorbers as a means by which to bind metal salt contaminants. Here, we demonstrate that the casting of an A-B-C triblock polymer using the self-assembly and non-solvent induced phase separation (SNIPS) methodology results in a nanoporous membrane geometry. The nature of the triblock polymer affords an extremely high density of binding sites within the membrane. As such, we demonstrate that the membranes with binding capacities equal to that of state-of-the-art packed bed columns. Moreover, because the affinity of the C moiety can be tuned, highly selective binding events can occur based solely on the chemistry of the block polymer and the metal ions in solution (i.e., in a manner that is independent of the size of the metal ions). Due to these combined facts, these membranes efficiently remove heavy metal (e.g., lead- and cadmium-based) salts from contaminated water streams with greater than 95% efficiency. Finally, we show that the membranes can be regenerated through a simple treatment in order to provide long-lasting adsorber systems as well. Thus, it is anticipated that these nanostructured triblock polymer membranes are a platform by which to obtain next-generation water purification processes.

Enhanced sorption of radiocobalt from water by Bi(III) modified montmorillonite: A novel adsorbent

International Nuclear Information System (INIS)

Guo Zhiqiang; Li Yuan; Zhang Shouwei; Niu Haihong; Chen Zhesheng; Xu Jinzhang

2011-01-01

Highlights: → Bi-Mt has higher surface area than Ca-Mt. → The sorption of Co(II) on Bi-Mt is dependent on ionic strength and pH. → The sorption of Co(II) on Bi-Mt is an spontaneous and endothermic process. → Bi-Mt has good practical application potential in wastewater disposal. - Abstract: In this study, Ca-montmorillonite (Ca-Mt) modified with Bi 3+ was used as a novel adsorbent for the sorption of Co(II) from aqueous solutions. The sorption of Co(II) on Bi-montmorillonite (Bi-Mt) was investigated as a function of contact time, pH, ionic strength, adsorbent content, Co(II) concentrations, fulvic acid (FA) and temperature. Compared to Ca-Mt, Bi-Mt showed a higher affinity to bind Co(II) ions. The sorption percentage of Co(II) on Bi-Mt increased with increasing pH at pH 3.0-8.5, and then maintained the high level at pH 8.5-12. The sorption of Co(II) on Bi-Mt was dependent on ionic strength at low pH, and independent of ionic strength at high pH. The presence of FA enhanced Co(II) sorption at low pH, but suppressed Co(II) sorption at high pH. The thermodynamic data derived from temperature dependent sorption isotherms suggested that the sorption of Co(II) on Bi-Mt was spontaneous and endothermic process. Outer-sphere surface complexation and/or ion exchange were the main mechanisms of Co(II) sorption on Bi-Mt at low pH, whereas inner-sphere surface complexation was the main sorption mechanism at high pH. From the experimental results, it is possible to conclude that Bi-Mt is suitable for application of Co(II) removal from aqueous solutions.

Novel ion-molecular surface reaction to result in CH3 adsorbates on (111) surface of chemical vapor deposition diamond from ethane and surface anionic sites

International Nuclear Information System (INIS)

Komatsu, Shojiro; Okada, Katsuyuki; Shimizu, Yoshiki; Moriyoshi, Yusuke

2001-01-01

The existence of CH 3 adsorbates on (111) surface of chemical vapor deposited diamond, which was observed by scanning tunneling microscopy, was explained by the following S N 2 (bimolecular, substitutional, and nucleophilic) type surface reaction; C(s) - +C 2 H 6 ->C(s)-CH 3 +CH 3 - , where C(s) denotes a surface carbon atom. The activation energy was estimated to be 36.78 kcal/mol and the reaction proved to be exothermic with the enthalpy change of -9.250 kcal/mol, according to ab initio molecular orbital calculations at MP2/3-21+G * //RHF/3-21G * level; this result is consistent with typical substrate temperatures, namely about 900 degree C, for chemical vapor deposition of diamond. Charge transfer from the highest occupied molecular orbital of the surface anionic site to the lowest unoccupied molecular orbital of ethane, that is antibonding at the CH 3 - CH 3 bond, has been clearly visualized. A characteristic configuration of an ethane molecule which is associated with an anionic vacant site C(s) - on hydrogenated (111) surface of diamond was also found. [copyright] 2001 American Institute of Physics

Liberation of Adsorbed and Co-Precipitated Arsenic from Jarosite, Schwertmannite, Ferrihydrite, and Goethite in Seawater

Directory of Open Access Journals (Sweden)

Rodrigo Alarcón

2014-07-01

Full Text Available Sea level rise is able to change the geochemical conditions in coastal systems. In these environments, transport of contaminants can be controlled by the stability and adsorption capacity of iron oxides. The behavior of adsorbed and co-precipitated arsenic in jarosite, schwertmannite, ferrihydrite, and goethite in sea water (common secondary minerals in coastal tailings was investigated. The aim of the investigation was to establish As retention and transport under a marine flood scenario, which may occur due to climate change. Natural and synthetic minerals with co-precipitated and adsorbed As were contacted with seawater for 25 days. During this period As, Fe, Cl, SO4, and pH levels were constantly measured. The larger retention capability of samples with co-precipitated As, in relation with adsorbed As samples, reflects the different kinetics between diffusion, dissolution, and surface exchange processes. Ferrihydrite and schwertmannite showed good results in retaining arsenic, although schwertmannite holding capacity was enhanced due its buffering capacity, which prevented reductive dissolution throughout the experiment. Arsenic desorption from goethite could be understood in terms of ion exchange between oxides and electrolytes, due to the charge difference generated by a low point-of-zero-charge and the change in stability of surface complexes between synthesis conditions and natural media.

Adsorption of water and carbon dioxide on hematite and consequences for possible hydrate formation.

Science.gov (United States)

Kvamme, Bjørn; Kuznetsova, Tatiana; Kivelae, Pilvi-Helina

2012-04-07

The interest in carbon dioxide for enhanced oil recovery is increasing proportional to the decline in naturally driven oil production and also due to the increasing demand for reduced emission of carbon dioxide into the atmosphere. Transport of carbon dioxide in offshore pipelines involves high pressure and low temperatures, conditions which may lead to formation of hydrates from residual water dissolved in carbon dioxide and carbon dioxide. The critical question is whether the water at certain temperatures and pressures will drop out as liquid droplets first, and then form hydrates, or alternatively, adsorb on the pipeline surfaces, and subsequently form hydrates heterogeneously. In this work, we used several different basis sets of density functional theory in ab initio calculations to estimate the charge distribution of hematite (the dominating component of rust) crystals. These rust particles were embedded in water and chemical potential for adsorbed water molecules was estimated through thermodynamic integration and compared to similar estimates for water clusters of the same size. While the generated charges were not unique, the use of high order approximations and different basis sets provides a range of likely charge distributions. Values obtained for the chemical potential of water in different surroundings indicated that it would be thermodynamically favorable for water to adsorb on hematite, and that evaluation of potential carbon dioxide hydrate formation conditions and kinetics should be based on this formation mechanism. Depending on the basis set and approximations, the estimated gain for water to adsorb on the hematite surface rather than condense as droplets varied between -1.7 kJ mole(-1) and -3.4 kJ mole(-1). The partial charge distribution on the hematite surface is incompatible with the hydrate structure, and thus hydrates will be unable to attach to the surface. The behavior of water outside the immediate vicinity of hematite (beyond 3

Production of Flocculants, Adsorbents, and Dispersants from Lignin.

Science.gov (United States)

Chen, Jiachuan; Eraghi Kazzaz, Armin; AlipoorMazandarani, Niloofar; Hosseinpour Feizi, Zahra; Fatehi, Pedram

2018-04-10

Currently, lignin is mainly produced in pulping processes, but it is considered as an under-utilized chemical since it is being mainly used as a fuel source. Lignin contains many hydroxyl groups that can participate in chemical reactions to produce value-added products. Flocculants, adsorbents, and dispersants have a wide range of applications in industry, but they are mainly oil-based chemicals and expensive. This paper reviews the pathways to produce water soluble lignin-based flocculants, adsorbents, and dispersants. It provides information on the recent progress in the possible use of these lignin-based flocculants, adsorbents, and dispersants. It also critically discusses the advantages and disadvantages of various approaches to produce such products. The challenges present in the production of lignin-based flocculants, adsorbents, and dispersants and possible scenarios to overcome these challenges for commercial use of these products in industry are discussed.

Batch and column adsorption of herbicide fluroxypyr on different types of activated carbons from water with varied degrees of hardness and alkalinity.

Science.gov (United States)

Pastrana-Martínez, L M; López-Ramón, M V; Fontecha-Cámara, M A; Moreno-Castilla, C

2010-02-01

There has been little research into the effects of the water hardness and alkalinity of surface waters on the adsorption of herbicides on activated carbons. The aim of this study was to determine the influence of these water characteristics on fluroxypyr adsorption on different activated carbons. At low fluroxypyr surface concentrations, the amount adsorbed from distilled water was related to the surface hydrophobicity. Surface area of carbons covered by fluroxypyr molecules ranged from 60 to 65%. Variations in fluroxypyr solubility with water hardness and alkalinity showed a salting-in effect. Calcium, magnesium and bicarbonate ions were adsorbed to a varied extent on the activated carbons. The presence of fluroxypyr in solution decreased their adsorption due to a competition effect. K(F) from the Freundlich equation linearly increased with water hardness due to salt-screened electrostatic repulsions between charged fluroxypyr molecules. The amount adsorbed from distilled water was largest at high fluroxypyr solution concentrations, because there was no competition between inorganic ions and fluroxypyr molecules. The column breakthrough volume and the amount adsorbed at breakthrough were smaller in tap versus distilled water. Carbon consumption was lower with activated carbon cloth than with the use of granular activated carbon. (c) 2009 Elsevier Ltd. All rights reserved.

Modeling Wettability Variation during Long-Term Water Flooding

Directory of Open Access Journals (Sweden)

Renyi Cao

2015-01-01

Full Text Available Surface property of rock affects oil recovery during water flooding. Oil-wet polar substances adsorbed on the surface of the rock will gradually be desorbed during water flooding, and original reservoir wettability will change towards water-wet, and the change will reduce the residual oil saturation and improve the oil displacement efficiency. However there is a lack of an accurate description of wettability alternation model during long-term water flooding and it will lead to difficulties in history match and unreliable forecasts using reservoir simulators. This paper summarizes the mechanism of wettability variation and characterizes the adsorption of polar substance during long-term water flooding from injecting water or aquifer and relates the residual oil saturation and relative permeability to the polar substance adsorbed on clay and pore volumes of flooding water. A mathematical model is presented to simulate the long-term water flooding and the model is validated with experimental results. The simulation results of long-term water flooding are also discussed.

Theoretical Insight of Physical Adsorption for a Single Component Adsorbent + Adsorbate System: II. The Henry Region