Hydrogen adsorption and desorption with 3D silicon nanotube-network and film-network structures: Monte Carlo simulations

International Nuclear Information System (INIS)

Li, Ming; Kang, Zhan; Huang, Xiaobo

2015-01-01

Hydrogen is clean, sustainable, and renewable, thus is viewed as promising energy carrier. However, its industrial utilization is greatly hampered by the lack of effective hydrogen storage and release method. Carbon nanotubes (CNTs) were viewed as one of the potential hydrogen containers, but it has been proved that pure CNTs cannot attain the desired target capacity of hydrogen storage. In this paper, we present a numerical study on the material-driven and structure-driven hydrogen adsorption of 3D silicon networks and propose a deformation-driven hydrogen desorption approach based on molecular simulations. Two types of 3D nanostructures, silicon nanotube-network (Si-NN) and silicon film-network (Si-FN), are first investigated in terms of hydrogen adsorption and desorption capacity with grand canonical Monte Carlo simulations. It is revealed that the hydrogen storage capacity is determined by the lithium doping ratio and geometrical parameters, and the maximum hydrogen uptake can be achieved by a 3D nanostructure with optimal configuration and doping ratio obtained through design optimization technique. For hydrogen desorption, a mechanical-deformation-driven-hydrogen-release approach is proposed. Compared with temperature/pressure change-induced hydrogen desorption method, the proposed approach is so effective that nearly complete hydrogen desorption can be achieved by Si-FN nanostructures under sufficient compression but without structural failure observed. The approach is also reversible since the mechanical deformation in Si-FN nanostructures can be elastically recovered, which suggests a good reusability. This study may shed light on the mechanism of hydrogen adsorption and desorption and thus provide useful guidance toward engineering design of microstructural hydrogen (or other gas) adsorption materials

Hydrogen storage capacity of titanium met-cars

International Nuclear Information System (INIS)

Akman, N; Durgun, E; Yildirim, T; Ciraci, S

2006-01-01

The adsorption of hydrogen molecules on the titanium metallocarbohedryne (met-car) cluster has been investigated by using the first-principles plane wave method. We have found that, while a single Ti atom at the corner can bind up to three hydrogen molecules, a single Ti atom on the surface of the cluster can bind only one hydrogen molecule. Accordingly, a Ti 8 C 12 met-car can bind up to 16 H 2 molecules and hence can be considered as a high-capacity hydrogen storage medium. Strong interaction between two met-car clusters leading to the dimer formation can affect H 2 storage capacity slightly. Increasing the storage capacity by directly inserting H 2 into the met-car or by functionalizing it with an Na atom have been explored. It is found that the insertion of neither an H 2 molecule nor an Na atom could further promote the H 2 storage capacity of a Ti 8 C 12 cluster. We have also tested the stability of the H 2 -adsorbed Ti 8 C 12 met-car with ab initio molecular dynamics calculations which have been carried out at room temperature

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations.

Science.gov (United States)

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling; Zhang, Cairong

2017-08-02

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H₂ molecules is four with the average adsorption energy of -0.429 eV/H₂. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of -0.296 eV/H₂. The adsorption of H₂ molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H₂ molecules and positively charged Sc atoms.

Hydrogen Adsorption on Nanoporous Biocarbon

Science.gov (United States)

Wood, M. B.; Burress, J. W.; Lapilli, C. M.; Pfeifer, P.; Shah, P. S.; Suppes, G. J.; Dillon, A. C.; Parilla, P. A.

2007-03-01

As a part of the Alliance for Collaborative Research in Alternative Fuel Technology (http://all-craft.missouri.edu) we study activated carbons made from corncob, optimized for storing methane and hydrogen (H2) by physisorption at low pressure. We report here: (a) storage capacities of 73-91 g H2/kg carbon at 77 K and 47 bar, validated in three different laboratories (the 2010 DOE target is 60 g H2/kg system); (b) binding energies from H2 adsorption isotherms (c) temperature-programmed desorption data; (d) degree of graphitization of the carbon surface from Raman spectra; (e) pore structure of carbon from nitrogen and methane adsorption isotherms, and small-angle x-ray scattering. The structural analysis shows that the carbon is highly microporous and that the pore space is highly correlated (micropores do not scatter independently).

Hydrogen adsorption in metal-decorated silicon carbide nanotubes

Science.gov (United States)

Singh, Ram Sevak; Solanki, Ankit

2016-09-01

Hydrogen storage for fuel cell is an active area of research and appropriate materials with excellent hydrogen adsorption properties are highly demanded. Nanotubes, having high surface to volume ratio, are promising storage materials for hydrogen. Recently, silicon carbide nanotubes have been predicted as potential materials for future hydrogen storage application, and studies in this area are ongoing. Here, we report a systematic study on hydrogen adsorption properties in metal (Pt, Ni and Al) decorated silicon carbide nanotubes (SiCNTs) using first principles calculations based on density functional theory. The hydrogen adsorption properties are investigated by calculations of adsorption energy, electronic band structure, density of states (DOS) and Mulliken charge population analysis. Our findings show that hydrogen adsorptions on Pt, Ni and Al-decorated SiCNTs undergo spontaneous exothermic reactions with significant modulation of electronic structure of SiCNTs in all cases. Importantly, according to the Mulliken charge population analysis, dipole-dipole interaction causes chemisorptions of hydrogen in Pt, Ni and Al decorated SiCNTs with formation of chemical bonds. The study is a platform for the development of metal decorated SiCNTs for hydrogen adsorption or hydrogen storage application.

Monte-Carlo Simulation of Hydrogen Adsorption in Single-Wall Carbon Nano-Cones

Directory of Open Access Journals (Sweden)

Zohreh Ahadi

2011-01-01

Full Text Available The properties of hydrogen adsorption in single-walled carbon nano-cones are investigated in detail by Monte Carlo simulations. A great deal of our computational results show that the hydrogen storage capacity in single-walled carbon nano-cones is slightly smaller than the capacity of single-walled carbon nanotubes at any time at the same conditions. This indicates that the hydrogen storage capacity of single-walled carbon nano-cones is related to angles of carbon nano-cones. It seems that these type of nanotubes could not exceed the 2010 goal of 6 wt%, which is presented by the U.S. Department of Energy. In addition, these results are discussed in theory.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

Directory of Open Access Journals (Sweden)

Yuhong Chen

2017-08-01

Full Text Available The generalized gradient approximation (GGA function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG. It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms.

Fugitive gas adsorption capacity of biomass and animal-manure derived biochars

Science.gov (United States)

This research characterized and investigated ammonia and hydrogen sulfide gas adsorption capacities of low- and high-temperature biochars made from wood shavings and chicken litter. The biochar samples were activated with steam or phosphoric acid. The specific surface areas and pore volumes of the a...

Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

International Nuclear Information System (INIS)

Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

2010-01-01

A simple hydrogen adsorption measurement system utilizing the volumetric differential pressure technique has been designed, fabricated and calibrated. Hydrogen adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will be helpful in understanding the adsorption property of the studied carbon materials using the fundamentals of adsorption theory. The principle of the system follows the Sievert-type method. The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range, R1, S1, S2, and S3 having known fixed volume. The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operating pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. High purity hydrogen is being used in the system and the amount of samples for the study is between 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of the adsorption process by eliminating the errors caused by temperature expansion effects and other non-adsorption related phenomena. The ideal gas equation of state is applied to calculate the hydrogen adsorption capacity based on the differential pressure measurements. Activated carbon with a surface area of 644.87 m 2 /g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m 2 /g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption

Adsorption of triton X100 and potassium hydrogen phthalate on granular activated carbon from date pits

Energy Technology Data Exchange (ETDEWEB)

Merzougui, Z.; Nedjah, S.; Azoudj, Y.; Addoun, F. [Laboratoire d' etude physic-chimique des materiaux et application a l' environnement, Faculte de Chimie, USTHB (Algeria)], E-mail: zmerzougi@yahoo.fr

2011-07-01

Activated carbons, thanks to their versatility, are being used in the water treatment sector to absorb pollutants. Several factors influence the adsorption capacity of activated carbon and the aim of this study was to assess the effects of the porous texture and chemical nature of activated carbons on the adsorption of triton X100 and potassium hydrogen phthalate. Activated carbons used in this study were prepared from date pits with ZnCl2, KOH and H3PO4 by carbonization without adjuvant and adsorption of triton X100 and potassium hydrogen phthalate was conducted at 298K. Results showed that activated carbons prepared from date pits have a great potential for removing organic and inorganic pollutants from water and that the adsorption potential depends on the degree of activation of the activated carbons and on the compounds to absorb. This study highlighted that an increase of the carbon surface area and porosity results in a better adsorption capacity.

Hydrogen purification by periodic adsorption

Energy Technology Data Exchange (ETDEWEB)

Barg, Christian; Secchi, Argimiro R.; Trierweiler, Jorge O. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Dept. de Engenharia Quimica]. E-mail: cbarg@enq.ufrgs.br; arge@enq.ufrgs.br; jorge@enq.ufrgs.br

2000-07-01

The periodic adsorption processes have been widely used for industrial applications, mainly because it spends less energy than the usual gas separation processes, like the cryogenic distillation. The largest commercial application of periodic adsorption processes is the pressure swing adsorption (PSA) applied to hydrogen purification. Although its wide use in the chemical and petrochemical industry, there are no reports in the open literature about complete modeling studies of a complex commercial unit, with multiple adsorbents and multiple beds and several feed components. This study has as objective the modeling, optimization and dynamical analysis of an industrial PSA unit for hydrogen purification. (author)

A comparative analysis of the cryo-compression and cryo-adsorption hydrogen storage methods

Energy Technology Data Exchange (ETDEWEB)

Petitpas, G [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benard, P [Universite du Quebec a Trois-Rivieres (Canada); Klebanoff, L E [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, J [Universite du Quebec a Trois-Rivieres (Canada); Aceves, S M [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2014-07-01

While conventional low-pressure LH₂ dewars have existed for decades, advanced methods of cryogenic hydrogen storage have recently been developed. These advanced methods are cryo-compression and cryo-adsorption hydrogen storage, which operate best in the temperature range 30–100 K. We present a comparative analysis of both approaches for cryogenic hydrogen storage, examining how pressure and/or sorbent materials are used to effectively increase onboard H₂ density and dormancy. We start by reviewing some basic aspects of LH₂ properties and conventional means of storing it. From there we describe the cryo-compression and cryo-adsorption hydrogen storage methods, and then explore the relationship between them, clarifying the materials science and physics of the two approaches in trying to solve the same hydrogen storage task (~5–8 kg H₂, typical of light duty vehicles). Assuming that the balance of plant and the available volume for the storage system in the vehicle are identical for both approaches, the comparison focuses on how the respective storage capacities, vessel weight and dormancy vary as a function of temperature, pressure and type of cryo-adsorption material (especially, powder MOF-5 and MIL-101). By performing a comparative analysis, we clarify the science of each approach individually, identify the regimes where the attributes of each can be maximized, elucidate the properties of these systems during refueling, and probe the possible benefits of a combined “hybrid” system with both cryo-adsorption and cryo-compression phenomena operating at the same time. In addition the relationships found between onboard H₂ capacity, pressure vessel and/or sorbent mass and dormancy as a function of rated pressure, type of sorbent material and fueling conditions are useful as general designing guidelines in future engineering efforts using these two hydrogen storage approaches.

Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

Energy Technology Data Exchange (ETDEWEB)

Poirier, Eric [College of Engineering, Purdue University, West Lafayette, IN 47907 (United States); Dailly, Anne [Chemical and Environmental Sciences Laboratory, General Motors Corporation, Warren, MI 48090 (United States)], E-mail: poirierem@gmail.com, E-mail: anne.dailly@gm.com

2009-05-20

Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn{sub 4}O(1,3,5-benzenetribenzoate){sub 2}, MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g{sup -1}. An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g{sup -1} at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol{sup -1} in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn{sub 4}O(1,4-benzenedicarboxylate){sub 3}, IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

Thermodynamics of hydrogen adsorption in MOF-177 at low temperatures: measurements and modelling

International Nuclear Information System (INIS)

Poirier, Eric; Dailly, Anne

2009-01-01

Hydrogen adsorption measurements and modelling for the Zn-based microporous metal-organic framework (MOF) Zn 4 O(1,3,5-benzenetribenzoate) 2 , MOF-177, were performed over the 50-77 K and 0-40 bar ranges. The maximum excess adsorption measured under these conditions varies over about 105-70 mg g -1 . An analysis of the isotherms near saturation shows that hydrogen is ultimately adsorbed in an incompressible phase whose density is comparable to that of the bulk liquid. These liquid state properties observed under supercritical conditions reveal a remarkable effect of nanoscale confinement. The entire set of adsorption isotherms can be well described using a micropore filling model. The latter is used, in particular, to determine the absolute amounts adsorbed and the adsorption enthalpy. When expressed in terms of absolute adsorption, the isotherms show considerable hydrogen storage capacities, reaching up to 125 mg g -1 at 50 K and 25 bar. The adsorption enthalpies are calculated as a function of fractional filling and range from 3 to 5 kJ mol -1 in magnitude, in accordance with physisorption. These results are discussed with respect to a similar analysis performed on another Zn-based MOF, Zn 4 O(1,4-benzenedicarboxylate) 3 , IRMOF-1, presented recently. It is found that both materials adsorb hydrogen by similar mechanisms.

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

L Balan; L Duclaux; S Los

2005-01-01

properties of doped microporous carbons (SWNTs and activated carbons). The raw nano-structured carbon materials are microporous activated carbons (BET specific surface area: 1600 m 2 /g), electric-arc closed-end single-walled carbon nano-tubes (SWNTs), and HiPCO SWNTs. They have been doped in the vapour phase by K, and Li (in order to obtain KC 7 , KC 10 , LiC 18 SWNTs and LiC 6 , LiC 18 , KC 24 activated carbons). The hydrogen adsorption-desorption isotherms of the doped activated carbons were obtained at room temperature and at 77 K, up to 3 MPa, by a volumetric method. The adsorption of D 2 was studied in situ on doped nano-tubes and nano-filaments by neutron diffraction on D1B experiment (ILL), at λ=2.52 Angstroms, as a function of temperature [300 - 20 K] and pressure. Simultaneously the adsorption isotherms were recorded in the range 0 - 0.1 MPa [13]. Doping of microporous carbon by Li or K leads to an increase in the energy of adsorption of H 2 or D 2 Molecules. Thus, the room temperature sorption capacities (al P≤3 MPa) can be higher than that of the raw materials after slight doping. However, the maximum H 2 (or D 2 ) storage measured at T ≤ 77 K is lower than the one of pristine Materials as the sites of adsorption are occupied by alkali ions inserted in the micropores [14]. The microporous adsorption sites of doped single-walled carbon nano-tubes, identified by neutron diffraction, are both the interstitial voids (in electric-arc or HiPCO tubes) in between the tubes and the central canals of the tubes (only in HiPCO tubes) [15]. We have also prepared nano-structured porous doped carbons by ball-milling carbon host materials with some dopant, such as alkali or alkaline earth metal. The new nano-porous carbons obtained by this method have been characterised and tested for their hydrogen-adsorption properties. References: [1]A. Chambers et al, J. Phys. Chem. B, 102, 4253,1998. [2]A. C. Dillon et al, Nature, 386, 377,1997. [3]J. Conard, Ann. Chim. Sci. Mat 26

Hydrogen adsorption in doped porous carbons

International Nuclear Information System (INIS)

Balan, L.; Duchaux, L.; Los, S.

2005-01-01

properties of doped microporous carbons (SWNTs and activated carbons). The raw nano-structured carbon materials are microporous activated carbons (BET specific surface area: 1600 m 2 /g), electric-arc closed-end single-walled carbon nano-tubes (SWNTs), and HiPCO SWNTs. They have been doped in the vapor phase by K, and Li (in order to obtain KC 7 , KC 10 , LiC 18 SWNTs and LiC 6 , LiC 18 , KC 24 activated carbons). The hydrogen adsorption-desorption isotherms of the doped activated carbons were obtained at room temperature and at 77 K, up to 3 MPa, by a volumetric method. The adsorption of D 2 was studied in situ on doped nano-tubes and filaments by neutron diffraction on DIB experiment (ILL), at λ = 2.52 Angstroms, as a function of temperature [300-20 K] and pressure. Simultaneously the adsorption isotherms were recorded in the range 0-0.1 MPa [13]. Doping of microporous carbon by Li or K leads to an increase in the energy of adsorption of H 2 or D 2 molecules. Thus, the room temperature sorption capacities (at P≤3 MPa) can be higher than that of the raw materials after slight doping. However, the maximum H 2 (or D 2 ) storage measured at T≤ 77 K is lower than the one of pristine materials as the sites of adsorption are occupied by alkali ions inserted in the micropores [14]. The microporous adsorption sites of doped single-walled carbon nano-tubes, identified by neutron diffraction, are both the interstitial voids (in electric-arc or HiPCO tubes) in between the tubes and the central canals of the tubes (only in HiPCO tubes) [15]. We have also prepared nano-structured porous doped carbons by ball-milling carbon host materials with some dopant, such as alkali or alkaline earth metal. The new nano-porous carbons obtained by this method have been characterised and tested for their hydrogen-adsorption properties. [1] A. Chambers et al, J. Phys. Chem. B, 102, 4253, 1998; [2] A. C. Dillon et al, Nature, 386, 377, 1997; [3] J. Conard, Ann. Chim. Sci. Mat 26, 107, 2001; [4] A

Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

Science.gov (United States)

Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

2010-03-01

A simple hydrogen adsorption measurement system utilizing the volumetri differential pressure technique has been designed, fabricated and calibrated. Hydroge adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will b helpful in understanding the adsorption property of the studied carbon materials using th fundamentals of adsorption theory. The principle of the system follows the Sievert-type metho The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range. R1, S1, S2, and S3 having known fixed volume The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operatin pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. Hig purity hydrogen is being used in the system and the amount of samples for the study is betwee 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of th adsorption process by eliminating the errors caused by temperature expansion effects and oth non-adsorption related phenomena. The ideal gas equation of state is applied to calculate th hydrogen adsorption capacity based on the differential pressure measurements. Activated carbo with a surface area of 644.87 m2/g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m2/g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption significant at 77

Multiscale Study of Hydrogen Adsorption on Six Designed Covalent Organic Frameworks Based on Porphyrazine, Cyclobutane and Scandium

International Nuclear Information System (INIS)

Li Le-Le; Gao Teng-Fei; Zhang Ruan-Yu; Zhang Hong

2014-01-01

The first-principles method of hydrogen adsorption is used to investigate the interaction of H_2 with the scandium-porphyrazine (Sc-Pz) and porphyrazine (Pz) clusters. The result shows that the interaction of H_2 with Sc-Pz is stronger than with Pz. Then grand canonical Monte Carlo simulations are used to investigate hydrogen adsorption in six designed covalent organic frameworks (COFs), which are designed based on porphyrazine, cyclobutane and scandium. When the pressure is from 0.1 to 100 bar and the temperature is 298 K and 77 K, the hydrogen adsorption capacities of the six COFs are calculated. We further study the importance of Sc and fillers to improve the H_2 uptake in the modified COFs by analyzing the isosteric heat of hydrogen adsorption. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Adsorption and diffusion of hydrogen in Zircaloy-4

International Nuclear Information System (INIS)

Torres, E.; Desquines, J.; Baietto, M.C.; Coret, M.; Wehling, F.; Blat-Yrieix, M.; Ambard, A.

2015-01-01

Hydrogen in zirconium alloys is considered in many nuclear safety issues. Below 500 Celsius degrees, rather limited knowledge is available on the combined hydrogen adsorption at the sample surface and diffusion in the metal. A modeling of hydrogen gaseous charging has been established starting with a set of relevant laws and parameters derived from open literature. Simulating the hydrogen charging process requires simultaneous analysis of gaseous surface adsorption, hydrogen solid-solution diffusion and precipitation, when exceeding the material solubility limit. The modeling has been extended to reproduce the solid-gas exchange. Gaseous charging experiments have been performed at 420 C. degrees on Stress Relieved Annealed (SRA) Zircaloy-4 cladding samples to validate the model. The sample hydrogen content has been systematically measured after charging and compared to the calculated value thus providing a validation of the adsorption modeling. Complementary tests have been carried out on Recrystallized Annealed (RXA) Zircaloy-4 rods to characterize the combined diffusion and adsorption process. The hydrogen concentration distribution has been characterized using an inverse technique based on destructive analyses of the samples. This additional set of data was relevant for the validation of the hydrogen combined adsorption/diffusion modeling up to 420 C. degrees. (authors)

CoFe2O4@MIL-100(Fe) hybrid magnetic nanoparticles exhibit fast and selective adsorption of arsenic with high adsorption capacity

Science.gov (United States)

Yang, Ji-Chun; Yin, Xue-Bo

2017-01-01

In this study, we report the synthesis and application of mesoporous CoFe2O4@MIL-100(Fe) hybrid magnetic nanoparticles (MNPs) for the simultaneous removal of inorganic arsenic (iAs). The hybrid adsorbent had a core-shell and mesoporous structure with an average diameter of 260 nm. The nanoscale size and mesoporous character impart a fast adsorption rate and high adsorption capacity for iAs. In total, 0.1 mg L−1 As(V) and As(III) could be adsorbed within 2 min, and the maximum adsorption capacities were 114.8 mg g−1 for As(V) and 143.6 mg g−1 for As(III), higher than most previously reported adsorbents. The anti-interference capacity for iAs adsorption was improved by the electrostatic repulsion and size exclusion effects of the MIL-100(Fe) shell, which also decreased the zero-charge point of the hybrid absorbent for a broad pH adsorption range. The adsorption mechanisms of iAs on the MNPs are proposed. An Fe-O-As structure was formed on CoFe2O4@MIL-100(Fe) through hydroxyl substitution with the deprotonated iAs species. Monolayer adsorption of As(V) was observed, while hydrogen bonding led to the multi-layer adsorption of neutral As(III) for its high adsorption capacity. The high efficiency and the excellent pH- and interference-tolerance capacities of CoFe2O4@MIL-100(Fe) allowed effective iAs removal from natural water samples, as validated with batch magnetic separation mode and a portable filtration strategy. PMID:28102334

A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

Energy Technology Data Exchange (ETDEWEB)

Langohr, D

2004-10-15

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

Optimization of CO2 adsorption capacity and cyclical adsorption/desorption on tetraethylenepentamine-supported surface-modified hydrotalcite.

Science.gov (United States)

Thouchprasitchai, Nutthavich; Pintuyothin, Nuthapol; Pongstabodee, Sangobtip

2018-03-01

The objective of this research was to investigate CO 2 adsorption capacity of tetraethylenepentamine-functionalized basic-modified calcined hydrotalcite (TEPA/b-cHT) sorbents at atmospheric pressure formed under varying TEPA loading levels, temperatures, sorbent weight to total gaseous flow rate (W/F) ratios and CO 2 concentrations in the influent gas. The TEPA/b-cHT sorbents were characterized by means of X-ray diffraction (XRD), Fourier transform infrared spectrometry (FT-IR), thermal gravimetric analysis (TGA), Brunauer-Emmet-Teller (BET) analysis of nitrogen (N 2 ) adsorption/desorption and carbon-hydrogen-nitrogen (CHN) elemental analysis. Moreover, a full 2 4 factorial design with three central points at a 95% confidence interval was used to screen important factor(s) on the CO 2 adsorption capacity. It revealed that 85.0% variation in the capacity came from the influence of four main factors and the 15.0% one was from their interactions. A face-centered central composite design response surface method (FCCCD-RSM) was then employed to optimize the condition, the maximal capacity of 5.5-6.1mmol/g was achieved when operating with a TEPA loading level of 39%-49% (W/W), temperature of 76-90°C, W/F ratio of 1.7-2.60(g·sec)/cm 3 and CO 2 concentration of 27%-41% (V/V). The model fitted sufficiently the experimental data with an error range of ±1.5%. From cyclical adsorption/desorption and selectivity at the optimal condition, the 40%TEPA/b-cHT still expressed its effective performance after eight cycles. Copyright © 2017. Published by Elsevier B.V.

A study on hydrogen storage through adsorption in nano-structured carbons; Etude du stockage d'hydrogene par adsorption dans des carbones nanostructures

Energy Technology Data Exchange (ETDEWEB)

Langohr, D

2004-10-15

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

Adsorption process to recover hydrogen from feed gas mixtures having low hydrogen concentration

Science.gov (United States)

Golden, Timothy Christopher; Weist, Jr., Edward Landis; Hufton, Jeffrey Raymond; Novosat, Paul Anthony

2010-04-13

A process for selectively separating hydrogen from at least one more strongly adsorbable component in a plurality of adsorption beds to produce a hydrogen-rich product gas from a low hydrogen concentration feed with a high recovery rate. Each of the plurality of adsorption beds subjected to a repetitive cycle. The process comprises an adsorption step for producing the hydrogen-rich product from a feed gas mixture comprising 5% to 50% hydrogen, at least two pressure equalization by void space gas withdrawal steps, a provide purge step resulting in a first pressure decrease, a blowdown step resulting in a second pressure decrease, a purge step, at least two pressure equalization by void space gas introduction steps, and a repressurization step. The second pressure decrease is at least 2 times greater than the first pressure decrease.

Carbon nanotubes for energy storage using their hydrogen adsorption capacity: state of the art and perspectives; Nanotubos de carbono para estocagem de energia por adsorcao de hidrogenio: estado da arte e perspectivas

Energy Technology Data Exchange (ETDEWEB)

Maestro, Luis Fernando; Luengo, Carlos Alberto [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Fisica. Grupo de Combustiveis Alternativos], e-mail: lmaestro@ifi.unicamp.br

2004-07-01

It is presented an updated scope of the research in carbon nanotubes synthesis, their purification and a discussion of recent results in energy storage using their hydrogen adsorption capacity. The GCA activities in this area are also discussed. (author)

Optimization Study of Hydrogen Gas Adsorption on Zig-zag Single-walled Carbon Nanotubes: The Artificial Neural Network Analysis

Science.gov (United States)

Nasruddin; Lestari, M.; Supriyadi; Sholahudin

2018-03-01

The use of hydrogen gas in fuel cell technology has a huge opportunity to be applied in upcoming vehicle technology. One of the most important problems in fuel cell technology is the hydrogen storage. The adsorption of hydrogen in carbon-based materials attracts a lot of attention because of its reliability. This study investigated the adsorption of hydrogen gas in Single-walled Carbon Nano Tubes (SWCNT) with chilarity of (0, 12), (0, 15), and (0, 18) to find the optimum chilarity. Artificial Neural Networks (ANN) can be used to predict the hydrogen storage capacity at different pressure and temperature conditions appropriately, using simulated series of data. The Artificial Neural Network is modeled as a predictor of the hydrogen adsorption capacity which provides solutions to some deficiencies in molecular dynamics (MD) simulations. In a previous study, ANN configurations have been developed for 77k, 233k, and 298k temperatures in hydrogen gas storage. To prepare this prediction, ANN is modeled to find out the configurations that exist in the set of training and validation of specified data selection, the distance between data, and the number of neurons that produce the smallest error. This configuration is needed to make an accurate artificial neural network. The configuration of neural network was then applied to this research. The neural network analysis results show that the best configuration of artificial neural network in hydrogen storage is at 233K temperature i.e. on SWCNT with chilarity of (0.12).

Hydrogen adsorption properties of polymer-derived nanoporous SiC{sub x} fibers

Energy Technology Data Exchange (ETDEWEB)

Chu, Zengyong; He, Rongan; Zhang, Xiaobin; Cheng, Haifeng; Li, Xiaodong; Wang, Yingde [State Key Laboratory of Advanced Ceramic Fibers and Composites, National University of Defense Technology, Changsha 410073 (China)

2010-04-15

In an effort to prepare new hydrogen storage materials, we successfully obtained three types of polymer-derived nanoporous SiC{sub x} (x = 5-7) fibers, whose specific surface areas (SSAs) are larger than 580 m{sup 2}/g. Their hydrogen adsorption properties were studied with a comparison of multi-walled carbon nanotubes (MWCNTs). The results reveal that micropores play a predominant role in hydrogen adsorptions at 77 K and at pressures below 0.5 MPa, and mesopores begin to take greater effect when the pressure increases beyond 0.5 MPa. The maximum hydrogen storage capacity (HSC), 0.33 wt% at 302 K and 4 MPa, was achieved for SiC{sub x}-KN fibers with SSA of 990 m{sup 2}/g, while the HSC of the MWCNTs is 0.09 wt% at the same conditions. For these new materials, this work demonstrates that small pore size, large micropore volume and large SSA are all beneficial for the high hydrogen uptake. It can also be deduced from the work that the HSC of the SiC{sub x} fibers could be further increased if the crystallinity and the composition are better controlled. (author)

Hydrogen and helium adsorption on potassium

International Nuclear Information System (INIS)

Garcia, R.; Mulders, N.; Hess, G.

1995-01-01

A previous quartz microbalance study of adsorption of helium on sodium indicates that the inert layer is surprisingly small. Similar experiments with hydrogen on sodium show layer by layer growth below a temperature of 7K. These results motivated the authors to extend the experiments to lower temperatures. A suitable apparatus, capable of reaching 0.45 K, while still enabling them to do in situ alkali evaporation, has been constructed. The authors will report on the results of microbalance adsorption experiments of helium and hydrogen on potassium

Hydrogen Adsorption in Flame Synthesized and Lithium Intercalated Carbon Nanofibers--A Comparative Study.

Science.gov (United States)

Dhand, Vivek; Prasad, J Sarada; Rao, Venkateswer M; Kalluri, Sujith; Jain, Pawan Kumar; Sreedhar, B

2015-01-01

Carbon nanofibers (CNF) have been synthesized under partial combustion conditions in a flame reactor using different mixtures of hydrocarbon gases in the presence and absence of precursors. The hydrogen (H2) adsorption studies have been carried out using a high pressure Sievert's apparatus maintained at a constant temperature (24 degrees C). The flame synthesized CNFs showed high degree of H2 adsorption capacities at 100 atm pressure. The highest H2 capacities recorded have been 4.1 wt% [for CNF produced by liquefied petroleum gas (LPG)-Air (E-17)], 3.7 wt% [for nano carbons produced by Methane-Acetylene-Air (EMAC-4)] and 5.04 wt% for [Lithium intercalated sample (Li-EMAC-4)] respectively.

Effects of basic nitrogen poisoning on adsorption of hydrogen on a hydrotreatment catalyst

International Nuclear Information System (INIS)

Entz, R.W.; Seapan, M.

1985-01-01

Activity of a hydrotreatment catalyst depends on the hydrogen adsorption characteristics of the catalyst. In this work, the adsorption of hydrogen on a Ni-Mo/Al/sub 2/O/sub 3/ catalyst (shell 324) has been studied using a TGA at 1 atm pressure and 200-400 0 C temperature. Hydrogen adsorption on a calcined catalyst was shown to be of activated type with a sudden increase in hydrogen adsorption around 350 0 C. When the catalyst is extracted with Tetrahydrofuran (THF), the hydrogen adsorption increases gradually as the temperature is increased, approaching a monolayer coverage of the catalyst surface. It is shown that solvent extraction of catalyst changes its hydrogen adsorption characteristics significantly. Indeed, at 400 0 C, an extracted catalyst adsorbs about four times more hydrogen than an unextracted catalyst. Adsorption of basic nitrogen compounds on the catalyst interferes with the hydrogen adsorption. The adsorption of pyridine, piperidine, n-pentylamine, and ammonia were studied at 400 0 C. It is shown that the strength of adsorption of piperidine and n-pentylamine are relatively similar, however their adsorption strength is higher than pyridine. Ammonia is the weakest adsorbing compound studied. These observations are in agreement with other studies

Hydrogen adsorption on bimetallic PdAu(111) surface alloys

DEFF Research Database (Denmark)

Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas

2014-01-01

The adsorption of hydrogen on structurally well defined PdAu-Pd(111) monolayer surface alloys was investigated in a combined experimental and theoretical study, aiming at a quantitative understanding of the adsorption and desorption properties of individual PdAu nanostructures. Combining...... the structural information obtained by high resolution scanning tunneling microscopy (STM), in particular on the abundance of specific adsorption ensembles at different Pd surface concentrations, with information on the adsorption properties derived from temperature programmed desorption (TPD) spectroscopy...... and high resolution electron energy loss spectroscopy (HREELS) provides conclusions on the minimum ensemble size for dissociative adsorption of hydrogen and on the adsorption energies on different sites active for adsorption. Density functional theory (DFT) based calculations give detailed insight...

Adsorption methods for hydrogen isotope storage on zeolite sieves

International Nuclear Information System (INIS)

Cristescu, Ioana; Cristescu, Ion; Vasut, Felicia; Brad, Sebastian; Lazar, Alin

2001-01-01

Adsorption molecular sieves and activated carbon were used for hydrogen isotopes. The adsorption process proceeds at liquid nitrogen and liquid hydrogen temperatures. The synthetic zeolites have similar properties as natural zeolites, but they have a regular pore structure and affinity for molecules of different size with defined shapes. Experimental results obtained at liquid nitrogen and liquid hydrogen temperatures evidenced the efficient behavior of the activated carbon and zeolite sieves for hydrogen isotope temporary storage. (authors)

Direct measurements of adsorption heats of hydrogen on nano-porous carbons

International Nuclear Information System (INIS)

Akihiko Matsumoto; Kazumasa Yamamoto; Tomoyuki Miyata

2005-01-01

Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues, nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption micro-calorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micro-pore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity. The

Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

International Nuclear Information System (INIS)

Wu, Yue; Kleinhammes, Alfred

2011-01-01

In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: (1) Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen; (2) Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure; (3) Hydrogen storage material made from activated PEEK

Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

Energy Technology Data Exchange (ETDEWEB)

Wu, Yue; Kleinhammes, Alfred

2011-07-11

In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials’ properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: • Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen. • Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure. • Hydrogen storage material made from

Modeling of the thermal effects of hydrogen adsorption on activated carbon

International Nuclear Information System (INIS)

Richard, M.-A.; Chahine, R.

2006-01-01

'Full text:' Heat management is one of the most critical issues for the design of efficient adsorption-based storage of hydrogen. We present simulations of mass and energy balance for hydrogen and nitrogen adsorption on activated carbon over wide temperature and pressure ranges. First, the Dubinin-Astakhov (DA) model is adapted to model excess hydrogen and nitrogen adsorption isotherms at high pressures and supercritical temperatures assuming a constant microporous adsorption volume. The five parameter modified D-A adsorption model is shown to fit the experimental data over the temperature range (35 K-293 K) for hydrogen and (93 K-298 K) for nitrogen and pressure range (0-6 MPa) within the experimental uncertainties of the measurement system. We derive the thermodynamic properties of the adsorbed phase from this analytical expression of the measured data. The mass and energy rate balance equations in a microporous adsorbent/adsorbate system are then presented and validated with nitrogen desorption experiments. Finally, simulations of adiabatic and isothermal filling of adsorption-based hydrogen storage are presented and discussed. (author)

Direct measurements of adsorption heats of hydrogen on nano-porous carbons

International Nuclear Information System (INIS)

Akihiko, Matsumoto; Kazumasa, Yamamoto; Tomoyuki, Miyata

2005-01-01

Since a exciting report of hydrogen storage in single-walled carbon nano-tubes by Dillon and his colleagues [1], nano-porous carbon materials, such as carbon nano-tubes, carbon nano-horns and micro-porous activated carbon, have attracted considerable attention as hydrogen storage materials. Adsorption plays a predominating role in the hydrogen storage process on solid surfaces. The adsorption is a spontaneous process, which is caused by interaction between gas molecules and surface, hence, it is always exothermic process and observed as adsorption heats. For this reason, direct measurement of the adsorption heats by adsorption microcalorimetry would provide quantitative information on the strength of adsorption interaction and the adsorption mechanism. However, the adsorption amounts of hydrogen on carbon materials are far less than those of condensable vapors near room temperature due to low critical temperature of hydrogen (33.2 K), therefore, the adsorption heats can not be determined accurately at conventional measurement conditions near room temperature and the atmospheric pressure. This contribution reports the calorimetric characterization of hydrogen adsorption on nano-porous carbon materials at low temperature and high-pressure conditions. The high-pressure adsorption apparatus consists of a volumetric adsorption line connected to a twin-conduction type microcalorimeter. Activated carbon fibers (ACF, Ad'all Co.) of different micropore sizes (Table 1) were used as model adsorbents. Each ACF has slit-shaped micropores of uniform size [2]. The adsorption isotherms and differential heats of adsorption at high-pressure region from 0 to 10 MPa were simultaneously measured at isothermal condition from 203 to 298 K. The adsorption isotherms on ACF were of Henry type regardless of adsorption temperature and pore width; the uptakes increased linearly with equilibrium pressure. The adsorption isotherm at lower sorption temperature tended to show higher sorptivity

A study on hydrogen storage through adsorption in nano-structured carbons

International Nuclear Information System (INIS)

Langohr, D.

2004-10-01

The aim of this work is to build and calibrate an experimental set-up for the testing of the materials, to produce some carbon materials in large amounts and characterise them, and finally, to test these materials in their ability to store hydrogen. This will help in establishing a link between the hydrogen storage capacities of the carbons and their nano-structure. The script is divided into four chapters. The first chapter will deal with the literature review on the thematic of hydrogen storage through adsorption in the carbon materials, while the second chapter will present the experimental set-up elaborated in the laboratory. The third chapter explains the processes used to produce the two families of carbon materials and finally, the last chapter presents the structural characterisation of the samples as well as the experimental results of hydrogen storage on the materials elaborated. (author)

Pd Nanoparticles and MOFs Synergistically Hybridized Halloysite Nanotubes for Hydrogen Storage.

Science.gov (United States)

Jin, Jiao; Ouyang, Jing; Yang, Huaming

2017-12-01

Natural halloysite nanotubes (HNTs) were hybridized with metal-organic frameworks (MOFs) to prepare novel composites. MOFs were transformed into carbon by carbonization calcination, and palladium (Pd) nanoparticles were introduced to build an emerging ternary compound system for hydrogen adsorption. The hydrogen adsorption capacities of HNT-MOF composites were 0.23 and 0.24 wt%, while those of carbonized products were 0.24 and 0.27 wt% at 25 °C and 2.65 MPa, respectively. Al-based samples showed higher hydrogen adsorption capacities than Zn-based samples on account of different selectivity between metal and hydrogen and approximate porous characteristics. More pore structures are generated by the carbonization reaction from metal-organic frameworks into carbon; high specific surface area, uniform pore size, and large pore volume benefited the hydrogen adsorption ability of composites. Moreover, it was also possible to promote hydrogen adsorption capacity by incorporating Pd. The hydrogen adsorption capacity of ternary compound, Pd-C-H3-MOFs(Al), reached 0.32 wt% at 25 °C and 2.65 MPa. Dissociation was assumed to take place on the Pd particles, then atomic and molecule hydrogen spilled over to the structure of carboxylated HNTs, MOFs, and the carbon products for enhancing the hydrogen adsorption capacity.

Pd Nanoparticles and MOFs Synergistically Hybridized Halloysite Nanotubes for Hydrogen Storage

Science.gov (United States)

Jin, Jiao; Ouyang, Jing; Yang, Huaming

2017-03-01

Natural halloysite nanotubes (HNTs) were hybridized with metal-organic frameworks (MOFs) to prepare novel composites. MOFs were transformed into carbon by carbonization calcination, and palladium (Pd) nanoparticles were introduced to build an emerging ternary compound system for hydrogen adsorption. The hydrogen adsorption capacities of HNT-MOF composites were 0.23 and 0.24 wt%, while those of carbonized products were 0.24 and 0.27 wt% at 25 °C and 2.65 MPa, respectively. Al-based samples showed higher hydrogen adsorption capacities than Zn-based samples on account of different selectivity between metal and hydrogen and approximate porous characteristics. More pore structures are generated by the carbonization reaction from metal-organic frameworks into carbon; high specific surface area, uniform pore size, and large pore volume benefited the hydrogen adsorption ability of composites. Moreover, it was also possible to promote hydrogen adsorption capacity by incorporating Pd. The hydrogen adsorption capacity of ternary compound, Pd-C-H3-MOFs(Al), reached 0.32 wt% at 25 °C and 2.65 MPa. Dissociation was assumed to take place on the Pd particles, then atomic and molecule hydrogen spilled over to the structure of carboxylated HNTs, MOFs, and the carbon products for enhancing the hydrogen adsorption capacity.

Hydrogen adsorption on partially oxidised microporous carbons

International Nuclear Information System (INIS)

J B Parra; C O Ania; C J Duran Valle; M L Sanchez; C Otero Arean

2005-01-01

The search for cost effective adsorbents for large scale gas separation, storage and transport constitutes a present day strategic issue in the energy sector, propelled mainly by the potential use of hydrogen as an energy vector in a sustainable (and cleaner) energy scenario. Both, activated carbons and carbon based nano-structured materials have been proposed as potential candidates for reversible hydrogen storage in cryogenically cooled vessels. For that purpose, surface modification so as to enhance the gas solid interaction energy is desirable. We report on hydrogen adsorption on microporous (active) carbons which have been partially oxidised with nitric acid and ammonium persulfate. From the corresponding hydrogen adsorption isotherms (Fig. 1) an isosteric heat of about 3 kJ mol -1 was derived. This value is in agreement with that of about 3 to 4 kJ mol -1 obtained by quantum chemical calculations on the interaction between the hydrogen molecule and simple model systems (Fig. 2) of both, hydroxyl and carboxyl groups. Further research is in progress with a view to further increases the gas solid interaction energy. However, the values so far obtained are significantly larger than the liquefaction enthalpy of hydrogen: 0.90 kJ mol -1 ; and this is relevant to both, hydrogen separation from gas mixtures and cryogenic hydrogen storage. (authors)

Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

International Nuclear Information System (INIS)

Chen, Haoliang; Ray, Asok K.

2013-01-01

Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

Design and synthesis of vanadium hydrazide gels for Kubas-type hydrogen adsorption: a new class of hydrogen storage materials.

Science.gov (United States)

Hoang, Tuan K A; Webb, Michael I; Mai, Hung V; Hamaed, Ahmad; Walsby, Charles J; Trudeau, Michel; Antonelli, David M

2010-08-25

In this paper we demonstrate that the Kubas interaction, a nondissociative form of weak hydrogen chemisorption with binding enthalpies in the ideal 20-30 kJ/mol range for room-temperature hydrogen storage, can be exploited in the design of a new class of hydrogen storage materials which avoid the shortcomings of hydrides and physisorpion materials. This was accomplished through the synthesis of novel vanadium hydrazide gels that use low-coordinate V centers as the principal Kubas H(2) binding sites with only a negligible contribution from physisorption. Materials were synthesized at vanadium-to-hydrazine ratios of 4:3, 1:1, 1:1.5, and 1:2 and characterized by X-ray powder diffraction, X-ray photoelectron spectroscopy, nitrogen adsorption, elemental analysis, infrared spectroscopy, and electron paramagnetic resonance spectroscopy. The material with the highest capacity possesses an excess reversible storage of 4.04 wt % at 77 K and 85 bar, corresponding to a true volumetric adsorption of 80 kg H(2)/m(3) and an excess volumetric adsorption of 60.01 kg/m(3). These values are in the range of the ultimate U.S. Department of Energy goal for volumetric density (70 kg/m(3)) as well as the best physisorption material studied to date (49 kg H(2)/m(3) for MOF-177). This material also displays a surprisingly high volumetric density of 23.2 kg H(2)/m(3) at room temperature and 85 bar--roughly 3 times higher than that of compressed gas and approaching the DOE 2010 goal of 28 kg H(2)/m(3). These materials possess linear isotherms and enthalpies that rise on coverage and have little or no kinetic barrier to adsorption or desorption. In a practical system these materials would use pressure instead of temperature as a toggle and can thus be used in compressed gas tanks, currently employed in many hydrogen test vehicles, to dramatically increase the amount of hydrogen stored and therefore the range of any vehicle.

Hydrogen adsorption on skeletal rhodium-tantalum electrodes-catalysts

International Nuclear Information System (INIS)

Tsinstevich, V.M.; Krejnina, N.M.

1975-01-01

Skeleton rhodium-tantalic catalyst electrodes with a tantalum mass percentage of 0 to 100 have been obtained by the methodology of Crupp and others. The hydrogen adsorption is studied through the method of removing the galvano-static and potentiodynamic curves of charging in sulfuric acid and potassium hydroxide. It has been discovered that the maximum adsorption ability relatively to the hydrogen can be observed in an alloy with a 5% tantalum contents. The energetic characteristics of the alloys are higher in alkali than in acid

Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations

International Nuclear Information System (INIS)

Liu Yali; Ren Ling; He Yao; Cheng Haiping

2010-01-01

We present results of density functional theory (DFT) calculations of the adsorption of hydrogen molecules on Ti-decorated graphene. Our results indicate that the binding energies of molecular hydrogen on Ti-decorated graphene can be dramatically enhanced to 0.23-0.60 eV. The hybridization of the Ti 3d orbitals with the H 2 σ and σ* orbitals plays a central role in the enhanced binding. There is also a contribution from the attractive interaction between the surface dipole and the dipole of polarized H 2 . It can be expected that Ti-decorated graphene could be considered as a potential high-capacity hydrogen storage medium.

Remarkable adsorptive removal of nitrogen-containing compounds from a model fuel by a graphene oxide/MIL-101 composite through a combined effect of improved porosity and hydrogen bonding

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Imteaz; Jhung, Sung Hwa, E-mail: sung@knu.ac.kr

2016-08-15

Highlights: • Metal-organic frameworks (MIL-101) were composed with graphene oxide (GnO). • GnO/MIL-101 showed the highest adsorption capacity for indole and quinoline. • Adsorption mechanism was clearly shown based on adsorption results and FTIR. • GnO/MIL-101 might be applied commercially considering capacity and reusability. - Abstract: A composite was prepared by combining a highly porous metal-organic framework (MOF), MIL-101 (Cr-benzenedicarboxylate), and graphene oxide (GnO). The porosity of the composite increased appreciably by the addition of GnO up to a specific amount in the MOF, though further increases in the quantity of GnO was detrimental to porosity. The improved porosity of the GnO/MIL-101 composite was utilized for adsorptive denitrogenation (ADN) of a model fuel where indole (IND) and quinoline (QUI) were used as nitrogen-containing compounds (NCCs). It was found that both IND and QUI showed improved adsorption on the composite compared with pristine MIL-101 or GnO due to the improved porosity of the composite. Interestingly, the improvement in adsorption of IND was much higher than the quantity estimated for the porosity. Importantly, GnO/MIL-101 showed the highest adsorption capacities for NCCs. Irrespective of the studied solvents and co-presence of IND and QUI, the composite adsorbent performed ADN most effectively. This remarkable improvement is explained by the additional mechanism of hydrogen bonding between the surface functional groups of GnO and the hydrogen attached to the nitrogen atom of IND. This hydrogen bonding mechanism is also supported by the results of the adsorption of pyrrole and methylpyrrole. On the other hand, QUI does not show hydrogen-bonding capability, and therefore, its enhanced adsorption originates from only the increased porosity of the adsorbents.

Remarkable adsorptive removal of nitrogen-containing compounds from a model fuel by a graphene oxide/MIL-101 composite through a combined effect of improved porosity and hydrogen bonding

International Nuclear Information System (INIS)

Ahmed, Imteaz; Jhung, Sung Hwa

2016-01-01

Highlights: • Metal-organic frameworks (MIL-101) were composed with graphene oxide (GnO). • GnO/MIL-101 showed the highest adsorption capacity for indole and quinoline. • Adsorption mechanism was clearly shown based on adsorption results and FTIR. • GnO/MIL-101 might be applied commercially considering capacity and reusability. - Abstract: A composite was prepared by combining a highly porous metal-organic framework (MOF), MIL-101 (Cr-benzenedicarboxylate), and graphene oxide (GnO). The porosity of the composite increased appreciably by the addition of GnO up to a specific amount in the MOF, though further increases in the quantity of GnO was detrimental to porosity. The improved porosity of the GnO/MIL-101 composite was utilized for adsorptive denitrogenation (ADN) of a model fuel where indole (IND) and quinoline (QUI) were used as nitrogen-containing compounds (NCCs). It was found that both IND and QUI showed improved adsorption on the composite compared with pristine MIL-101 or GnO due to the improved porosity of the composite. Interestingly, the improvement in adsorption of IND was much higher than the quantity estimated for the porosity. Importantly, GnO/MIL-101 showed the highest adsorption capacities for NCCs. Irrespective of the studied solvents and co-presence of IND and QUI, the composite adsorbent performed ADN most effectively. This remarkable improvement is explained by the additional mechanism of hydrogen bonding between the surface functional groups of GnO and the hydrogen attached to the nitrogen atom of IND. This hydrogen bonding mechanism is also supported by the results of the adsorption of pyrrole and methylpyrrole. On the other hand, QUI does not show hydrogen-bonding capability, and therefore, its enhanced adsorption originates from only the increased porosity of the adsorbents.

Adsorption of hydrogen gas and redox processes in clays.

Science.gov (United States)

Didier, Mathilde; Leone, Laura; Greneche, Jean-Marc; Giffaut, Eric; Charlet, Laurent

2012-03-20

In order to assess the adsorption properties of hydrogen gas and reactivity of adsorbed hydrogen, we measured H(2)(g) adsorption on Na synthetic montmorillonite-type clays and Callovo-Oxfordian (COx) clayrock using gas chromatography. Synthetic montmorillonites with increasing structural Fe(III) substitution (0 wt %, 3.2 wt %, and 6.4 wt % Fe) were used. Fe in the synthetic montmorillonites is principally present as structural Fe(III) ions. We studied the concomitant reduction of structural Fe(III) in the clays using (57)Fe Mössbauer spectrometry. The COx, which mainly contains smectite/illite and calcite minerals, is also studied together with the pure clay fraction of this clayrock. Experiments were performed with dry clay samples which were reacted with hydrogen gas at 90 and 120 °C for 30 to 45 days at a hydrogen partial pressure close to 0.45 bar. Results indicate that up to 0.11 wt % of hydrogen is adsorbed on the clays at 90 °C under 0.45 bar of relative pressure. (57)Fe Mössbauer spectrometry shows that up to 6% of the total structural Fe(III) initially present in these synthetic clays is reduced upon adsorption of hydrogen gas. No reduction is observed with the COx sample in the present experimental conditions.

Carbon dioxide adsorption in graphene sheets

Directory of Open Access Journals (Sweden)

Ashish Kumar Mishra

2011-09-01

Full Text Available Control over the CO2 emission via automobiles and industrial exhaust in atmosphere, is one of the major concerns to render environmental friendly milieu. Adsorption can be considered to be one of the more promising methods, offering potential energy savings compared to absorbent systems. Different carbon nanostructures (activated carbon and carbon nanotubes have attracted attention as CO2 adsorbents due to their unique surface morphology. In the present work, we have demonstrated the CO2 adsorption capacity of graphene, prepared via hydrogen induced exfoliation of graphitic oxide at moderate temperatures. The CO2 adsorption study was performed using high pressure Sieverts apparatus and capacity was calculated by gas equation using van der Waals corrections. Physical adsorption of CO2 molecules in graphene was confirmed by FTIR study. Synthesis of graphene sheets via hydrogen exfoliation is possible at large scale and lower cost and higher adsorption capacity of as prepared graphene compared to other carbon nanostructures suggests its possible use as CO2 adsorbent for industrial application. Maximum adsorption capacity of 21.6 mmole/g was observed at 11 bar pressure and room temperature (25 ºC.

First-principles investigation of hydrogen storage capacity of Y-decorated porous graphene

Energy Technology Data Exchange (ETDEWEB)

Yuan, Lihua, E-mail: yuanlh@lut.cn [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Chen, Yuhong, E-mail: chenyh@lut.cn [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Kang, Long [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Zhang, Cairong [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Wang, Daobin; Wang, Chunni [School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); Zhang, Meiling [School of Sciences, Lanzhou University of Technology, Lanzhou 730050 (China); School of Nuclear Science and Technology, Lanzhou university, 73000 (China); Wu, Xiaojuan [State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China)

2017-03-31

Highlights: • The bridge of C–C bond is favorable site for a Y atom on the single side of PG and six H{sub 2} can be absorbed around it. • Two Y atoms can be stably adsorbed on the same side of one unit cell of PG, but there isn’t sufficient space for H{sub 2} absorbing around each Y atom. • The maximum number of absorbed Y atoms is two for double side of PG unit cell. • Fourteen H{sub 2} can be absorbed on the both sides of PG, and the hydrogen storage capacity is 7.87 wt.%. - Abstract: Based on first-principles method, the electron structure of porous graphene (PG) and adsorption ability of H{sub 2} molecular on Y-decorated porous graphene are investigated using CASTEP code. It is found that the bridge of C–C bond which connects two C hexagons is favorable site for a Y atom adsorbed on the single side of PG, and six H{sub 2} molecules can be absorbed around a Y atom with average adsorption energy of −0.297 eV/H{sub 2} computed by GGA-PBE functional. Though two Y atoms can be stably adsorbed on the same side of one unit cell of PG, there isn’t sufficient space for H{sub 2} absorbing around each Y atom. To improve capability of hydrogen storage, the unit cell of PG with single side should only contain one Y atom. For the case of double side of porous graphene, two Y atoms are preferably located above the center of the different C hexagon. Fourteen H{sub 2} molecules can be absorbed on both sides of PG, and the gravimetric hydrogen storage capacity is 7.87 wt.% with the average adsorption energy of −0.23 eV/H{sub 2}.

A green synthetic approach to graphene nanosheets for hydrogen adsorption

International Nuclear Information System (INIS)

Yuan Wenhui; Li Baoqing; Li Li

2011-01-01

A green and facile strategy of preparing graphene by reducing exfoliated graphite oxide (GO) with glucose was developed in this study. The as-prepared samples were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) and Atomic force microscopy (AFM). The characterization results indicated that the graphene sheets (GS) were of high quality with smooth surface, rich pore structure and few layer graphene. The samples have a BET specific surface area of 1205.8 m 2 g -1 measured by N 2 adsorption at 77 K. The hydrogen storage capacity of 2.7 wt.% at 298 K and 25 bar demonstrated that the as-prepared graphene employing glucose as reductant is supposed to be a promising material with outstanding property for hydrogen storage.

A Biomimetic Approach to New Adsorptive Hydrogen Storage Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Zhou, Hongcai J [Texas A& M University

2015-08-12

In the past decades, there has been an escalation of interest in the study of MOFs due to their fascinating structures and intriguing application potentials. Their exceptionally high surface areas, uniform yet tunable pore sizes, and well-defined adsorbate-MOF interaction sites make them suitable for hydrogen storage. Various strategies to increase the hydrogen capacity of MOFs, such as constructing pore sizes comparable to hydrogen molecules, increasing surface area and pore volume, utilizing catenation, and introducing coordinatively unsaturated metal centers (UMCs) have been widely explored to increase the hydrogen uptake of the MOFs. MOFs with hydrogen uptake approaching the DOE gravimetric storage goal under reasonable pressure but cryo- temperature (typically 77 K) were achieved. However, the weak interaction between hydrogen molecules and MOFs has been the major hurdle limiting the hydrogen uptake of MOFs at ambient temperature. Along the road, we have realized both high surface area and strong interaction between framework and hydrogen are equally essential for porous materials to be practically applicable in Hydrogen storage. Increasing the isosteric heats of adsorption for hydrogen through the introduction of active centers into the framework could have great potential on rendering the framework with strong interaction toward hydrogen. Approaches on increasing the surface areas and improving hydrogen affinity by optimizing size and structure of the pores and the alignment of active centers around the pores in frameworks have been pursued, for example: (a) the introduction of coordinatively UMC (represents a metal center missing multiple ligands) with potential capability of multiple dihydrogen-binding (Kubas type, non-dissociative) per UMC, (b) the design and synthesis of proton-rich MOFs in which a + H3 binds dihydrogen just like a metal ion does, and (c) the preparation of MOFs and PPNs with well aligned internal electric fields. We believe the

Adsorption of hydrogen in Scandium/Titanium decorated nitrogen doped carbon nanotube

Energy Technology Data Exchange (ETDEWEB)

Mananghaya, Michael, E-mail: mikemananghaya@gmail.com [De La Salle University, 2401 Taft Ave, 0922, Manila (Philippines); DLSU STC Laguna Boulevard, LTI Spine Road Barangays Biñan and Malamig, Biñan City, Laguna (Philippines); DOST-ASTHRDP, PCIEERD, Gen. Santos Ave., Bicutan, Taguig City 1631 (Philippines); Belo, Lawrence Phoa; Beltran, Arnel [De La Salle University, 2401 Taft Ave, 0922, Manila (Philippines); DLSU STC Laguna Boulevard, LTI Spine Road Barangays Biñan and Malamig, Biñan City, Laguna (Philippines)

2016-09-01

Nitrogen doped Carbon Nanotube with divacancy (4ND-CN{sub x}NT) that is decorated with Scandium and Titanium as potential hydrogen storage medium using the pseudo potential density functional method was investigated. Highly localized states near the Fermi level, which are derived from the nitrogen defects, contribute to strong Sc and Ti bindings, which prevent metal aggregation and improve the material stability. A detailed Comparison of the Hydrogen adsorption capability with promising system-weight efficiency of Sc over Ti was elucidated when functionalized with 4ND-CN{sub x}NT. Finally, the (Sc/4ND){sub 10}-CN{sub x}CNT composite material has a thermodynamically favorable adsorption and consecutive adsorption energy for ideal reversible adsorption and desorption of hydrogen at room temperature such that it can hold at least 5.8 wt% hydrogen molecules at the LDA and GGA level. - Highlights: • Carbon Nanotube with divacancy (4ND-CN{sub x}NT) decorated with Sc and Ti. • Nitrogen defects, contribute to strong Sc and Ti bindings. • H{sub 2} and (Sc/4ND){sub 10}-CN{sub x}CNT has a favorable adsorption. • 5.8 wt% adsorption at the LDA and GGA level.

Theoretical study of hydrogen adsorption of graphene and carbon nanotubes decorated with palladium

International Nuclear Information System (INIS)

Lopez Corral, Ignacio; German, Estefania; Volpe, Maria A; Brizuela, Graciela; Juan, Alfredo

2008-01-01

Since their discovery in 1991, carbon nanotubes (CNT) have awakened great interest in materials science thanks to their extraordinary structural, electronic and mechanical properties which facilitate their application in many different areas. One of the most promising applications is the possibility of using CNT to store hydrogen for use in small scale fuel cells. Unfortunately, experimental studies performed some years ago have often led to controversial conclusions, causing a continuing debate that has still not been resolved. The most recent work suggests that the storage of hydrogen for practical purposes can be achieved with CNT decorated with transition metals, for example Pd. In this context, theoretical modeling methods have to be used for a detailed understanding of the influence and scope of this type of modification in the interaction of the nanotubes with atomic or molecular hydrogen. This work studied hydrogen adsorption in single-walled carbon nanotubes (SWCNT) doped with Pd atoms, using density functional theory (DFT) and semi-empirical methods. As a preliminary approximation to the system a graphene sheet was used, modeled with a 190 atom cluster of C in a hexagonal arrangement, on which a single Pd atom was placed in adsorption sites. Then C 190 clusters were used to simulate two different types of SWCNT: the zigzag SWCNT of quirality (10.0) and the armchair SWCNT of quirality (5.5), both decorated similarly on the graphene. Geometric optimization procedures for the system's different components were carried out with these models, and then the changes produced during the adsorption process in the electronic occupation of atomic orbitals and unions, for which crystal orbital overlap population (COOP) curves and overlap population (OP) values were evaluated. The results obtained with the graphene and nanotube approximations are in agreement and show that the SWCNT modified with Pd have more capacity to trap hydrogen than the non doped SWCNT. The

Charge Modulation in Graphitic Carbon Nitride as a Switchable Approach to High-Capacity Hydrogen Storage.

Science.gov (United States)

Tan, Xin; Kou, Liangzhi; Tahini, Hassan A; Smith, Sean C

2015-11-01

Electrical charging of graphitic carbon nitride nanosheets (g-C4 N3 and g-C3 N4 ) is proposed as a strategy for high-capacity and electrocatalytically switchable hydrogen storage. Using first-principle calculations, we found that the adsorption energy of H2 molecules on graphitic carbon nitride nanosheets is dramatically enhanced by injecting extra electrons into the adsorbent. At full hydrogen coverage, the negatively charged graphitic carbon nitride achieves storage capacities up to 6-7 wt %. In contrast to other hydrogen storage approaches, the storage/release occurs spontaneously once extra electrons are introduced or removed, and these processes can be simply controlled by switching on/off the charging voltage. Therefore, this approach promises both facile reversibility and tunable kinetics without the need of specific catalysts. Importantly, g-C4 N3 has good electrical conductivity and high electron mobility, which can be a very good candidate for electron injection/release. These predictions may prove to be instrumental in searching for a new class of high-capacity hydrogen storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of nitrogen doping of graphene oxide on hydrogen and hydroxyl adsorption

Energy Technology Data Exchange (ETDEWEB)

Min, Byeong June; Jeong, Hae Kyung [Daegu University, Kyungsan (Korea, Republic of)

2014-05-15

We investigate how nitrogen-doping affects the hydrogen (H) and the hydroxyl (OH) adsorption on graphene oxide (GO) and on nitrogen-doped GO (NGO) via pseudopotential plane wave density functional calculations within the local spin density approximation. We find that the nitrogen doping brings about drastic changes in the hydrogen and the hydroxyl adsorption energetics, but its effects depend sensitively on the nitrogen configuration in NGO. The H and the OH adsorption energies are comparable only for pyrrolic NGO. In GO and quarternary NGO, the H adsorption energy is greater than the OH adsorption energy while the trend is reversed in pyridinic NGO. Also, the OH adsorption process is less affected by nitrogen-doping than the H adsorption is.

Textural development and hydrogen adsorption of carbon materials from PET waste

International Nuclear Information System (INIS)

Parra, J.B.; Ania, C.O.; Arenillas, A.; Rubiera, F.; Palacios, J.M.; Pis, J.J.

2004-01-01

Polyethyleneterephthalate (PET) has become one of the major post-consumer plastic wastes. PET products present a problem of considerable concern due to the huge amount of solid waste produced. The disposal of this waste, together with its low bio- and photo-degradability represents a serious challenge for industrial countries all over the world. Pyrolysis could provide an alternative and economically viable route for processing PET waste due to the potential uses of different by-products: energy from the pyrolysis gases (58% yield in this work), recovery of terephthalic acid and other subproducts (20%), and a solid residue (22%), which has shown a high textural development after activation. The pyrolysis of PET waste was performed in a quartz reactor (i.d. 35 mm) under an inert atmosphere. Further activation was carried out at a temperature of 925 deg. C, with a flow rate of 10 ml min -1 of CO 2 . A series of carbon materials with different burn-off degrees was obtained. Textural characterisation of the samples was carried out by performing N 2 adsorption isotherms at -196 deg. C. Changes in the morphological and structural properties of chars were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The carbons obtained were isotropic and highly microporous materials with apparent BET surface areas of up to 2500 m 2 g -1 . The suitability of the samples for hydrogen storage was studied by performing H 2 adsorption measurements in the 0-1 bar pressure range. Adsorption-desorption experiments showed that reversible physisorption takes place in all the samples. The hydrogen adsorption capacities of the activated PET waste compare favourably well with those attained with high-value carbon materials

Conceptual design of hydrogen isotopes chromatographic separation system with super large capacity

International Nuclear Information System (INIS)

Xie Bo; Weng Kuiping; Liu Yunnu; Hou Jianping

2012-01-01

A super large capacity hydrogen isotopes separation system, including total plan, unit (including making and purification of gas, three-grade chromatographic columns, gas loop and auto-control, and carrier recovery) and experimental scheme, had been designed on the basis of a series of hydrogen-deuterium experiments by temperature programmed de- sorption. The characteristic of the system was that desorption kinetic parameters could be directly calculated from the hydrogen isotope separation desorption spectra information. In other words, the complicated dynamic process of separation could be described by the desorption rate equation, shape parameter and desorption activation energy calculation on the condition of the experimental data and appropriate assumptions (equilibrium and adsorption, uniform surface). In previous work, an experimental series of operation to verify the successive enrichment of D 2 from a H 2 -D 2 mixture, the production of the deuterium from natural hydrogen and the recovery of tritium such as from the nuclear heavy-water were carried out using MS5A at 77 K. This work was only conceptual design, so it was necessary to identify the availability of super large capacity system by experiment. (authors)

Evaluation of the potassium adsorption capacity of a potassium adsorption filter during rapid blood transfusion.

Science.gov (United States)

Matsuura, H; Akatsuka, Y; Muramatsu, C; Isogai, S; Sugiura, Y; Arakawa, S; Murayama, M; Kurahashi, M; Takasuga, H; Oshige, T; Yuba, T; Mizuta, S; Emi, N

2015-05-01

The concentration of extracellular potassium in red blood cell concentrates (RCCs) increases during storage, leading to risk of hyperkalemia. A potassium adsorption filter (PAF) can eliminate the potassium at normal blood transfusion. This study aimed to investigate the potassium adsorption capacity of a PAF during rapid blood transfusion. We tested several different potassium concentrations under a rapid transfusion condition using a pressure bag. The adsorption rates of the 70-mEq/l model were 76·8%. The PAF showed good potassium adsorption capacity, suggesting that this filter may provide a convenient method to prevent hyperkalemia during rapid blood transfusion. © 2015 International Society of Blood Transfusion.

Natural diatomite modified as novel hydrogen storage material

Science.gov (United States)

Jin, Jiao; Zheng, Chenghui; Yang, Huaming

2014-03-01

Natural diatomite, subjected to different modifications, is investigated for hydrogen adsorption capacities at room temperature. An effective metal-modified strategy is developed to disperse platinum (Pt) and palladium (Pd) nanoparticles on the surface of diatomite. Hydrogen adsorption capacity of pristine diatomite (diatomite) is 0.463 wt.% at 2.63 MPa and 298 K, among the highest of the known sorbents, while that of acid-thermally activated diatomite (A-diatomite) could reach up to 0.833 wt.% due to the appropriate pore properties by activation. By incorporation with a small amount of Pt and Pd ( 0.5 wt.%), hydrogen adsorption capacities are enhanced to 0.696 wt.% and 0.980 wt.%, respectively, indicating that activated diatomite shows interesting application in the field of hydrogen storage at room temperature.

Adsorption of multi-heavy metals Zn and Cu onto surficial sediments: modeling and adsorption capacity analysis.

Science.gov (United States)

Li, Shanshan; Zhang, Chen; Wang, Meng; Li, Yu

2014-01-01

Improved multiple regression adsorption models (IMRAMs) was developed to estimate the adsorption capacity of the components [Fe oxides (Fe), Mn oxides (Mn), organic materials (OMs), residuals] in surficial sediments for multi-heavy metal Zn and Cu. IMRAM is an improved version over MRAM, which introduces a computer program in the model developing process. As MRAM, Zn(Cu) IMRAM, and Cu(Zn) IMRAM again confirmed that there is significant interaction effects that control the adsorption of compounded Zn and Cu, which was neglected by additional adsorption model. The verification experiment shows that the relative deviation of the IMRAMs is less than 13%. It is revealed by the IMRAMs that Mn, which has the greatest adsorption capability for compounded Zn and Cu (54.889 and 161.180 mg/l, respectively), follows by interference adsorption capacity of Fe/Mn (-1.072 and -24.591 mg/l respectively). Zn and Cu influence each other through different mechanisms. When Zn is the adsorbate, compounded Cu mainly affects the adsorption capacities of Fe/Mn and Fe/Mn/OMs; while when Cu is the adsorbate, compounded Zn mainly exerts its effect on Mn, Fe/Mn, and Mn/OMs. It also shows that the compounded Zn or Cu weakened the interference adsorption of Fe/Mn, and meanwhile, strengthened the interference adsorption of Mn/OMs.

High-capacity hydrogen storage in Li-adsorbed g-C{sub 3}N{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Wei, Jianfeng; Huang, Chengxi; Wu, Haiping, E-mail: mrhpwu@njust.edu.cn; Kan, Erjun, E-mail: ekan@njust.edu.cn

2016-09-01

Since hydrogen is a kind of potential source of efficient and pollution-free energy, it has attracted great research interests in recent years. However, the lack of safe and efficient hydrogen storage materials has blocked the rapid development of hydrogen energy. Here, we explored the possibility of Li-decorated g-C{sub 3}N{sub 4} as a kind of potential hydrogen storage materials based on first-principles calculations. Our results demonstrated that the adsorption energy of Li atoms on g-C{sub 3}N{sub 4} is much larger than the cohesive energy of bulk Li. Importantly, we find that the binding energy of each H{sub 2} molecule is about 0.29 eV, which is quite suitable for hydrogen storage. Furthermore, the estimated hydrogen storage capacity is around 9.2 wt %, which beyonds the goal of DOE. Thus, we predicted that Li-decorated g-C{sub 3}N{sub 4} may act as the potential hydrogen storage materials. - Highlights: • We explored the possibility of Li-decorated g-C{sub 3}N{sub 4} as a kind of potential hydrogen storage material. • We demonstrated the binding energy of each H{sub 2} molecule is 0.29 eV, which is quite suitable for hydrogen storage materials. • The hydrogen storage capacity is estimated around 9.2 wt %.

Benzene adsorption and hydrogenation on Pd-Ru alloy by pulse chromatography

International Nuclear Information System (INIS)

Dobrokhotov, V.G.; Pavlova, L.F.; Gryaznov, V.M.

1983-01-01

Pulse chromatography has been applied to investigate benzene adsorption and hydrogenation on the Walls of a capillary of the Pd-6% Ru alloy at different hydrogen contents in the alloy and various methods of hydrogen supply: as a mixture with benzene vapors or by diffusion through the walls of the capillary. It is stated that reversible adsorption of benzene vapors on the Pd-6% Ru alloy at 303 K under the conditions of the β-phase existence in the alloy-hydrogen system does not change whereas in the region of the α-phase existence it slightly increases with a growth of hydrogen pressure. Strongly adsorbed benzene occupies approximately 7% of the surface. Only strongly adsorbed benzene is hydrogenated on the α-phase of the alloy-hydrogen system. Hydrogen supply to the hydrogenation zone by diffusion throUgh the alloy results in supersaturation of the surface active in the reaction of benzene hydrogenation with a chemisorbed hydrogen form

Enhanced hydrogen storage capacity of Ni/Sn-coated MWCNT nanocomposites

Science.gov (United States)

Varshoy, Shokufeh; Khoshnevisan, Bahram; Behpour, Mohsen

2018-02-01

The hydrogen storage capacity of Ni-Sn, Ni-Sn/multi-walled carbon nanotube (MWCNT) and Ni/Sn-coated MWCNT electrodes was investigated by using a chronopotentiometry method. The Sn layer was electrochemically deposited inside pores of nanoscale Ni foam. The MWCNTs were put on the Ni-Sn foam with nanoscale porosities using an electrophoretic deposition method and coated with Sn nanoparticles by an electroplating process. X-ray diffraction and energy dispersive spectroscopy results indicated that the Sn layer and MWCNTs are successfully deposited on the surface of Ni substrate. On the other hand, a field-emission scanning electron microscopy technique revealed the morphology of resulting Ni foam, Ni-Sn and Ni-Sn/MWCNT electrodes. In order to measure the hydrogen adsorption performed in a three electrode cell, the Ni-Sn, Ni-Sn/MWCNT and Ni/Sn-coated MWCNT electrodes were used as working electrodes whereas Pt and Ag/AgCl electrodes were employed as counter and reference electrodes, respectively. Our results on the discharge capacity in different electrodes represent that the Ni/Sn-coated MWCNT has a maximum discharge capacity of ˜30 000 mAh g-1 for 20 cycles compared to that of Ni-Sn/MWCNT electrodes for 15 cycles (˜9500 mAh g-1). By increasing the number of cycles in a constant current, the corresponding capacity increases, thereby reaching a constant amount for 20 cycles.

Evaluation of adsorption capacity of acetaminophen on activated ...

African Journals Online (AJOL)

Purpose: To investigate varying dosage forms of activated charcoal obtained from community pharmacy outlets in Nigeria for their adsorption capacity when challenged with acetaminophen. Methods: Equilibruim kinetics of acetaminophen adsorption onto activated charcoal surface was determined via batch studies at ...

Textural development and hydrogen adsorption of carbon materials from PET waste

Energy Technology Data Exchange (ETDEWEB)

Parra, J.B.; Ania, C.O.; Arenillas, A.; Rubiera, F.; Palacios, J.M.; Pis, J.J

2004-10-06

Polyethyleneterephthalate (PET) has become one of the major post-consumer plastic wastes. PET products present a problem of considerable concern due to the huge amount of solid waste produced. The disposal of this waste, together with its low bio- and photo-degradability represents a serious challenge for industrial countries all over the world. Pyrolysis could provide an alternative and economically viable route for processing PET waste due to the potential uses of different by-products: energy from the pyrolysis gases (58% yield in this work), recovery of terephthalic acid and other subproducts (20%), and a solid residue (22%), which has shown a high textural development after activation. The pyrolysis of PET waste was performed in a quartz reactor (i.d. 35 mm) under an inert atmosphere. Further activation was carried out at a temperature of 925 deg. C, with a flow rate of 10 ml min{sup -1} of CO{sub 2}. A series of carbon materials with different burn-off degrees was obtained. Textural characterisation of the samples was carried out by performing N{sub 2} adsorption isotherms at -196 deg. C. Changes in the morphological and structural properties of chars were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The carbons obtained were isotropic and highly microporous materials with apparent BET surface areas of up to 2500 m{sup 2} g{sup -1}. The suitability of the samples for hydrogen storage was studied by performing H{sub 2} adsorption measurements in the 0-1 bar pressure range. Adsorption-desorption experiments showed that reversible physisorption takes place in all the samples. The hydrogen adsorption capacities of the activated PET waste compare favourably well with those attained with high-value carbon materials.

Hydrogen adsorption in carbon nanostructures compared

NARCIS (Netherlands)

Schimmel, H.G.; Nijkamp, M.G.; Kearley, G.J.; Rivera, A.; de Jong, K.P.; Mulder, F.M.

2004-01-01

Recent reports continue to suggest high hydrogen storage capacities for some carbon nanostructures due to a stronger interaction between hydrogen and carbon. Here the interaction of hydrogen with activated charcoal, carbon nanofibers, single walled carbon nanotubes (SWNT), and electron beam ‘opened’

Morphology-controllable synthesis and characterization of carbon nanotube/polypyrrole composites and their hydrogen storage capacities

Energy Technology Data Exchange (ETDEWEB)

Okan, Burcu Saner, E-mail: bsanerokan@sabanciuniv.edu [Sabancı University Nanotechnology Research and Application Center, SUNUM, Tuzla, Istanbul 34956 (Turkey); Zanjani, Jamal Seyyed Monfared [Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla, Istanbul 34956 (Turkey); Letofsky-Papst, Ilse [Institute for Electron Microscopy, Graz University of Technology, Steyrergasse 17, A-8010, Graz (Austria); Cebeci, Fevzi Çakmak; Menceloglu, Yusuf Z. [Sabancı University Nanotechnology Research and Application Center, SUNUM, Tuzla, Istanbul 34956 (Turkey); Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla, Istanbul 34956 (Turkey)

2015-11-01

oxidized CNT. • CNT/polypyrrole composite has the highest hydrogen adsorption capacity (1.66 wt%). • Polymer coating and chemical oxidation affects hydrogen sorption isotherms.

Adsorption of hydrogen and deuterium on modified molecular sieves

International Nuclear Information System (INIS)

Li Jing; Shi Jinsong; Wu Erdong; Li Xiongwei; Peng Lixia

2013-01-01

The adsorption characteristics of hydrogen isotopes on 5A, ZSM-5 and their modified molecular sieves were studied at liquid nitrogen temperature with volumetric method. The effects of modification methods such as transition metal salt loading and ball milling on the adsorption behavior were discussed. It is observed that the adsorption amounts on the modified molecular sieves are reduced. but some modifications contribute to the separation between H 2 and D 2 . (authors)

Advanced nanostructured materials as media for hydrogen storage

International Nuclear Information System (INIS)

David, E.; Niculescu, V.; Armeanu, A.; Sandru, C.; Constantinescu, M.; Sisu, C.

2005-01-01

Full text: In a future sustainable energy system based on renewable energy, environmentally harmless energy carriers like hydrogen, will be of crucial importance. One of the major impediments for the transition to a hydrogen based energy system is the lack of satisfactory hydrogen storage alternatives. Hydrogen storage in nanostructured materials has been proposed as a solution for adequate hydrogen storage for a number of applications, in particular for transportation. This paper is a preliminary study with the focus on possibilities for hydrogen storage in zeolites, alumina and nanostructured carbon materials. The adsorption properties of these materials were evaluated in correlation with their internal structure. From N 2 physisorption data the BET surface area (S BET ) , total pore volume (PV), micropore volume (MPV) and total surface area (S t ) were derived. H 2 physisorption measurements were performed at 77 K and a pressure value of 1 bar. From these data the adsorption capacities of sorbent materials were determined. Apparently the microporous adsorbents, e.g activated carbons, display appreciable sorption capacities. Based on their micropore volume, carbon-based sorbents have the largest adsorption capacity for H 2 , over 230 cm 3 (STP)/g, at the previous conditions. By increasing the micropore volume (∼ 1 cm 3 /g) of sorbents and optimizing the adsorption conditions it is expected to obtain an adsorption capacity of ∼ 560 cm 3 (STP)/g, close to targets set for mobile applications. (authors)

Effect of the impregnation of carbon cloth with ethylenediaminetetraacetic acid on its adsorption capacity for the adsorption of several metal ions

International Nuclear Information System (INIS)

Afkhami, Abbas; Madrakian, Tayyebeh; Amini, Azadeh; Karimi, Ziba

2008-01-01

Effect of loading of C-cloth with ethylenediaminetetraacetic acid (EDTA) on the adsorption capacity for the adsorption of several metal cations was studied. The concentration of ions in the solution was monitored using atomic absorption spectrometry. The adsorption isotherm data for the cations were derived at 25 deg. C and treated according to Langmuir and Freundlich models and was found that for most of the investigated cations Langmuir model was more successful. Adsorption capacities determined from Langmuir isotherms. Loading of the adsorbent with EDTA increased the adsorption capacity for the adsorption of all of the investigation ions

Comparative study of hydrogen storage on metal doped mesoporous materials

Science.gov (United States)

Carraro, P. M.; Sapag, K.; Oliva, M. I.; Eimer, G. A.

2018-06-01

The hydrogen adsorption capacity of mesoporous materials MCM-41 modified with Co, Fe, Ti, Mg and Ni at 77 K and 10 bar was investigated. Various techniques including XRD, N2 adsorption and DRUV-vis were employed for the materials characterization. The results showed that a low nickel loading on MCM-41 support promoted the presence of hydrogen-favorable sites, increasing the hydrogen storage capacity.

Cadmium adsorption by coal combustion ashes-based sorbents-Relationship between sorbent properties and adsorption capacity

Energy Technology Data Exchange (ETDEWEB)

Balsamo, Marco; Di Natale, Francesco; Erto, Alessandro; Lancia, Amedeo [Dipartimento di Ingegneria Chimica, Universita degli Studi di Napoli Federico II, Piazzale Vincenzo Tecchio 80, 80125 Napoli (Italy); Montagnaro, Fabio, E-mail: fabio.montagnaro@unina.it [Dipartimento di Chimica, Universita degli Studi di Napoli Federico II, Complesso Universitario di Monte Sant' Angelo, 80126 Napoli (Italy); Santoro, Luciano [Dipartimento di Chimica, Universita degli Studi di Napoli Federico II, Complesso Universitario di Monte Sant' Angelo, 80126 Napoli (Italy)

2011-03-15

A very interesting possibility of coal combustion ashes reutilization is their use as adsorbent materials, that can also take advantage from proper beneficiation techniques. In this work, adsorption of cadmium from aqueous solutions was taken into consideration, with the emphasis on the intertwining among waste properties, beneficiation treatments, properties of the beneficiated materials and adsorption capacity. The characterization of three solid materials used as cadmium sorbents (as-received ash, ash sieved through a 25 {mu}m-size sieve and demineralized ash) was carried out by chemical analysis, infrared spectroscopy, laser granulometry and mercury porosimetry. Cadmium adsorption thermodynamic and kinetic tests were conducted at room temperature, and test solutions were analyzed by atomic absorption spectrophotometry. Maximum specific adsorption capacities resulted in the range 0.5-4.3 mg g{sup -1}. Different existing models were critically considered to find out an interpretation of the controlling mechanism for adsorption kinetics. In particular, it was observed that for lower surface coverage the adsorption rate is governed by a linear driving force while, once surface coverage becomes significant, mechanisms such as the intraparticle micropore diffusion may come into play. Moreover, it was shown that both external fluid-to-particle mass transfer and macropore diffusion hardly affect the adsorption process, which was instead regulated by intraparticle micropore diffusion: characteristic times for this process ranged from 4.1 to 6.1 d, and were fully consistent with the experimentally observed equilibrium times. Results were discussed in terms of the relationship among properties of beneficiated materials and cadmium adsorption capacity. Results shed light on interesting correlations among solid properties, cadmium capture rate and maximum cadmium uptake.

A study on hydrogen adsorption behaviors of open-tip carbon nanocones

International Nuclear Information System (INIS)

Liao Mingliang

2012-01-01

Hydrogen adsorption behaviors of single-walled open-tip (tip-truncated) carbon nanocones (CNCs) with apex angles of 19.2° at temperatures of 77 and 300 K were investigated by the molecular dynamics simulations. Four nanomaterials (including three CNCs with different dimensions and a reference CNT) were analyzed to examine the hydrogen adsorption behaviors and influences of cone sharpness on the behaviors of the CNCs. Physisorption of hydrogen molecules could be observed from the distribution pattern of the hydrogen molecules adsorbed on the nanomaterials. Because of the cone geometry effect, the open-tip CNCs could have larger storage weight percentage and less desorption of hydrogen molecules (caused by the temperature growth) on their outer surfaces, as compared with those of the reference CNT. The hydrogen molecules inside the CNCs and the reference CNT, however, were noted to have similar desorption behaviors owing to the confinement effects from the structures of the nanomaterials. In addition, the sharper CNC could have higher storage weight percentage but the cone sharpness does not have evident enhancement in the average adsorption energy of the CNC. Combination of confinement and repulsion effects existing near the tip region of the CNC would be responsible for the non-enhancement feature.

A DFT study of hydrogen adsorption on Be, Mg and Ca frameworks in erionite zeolite

Energy Technology Data Exchange (ETDEWEB)

Fellah, Mehmet Ferdi, E-mail: mferdi.fellah@btu.edu.tr

2017-02-01

Highlights: • Mg-ERI and Ca-ERI clusters have much lower chemical potential and hardness. • Adsorption enthalpies for Mg- and Ca-ERI are importantly greater than the liquefaction enthalpy of hydrogen. • Mg-ERI and Ca-ERI clusters have much HOMO-LUMO gap indicating higher reactivity. • Ca- and Mg-ERI are potential cryoadsorbent materials for hydrogen storage. - Abstract: The molecular hydrogen adsorption was investigated on additional frameworks with earth alkaline metal atoms (Be, Mg and Ca) in 24T ERI zeolite cluster model by means of Density Functional Theory study. HOMO and LUMO energy values, chemical potential, chemical hardness, electronegativity, adsorption energy and adsorption enthalpy values have been calculated in this study. Mg-ERI and Ca-ERI clusters have much lower chemical potentials with much lower adsorption energy values when compared to the value of Be-ERI cluster. Additionally, they are softer than Be-ERI cluster with respect to their lower chemical hardness values. Hydrogen adsorption enthalpy values were computed as −3.6 and −3.9 kJ/mol on Mg-ERI and Ca-ERI clusters, respectively. These adsorption enthalpy values are significantly larger than the enthalpy value of liquefaction for hydrogen molecule. This consequently specifies that Mg-ERI and Ca-ERI zeolite structures which have higher chemical reactivity appear to be a promising candidate cryoadsorbent for hydrogen storage.

Adsorption of malachite green and iodine on rice husk-based porous carbon

International Nuclear Information System (INIS)

Guo Yupeng; Zhang Hui; Tao Nannan; Liu Yanhua; Qi Juirui; Wang Zichen; Xu Hongding

2003-01-01

Adsorption isotherms of I 2 and malachite green (MG) by rice husk-based porous carbons (RHCs) from aqueous medium have been studied. Three samples of carbons prepared by NaOH-activation, three samples prepared by KOH-activation and two samples of commercial carbons have been studied. And the adsorption isotherms have been determined after modifying the carbon surfaces by oxidation with nitric acid and hydrogen peroxide and after degassing at 800 deg. C. The results have been found to follow the Freundlich adsorption isotherm. Three samples of N series have larger capacity for removing I 2 and MG from solution compared to that of the tested commercial carbons. The adsorption capacity of I 2 is similar for K series and commercial carbons. And the capacity of commercial carbons for MG is larger than K series. The adsorption capacity of I 2 on oxidation carbons has increased for hydrogen peroxide treatment and decreased for nitric acid, and that of MG is decreased. But the adsorption capacities of I 2 and MG increase on degassing. On the other hand, the adsorption of I 2 increases after modifying the carbon surfaces by HCl without oxidation. Suitable mechanisms have been proposed

Hydrogen adsorption in the series of carbon nanostructures: Graphenes-graphene nanotubes-nanocrystallites

Science.gov (United States)

Soldatov, A. P.; Kirichenko, A. N.; Tat'yanin, E. V.

2016-07-01

A comparative analysis of hydrogen absorption capability is performed for the first time for three types of carbon nanostructures: graphenes, oriented carbon nanotubes with graphene walls (OCNTGs), and pyrocarbon nanocrystallites (PCNs) synthesized in the pores of TRUMEM ultrafiltration membranes with mean diameters ( D m) of 50 and 90 nm, using methane as the pyrolized gas. The morphology of the carbon nanostructures is studied by means of powder X-ray diffraction, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and transmission electron microscopy (TEM). Hydrogen adsorption is investigated via thermogravimetric analysis (TGA) in combination with mass-spectrometry. It is shown that only OCNTGs can adsorb and store hydrogen, the desorption of which under atmospheric pressure occurs at a temperature of around 175°C. Hydrogen adsorption by OCNTGs is quantitatively determined and found to be about 1.5% of their mass. Applying certain assumptions, the relationship between the mass of carbon required for the formation of single-wall OCNTGs in membrane pores and the surface area of pores is established. Numerical factor Ψ = m dep/ m calc, where m dep is the actual mass of carbon deposited upon the formation of OCNTGs and mcalc is the calculated mass of carbon necessary for the formation of OCNTGs is introduced. It is found that the dependence of specific hydrogen adsorption on the magnitude of the factor has a maximum at Ψ = 1.2, and OCNTGs can adsorb and store hydrogen in the interval 0.4 to 0.6 hydrogen adsorption and its relationship to the structure of carbon nanoformations are examined.

Influence of hydrogen bond accepting ability of anions on the adsorption performance of ionic liquid surface molecularly imprinted polymers.

Science.gov (United States)

Zhu, Guifen; Gao, Xia; Wang, Xiaolong; Wang, Jianji; Fan, Jing

2018-01-12

To illuminate the influence mechanism of anionic structure of ionic liquids (ILs) on the adsorption performance of surface molecularly imprinted polymers (MIPs), in this work, six newly designed MIPs were prepared on the surface of amino-poly(styrene-divinylbenzene) particles by using imidazolium ILs with the same cation [C 4 mim] + but different anions (Cl, CH 3 SO 3 , PF 6 , BF 4 , C 4 F 7 O 2 , C 4 F 9 SO 3 ) as template molecules, methacrylic acid as functional monomer, and ethylene dimethacrylate as cross-linker. The resulting MIP materials were characterized by IR and SEM, and the influence of hydrogen bond accepting ability of anions on the adsorption performance of the MIPs for the ILs was investigated in acetonitrile. It was found that adsorption capacity of the MIPs towards the ILs decreased in the order MIP [C4mim][Cl]  > MIP [C4mim][C4F7O2]  ≥ MIP [C4mim][BF4] and MIP [C4mim][CH3SO3]  > MIP [C4mim][C4F9SO3]  > MIP [C4mim][PF6] , which is in good agreement with the ability of anions of the ILs to form hydrogen bonds. Ultraviolet, 1 H-NMR and 35 Cl-NMR spectroscopy was then used to study the interactions of anions of the ILs with the functional monomer. It was found that the hydrogen bond interaction between anions of the ILs and acidic proton of the functional monomer was the main driving force for the high adsorption selectivity of the imprinted polymers, and the stronger hydrogen bond interaction indicates higher binding capacity and higher selectivity of the polymers towards the ILs. It was also verified that the ILs with stronger hydrogen bond accepting ability of anions could be selectively extracted by the corresponding IL-MIPs. These results may provide new insight into the recognition mechanism of MIPs for ILs, and are also useful for the rational design of this new class of imprinting materials. Copyright © 2017 Elsevier B.V. All rights reserved.

A density functional study on the adsorption of hydrogen molecule

Indian Academy of Sciences (India)

An all-electron scalar relativistic calculation on the adsorption of hydrogen molecule onto small copper clusters has been performed by using density functional theory with the generalized gradient approximation (GGA) at PW91 level. Our results reveal that after adsorption of H2 molecule, the Cu-Cu interaction is ...

Capacity retention in hydrogen storage alloys

Science.gov (United States)

Anani, A.; Visintin, A.; Srinivasan, S.; Appleby, A. J.; Reilly, J. J.; Johnson, J. R.

1992-01-01

Results of our examination of the properties of several candidate materials for hydrogen storage electrodes and their relation to the decrease in H-storage capacity upon open-circuit storage over time are reported. In some of the alloy samples examined to date, only about 10 percent of the hydrogen capacity was lost upon storage for 20 days, while in others, this number was as high as 30 percent for the same period of time. This loss in capacity is attributed to two separate mechanisms: (1) hydrogen desorbed from the electrode due to pressure differences between the cell and the electrode sample; and (2) chemical and/or electrochemical degradation of the alloy electrode upon exposure to the cell environment. The former process is a direct consequence of the equilibrium dissociation pressure of the hydride alloy phase and the partial pressure of hydrogen in the hydride phase in equilibrium with that in the electrolyte environment, while the latter is related to the stability of the alloy phase in the cell environment. Comparison of the equilibrium gas-phase dissociation pressures of these alloys indicate that reversible loss of hydrogen capacity is higher in alloys with P(eqm) greater than 1 atm than in those with P(eqm) less than 1 atm.

Hydrogen adsorption on activated carbon nanotubes with an atomic-sized vanadium catalyst investigated by electrical resistance measurements

International Nuclear Information System (INIS)

Im, Ji Sun; Yun, Jumi; Kang, Seok Chang; Lee, Sung Kyu; Lee, Young-Seak

2012-01-01

Activated multi-walled carbon nanotubes were prepared with appended vanadium as a hydrogen storage medium. The pore structure was significantly improved by an activation process that was studied using Raman spectroscopy, field emission transmission electron microscopy and pore analysis techniques. X-ray photoelectron spectroscopy and X-ray diffraction results reveal that the vanadium catalyst was introduced into the carbon nanotubes in controlled proportions, forming V 8 C 7 . The improved pore structure functioned as a path through the carbon nanotubes that encouraged hydrogen molecule adsorption, and the introduced vanadium catalyst led to high levels of hydrogen storage through the dissociation of hydrogen molecules via the spill-over phenomenon. The hydrogen storage behavior was investigated by electrical resistance measurements for the hydrogen adsorbed on a prepared sample. The proposed mechanism of hydrogen storage suggests that the vanadium catalyst increases not only the amount of hydrogen that is stored but also the speed at which it is stored. A hydrogen storage capacity of 2.26 wt.% was achieved with the activation effects and the vanadium catalyst at 30 °C and 10 MPa.

High capacity adsorption media and method of producing

Science.gov (United States)

Tranter, Troy J.; Mann, Nicholas R.; Todd, Terry A.; Herbst, Ronald S.

2010-10-05

A method of producing an adsorption medium to remove at least one constituent from a feed stream. The method comprises dissolving and/or suspending at least one metal compound in a solvent to form a metal solution, dissolving polyacrylonitrile into the metal solution to form a PAN-metal solution, and depositing the PAN-metal solution into a quenching bath to produce the adsorption medium. The at least one constituent, such as arsenic, selenium, or antimony, is removed from the feed stream by passing the feed stream through the adsorption medium. An adsorption medium having an increased metal loading and increased capacity for arresting the at least one constituent to be removed is also disclosed. The adsorption medium includes a polyacrylonitrile matrix and at least one metal hydroxide incorporated into the polyacrylonitrile matrix.

Increasing hydrogen storage capacity using tetrahydrofuran.

Science.gov (United States)

Sugahara, Takeshi; Haag, Joanna C; Prasad, Pinnelli S R; Warntjes, Ashleigh A; Sloan, E Dendy; Sum, Amadeu K; Koh, Carolyn A

2009-10-21

Hydrogen hydrates with tetrahydrofuran (THF) as a promoter molecule are investigated to probe critical unresolved observations regarding cage occupancy and storage capacity. We adopted a new preparation method, mixing solid powdered THF with ice and pressurizing with hydrogen at 70 MPa and 255 +/- 2 K (these formation conditions are insufficient to form pure hydrogen hydrates). All results from Raman microprobe spectroscopy, powder X-ray diffraction, and gas volumetric analysis show a strong dependence of hydrogen storage capacity on THF composition. Contrary to numerous recent reports that claim it is impossible to store H(2) in large cages with promoters, this work shows that, below a THF mole fraction of 0.01, H(2) molecules can occupy the large cages of the THF+H(2) structure II hydrate. As a result, by manipulating the promoter THF content, the hydrogen storage capacity was increased to approximately 3.4 wt % in the THF+H(2) hydrate system. This study shows the tuning effect may be used and developed for future science and practical applications.

Final Project Report for DOE/EERE High-Capacity and Low-Cost Hydrogen-Storage Sorbents for Automotive Applications

Energy Technology Data Exchange (ETDEWEB)

Zhou, Hong-Cai [Texas A & M Univ., College Station, TX (United States); Liu, Di-Jia [Texas A & M Univ., College Station, TX (United States)

2017-12-01

This report provides a review of the objectives, progress, and milestones of the research conducted during this project on the topic of developing innovative metal-organic frameworks (MOFs) and porous organic polymers (POPs) for high-capacity and low-cost hydrogen-storage sorbents in automotive applications.1 The objectives of the proposed research were to develop new materials as next-generation hydrogen storage sorbents that meet or exceed DOE’s 2017 performance targets of gravimetric capacity of 0.055 kg H₂/kg_system and volumetric capacity of 0.040 kg H₂/L_system at a cost of $400/kg H_{2 stored}. Texas A&M University (TAMU) and Argonne National Laboratory (ANL) collaborated in developing low-cost and high-capacity hydrogen-storage sorbents with appropriate stability, sorption kinetics, and thermal conductivity. The research scope and methods developed to achieve the project’s goals include the following: Advanced ligand design and synthesis to construct MOF sorbents with optimal hydrogen storage capacities, low cost and high stability; Substantially improve the hydrogen uptake capacity and chemical stability of MOF-based sorbents by incorporating high valent metal ions during synthesis or through the post-synthetic metal metathesis oxidation approach; Enhance sorbent storage capacity through material engineering and characterization; Generate a better understanding of the H₂-sorbent interaction through advanced characterization and simulation. Over the course of the project 5 different MOFs were developed and studied: PCN-250, PCN-12, PCN-12’, PCN-608 and PCN-609.2-3 Two different samples were submitted to the National Renewable Energy Laboratory (NREL) in order to validate their hydrogen adsorption capacity, PCN-250 and PCN-12. Neither of these samples reached the project’s Go/No-Go requirements but the data obtained did further prove the hypothesis that the presence of open metal

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B

2006-09-13

A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

Hydrogen storage by physisorption on porous materials

Energy Technology Data Exchange (ETDEWEB)

Panella, B.

2006-09-13

A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

External electric field: An effective way to prevent aggregation of Mg atoms on γ-graphyne for high hydrogen storage capacity

International Nuclear Information System (INIS)

Liu, Ping-Ping; Zhang, Hong; Cheng, Xin-Lu; Tang, Yong-Jian

2016-01-01

Highlights: • Due to large pores in the sheet of γ-graphyne, it should be a potential materials for energy storage applications. Our calculations might motivate active experimental efforts in designing high-efficiency hydrogen storage media. • For the first time, we use an applied external electric field to prevent Mg atoms from clustering using density functional theory (DFT) calculations. • The results demonstrate that, for Mg-G after electric field (F = 0.05 V/nm) treatment, ten H_2 molecules per Mg atom can be adsorbed and the hydrogen storage capacities reach to 10.64 wt%, with the average binding energies of 0.28 eV/H_2. - Abstract: In this article, we investigate the hydrogen storage capacity of Mg-decorated γ-graphyne (Mg-G) based on DFT calculations. Our results indicate that an external electric field can effectively prevent Mg atoms aggregating on γ-graphyne sheet. The Mg-G, after electric field (F = 0.05 V/nm) treatment, can store up to ten H_2 molecules and the hydrogen storage capacity is 10.64 wt%, with the average adsorption energy of 0.28 eV/H_2. Our calculations demonstrate that Mg-G is a potential material for hydrogen storage with high capacity and might motivate active experimental efforts in designing hydrogen storage media.

Hydrogen adsorption on metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs)

Energy Technology Data Exchange (ETDEWEB)

Poirier, E.; Chahine, R.; Benard, P.; Lafi, L.; Dorval-Douville, G.; Chandonia, P.-A. [Univ. du Quebec a Trois-Rivieres, Inst. de recherche sur l' hydrogene, Trois-Rivieres, Quebec (Canada)]. E-mail: Lyubov.Lafi@uqtr.ca

2006-07-01

'Full text:' In recent years, several novel carbon-based microporous materials such as single-walled carbon nanotubes (SWNTs) and metal-organic frameworks (MOFs) have been proposed as promising adsorbents for hydrogen. Hydrogen adsorption measurements on Al-, Cr- and Zn-based metal-organic frameworks (MOFs) and single-walled carbon nanotubes (SWNTs) are presented. The measurements were performed at temperatures ranging from 77 to 300K and pressures up to 50 atm using a volumetric approach. The maximum excess adsorption at 77K ranges from 2,8 to 3,9 wt % for the MOFs and from 1,5 to 2,5 wt % for the SWNTs. These values are reached at pressures below 40 atm. At room temperature and 40 atm, modest amounts of hydrogen are adsorbed (< 0,4 wt %). A Dubinin-Astakhov (DA) approach is used to investigate the measured adsorption isotherms and retrieve energetic and structural parameters. The adsorption enthalpy averaged over filling is found to be about 2,9 kJ/mol for the MOF-5 and about 3,6 - 4,2 kJ/mol for SWNTs. The uptake of hydrogen on SWNTs and MOF-5 appears to be due to physisorption and can be described, through the DA-model, by a traditional theory of micropore filling. (author)

High coverage hydrogen adsorption on the Fe{sub 3}O{sub 4}(1 1 0) surface

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaohu, E-mail: yuxiaohu950203@126.com [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Zhang, Xuemei [College of Physics and Electrical Engineering, Anyang Normal University, Anyang, Henan 455000 (China); Wang, Shengguang [State Key laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001 (China); Synfuels China Co., Ltd., Huairou, Beijing 101407 (China)

2015-10-30

Graphical abstract: - Highlights: • Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been studied by DFT + U method. • The adsorption of hydrogen prefers surface oxygen atoms on both Fe{sub 3}O{sub 4}(1 1 0) surface layers. • The more stable A layer has stronger adsorption energy than the less stable B layer. • The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. - Abstract: Hydrogen adsorption on the A and B termination layers of the Fe{sub 3}O{sub 4}(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H{sub 2} on the A layer, and one dissociatively adsorbed H{sub 2} on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS).

Hydrogen storage in nanostructured materials

Energy Technology Data Exchange (ETDEWEB)

Assfour, Bassem

2011-02-28

Hydrogen is an appealing energy carrier for clean energy use. However, storage of hydrogen is still the main bottleneck for the realization of an energy economy based on hydrogen. Many materials with outstanding properties have been synthesized with the aim to store enough amount of hydrogen under ambient conditions. Such efforts need guidance from material science, which includes predictive theoretical tools. Carbon nanotubes were considered as promising candidates for hydrogen storage applications, but later on it was found to be unable to store enough amounts of hydrogen under ambient conditions. New arrangements of carbon nanotubes were constructed and hydrogen sorption properties were investigated using state-of-the-art simulation methods. The simulations indicate outstanding total hydrogen uptake (up to 19.0 wt.% at 77 K and 5.52wt.% at 300 K), which makes these materials excellent candidates for storage applications. This reopens the carbon route to superior materials for a hydrogen-based economy. Zeolite imidazolate frameworks are subclass of MOFs with an exceptional chemical and thermal stability. The hydrogen adsorption in ZIFs was investigated as a function of network geometry and organic linker exchange. Ab initio calculations performed at the MP2 level to obtain correct interaction energies between hydrogen molecules and the ZIF framework. Subsequently, GCMC simulations are carried out to obtain the hydrogen uptake of ZIFs at different thermodynamic conditions. The best of these materials (ZIF-8) is found to be able to store up to 5 wt.% at 77 K and high pressure. We expected possible improvement of hydrogen capacity of ZIFs by substituting the metal atom (Zn{sup 2+}) in the structure by lighter elements such as B or Li. Therefore, we investigated the energy landscape of LiB(IM)4 polymorphs in detail and analyzed their hydrogen storage capacities. The structure with the fau topology was shown to be one of the best materials for hydrogen storage. Its

Adsorption, hydrogenation and dehydrogenation of C2H on a CoCu bimetallic layer

Science.gov (United States)

Wu, Donghai; Yuan, Jinyun; Yang, Baocheng; Chen, Houyang

2018-05-01

In this paper, adsorption, hydrogenation and dehydrogenation of C2H on a single atomic layer of bimetallic CoCu were investigated using first-principles calculations. The CoCu bimetallic layer is formed by Cu replacement of partial Co atoms on the top layer of a Co(111) surface. Our adsorption and reaction results showed those sites, which have stronger adsorption energy of C2H, possess higher reactivity. The bimetallic layer possesses higher reactivity than either of the pure monometallic layer. A mechanism of higher reactivity of the bimetallic layer is proposed and identified, i.e. in the bimetallic catalyst, the catalytic performance of one component is promoted by the second component, and in our work, the catalytic performance of Co atoms in the bimetallic layer are improved by introducing Cu atoms, lowing the activation barrier of the reaction of C2H. The bimetallic layer could tune adsorption and reaction of C2H by modulating the ratio of Co and Cu. Results of adsorption energies and adsorption configurations reveal that C2H prefers to be adsorbed in parallel on both the pure Co metallic and CoCu bimetallic layers, and Co atoms in subsurface which support the metallic or bimetallic layer have little effect on C2H adsorption. For hydrogenation reactions, the products greatly depend on the concentration and initial positions of hydrogen atoms, and the C2H hydrogenation forming acetylene is more favorable than forming vinylidene in both thermodynamics and kinetics. This study would provide fundamental guidance for hydrocarbon reactions on Co-based and/or Cu-based bimetallic surface chemistry and for development of new bimetallic catalysts.

Analysis of oxygen and hydrogen adsorption on Nb(100) surface by scanning tunneling microscopy

International Nuclear Information System (INIS)

An, Bai; Wen, Mao; Fukuyama, Seiji; Yokogawa, Kiyoshi; Ichimura, Shingo; Yoshimura, Masamichi

2006-01-01

The surface structure of Nb(100) under the condition of cleaning, oxidation and hydrogen adsorption is observed by STM (scanning tunneling microscopy). The results obtained are followings; (1) (3 x 1)-O→(4 x 1)-O→c(2 x 2)-O→clean(1 x 1)structure was observed by atom level, and these atomic models of structures and STM images were verified by the first-principles calculations, (2) when the clean(1 x 1) structure exposed to hydrogen, dissociative adsorption of hydrogen was observed and Nb hydride cluster formed on the surface at room temperature. It was heated at about 450 - 670 K in UHV, the cluster decomposed into hydrogen and (1 x 1) structure with linear defect was formed. The c(2 x 2)-O structure by oxygen adsorption transformed into (1 x 1)-H structure with OH and Nb hydride cluster under hydrogen gas at room temperature. When it was heated in UHV at 640 K, OH desorbed from the surface and (1 x 1) structure with linear defect was generated. The surface of (3 x 1)-O structure was not changed by hydrogen. (S.Y.)

Ice XVII as a Novel Material for Hydrogen Storage

Directory of Open Access Journals (Sweden)

Leonardo del Rosso

2017-02-01

Full Text Available Hydrogen storage is one of the most addressed issues in the green-economy field. The latest-discovered form of ice (XVII, obtained by application of an annealing treatment to a H 2 -filled ice sample in the C 0 -phase, could be inserted in the energy-storage context due to its surprising capacity of hydrogen physisorption, when exposed to even modest pressure (few mbars at temperature below 40 K, and desorption, when a thermal treatment is applied. In this work, we investigate quantitatively the adsorption properties of this simple material by means of spectroscopic and volumetric data, deriving its gravimetric and volumetric capacities as a function of the thermodynamic parameters, and calculating the usable capacity in isothermal conditions. The comparison of ice XVII with materials with a similar mechanism of hydrogen adsorption like metal-organic frameworks shows interesting performances of ice XVII in terms of hydrogen content, operating temperature and kinetics of adsorption-desorption. Any application of this material to realistic hydrogen tanks should take into account the thermodynamic limit of metastability of ice XVII, i.e., temperatures below about 130 K.

Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage.

Science.gov (United States)

Tan, Xin; Tahini, Hassan A; Smith, Sean C

2016-12-07

Electrocatalytic, switchable hydrogen storage promises both tunable kinetics and facile reversibility without the need for specific catalysts. The feasibility of this approach relies on having materials that are easy to synthesize, possessing good electrical conductivities. Graphitic carbon nitride (g-C 4 N 3 ) has been predicted to display charge-responsive binding with molecular hydrogen-the only such conductive sorbent material that has been discovered to date. As yet, however, this conductive variant of graphitic carbon nitride is not readily synthesized by scalable methods. Here, we examine the possibility of conductive and easily synthesized boron-doped graphene nanosheets (B-doped graphene) as sorbent materials for practical applications of electrocatalytically switchable hydrogen storage. Using first-principle calculations, we find that the adsorption energy of H 2 molecules on B-doped graphene can be dramatically enhanced by removing electrons from and thereby positively charging the adsorbent. Thus, by controlling charge injected or depleted from the adsorbent, one can effectively tune the storage/release processes which occur spontaneously without any energy barriers. At full hydrogen coverage, the positively charged BC 5 achieves high storage capacities up to 5.3 wt %. Importantly, B-doped graphene, such as BC 49 , BC 7 , and BC 5 , have good electrical conductivity and can be easily synthesized by scalable methods, which positions this class of material as a very good candidate for charge injection/release. These predictions pave the route for practical implementation of electrocatalytic systems with switchable storage/release capacities that offer high capacity for hydrogen storage.

Effect of controlled deactivation on the thermochemical characteristics of hydrogen adsorption on skeletal nickel from sodium hydroxide-water solutions

Science.gov (United States)

Prozorov, D. A.; Lukin, M. V.; Ulitin, M. V.

2013-04-01

Differential heats of adsorption in a wide range of surface coverage and maximum amounts of adsorbed hydrogen are determined by adsorption calorimetry on partially deactivated skeletal nickel from aqueous solutions of sodium hydroxide. The effect of the composition of solutions on the values of limiting adsorption and adsorption equilibria of individual forms of hydrogen is shown.

Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts

Energy Technology Data Exchange (ETDEWEB)

Anderson, J.R.; Foger, K.; Breakspere, R.J.

1979-05-01

Adsorption and temperature-programmed desorption of hydrogen with dispersed platinum and platinum-gold catalysts was studied with 0.9-3Vertical Bar3< platinum on silica gel, aerosil, sodium and lanthanum Y zeolites, and ..gamma..-alumina, and on aerosil-supported gold-platinum alloys containing 2, 10, 24, 33, and 85Vertical Bar3< gold. Surface enrichment with gold in the alloy systems, as derived from hydrogen adsorption data and predicted from surface enrichment theory and electron microscopic measurements of particle size, were in good agreement, which indicated that equilibrium was achieved by the thermal treatment (oxygen at 573/sup 0/K, hydrogen at 620/sup 0/K, repeated cycles) used. Hydrogen spillover to gold was observed at the higher hydrogen pressures tested on the alloys with high gold content, and to the zeolite supports. The temperature-programed desorption profiles were independent of gold content, which indicated that gold acts only as diluent, and that isolated surface platinum atoms become populated with hydrogen atoms either by hydrogen atom spillover from platinum ensembles to gold and from the gold to the isolated platinum, and/or by adsorption of a molecule directly on the isolated platinum and chemisorption of one H atom at an adjacent gold atom. The distribution of surface platinum ensembles was evaluated by a computer simulation method.

Adsorption and catalytic properties of skeleton nickel alloyed by tantalum

Energy Technology Data Exchange (ETDEWEB)

Erzhanova, M S; Sokol' skii, D V; Popov, N I; Kondratenko, V I

1977-02-01

Adsorption properties are studied of Ni-Ta-catalysts composed of 20-50% Ni, 0-30% Ta, 50% Al with respect to hydrogen; their activity in a number of reactions has been tested. The adsorption capacity is characterized with respect to H/sub 2/ by the methods of thermodesorption and conductometry. It is shown that three forms to hydrogen (..beta.., ..gamma.., sigma) adsorb onto the surface of the alloyed catalysts, whose desorption peaks overlap because of their high mobility and interchangeability. Variation of activity, selectivity and isomerizing capacity of the catalysts correlates with the content of a weakly adsorbed mobile form of H/sub 2/.

Influence of metal doping of a MOF-74 framework on hydrogen adsorption

Energy Technology Data Exchange (ETDEWEB)

Botas, J.A.; Calleja, G.; Orcajo, M.G. [Rey Juan Carlos Univ., Madrid (Spain). Dept. of Chemical and Energy Technology; Sanchez-Sanchez, M. [CSIC, Madrid (Spain). Inst. de Catalisis y Petroleoquimica

2010-07-01

Microporous Metal-Organic Framework (MOF) adsorbents are considered an interesting option for hydrogen storage. Due to their porous nature and unusually high surface areas, these materials show an exceptional H{sub 2} uptake. Unfortunately, their interaction with H{sub 2} molecules is weak, so cryogenic temperatures are required to reach competitive H{sub 2} storage capacities. In this sense, the presence of coordinatively unsaturated and exposed metal centers in some MOF frameworks could increase the affinity for H{sub 2} through stronger metal-H{sub 2} interactions. In this preliminary work, the effect of doping a Zn{sup 2+}-MOF-74 framework with Co{sup 2+}, Cu{sup 2+} and Mg{sup 2+} on its adsorption properties for H{sub 2} has been studied. Characterization studies suggest that the samples prepared have actually the MOF-74 structure, in which the different tested heteroatom ions have been successfully incorporated. The differences in H{sub 2} adsorption at 77 K and 87 K between the MOF-74 samples doped with the mentioned divalent metal ions were discussed as a function of their free pore volume and amount of metal incorporation. (orig.)

Hydrogen storage behaviors of platinum-supported multi-walled carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Park, Soo-Jin; Lee, Seul-Yi [Department of Chemistry, Inha University, 253 Nam-gu, Incheon 402-751 (Korea, Republic of)

2010-12-15

In this work, the hydrogen storage behaviors of multi-walled carbon nanotubes (MWNTs) loaded by crystalline platinum (Pt) particles were studied. The microstructure of the Pt/MWNTs was characterized by X-ray diffraction and transmission electron microscopy. The pore structure and total pore volumes of the Pt/MWNTs were analyzed by N{sub 2}/77 K adsorption isotherms. The hydrogen storage capacity of the Pt/MWNTs was evaluated at 298 K and 100 bar. From the experimental results, it was found that Pt particles were homogeneously distributed on the MWNT surfaces. The amount of hydrogen storage capacity increased in proportion to the Pt content, with Pt-5/MWNTs exhibiting the largest hydrogen storage capacity. The superior amount of hydrogen storage was linked to an increase in the number of active sites and the optimum-controlled micropore volume for hydrogen adsorption due to the well-dispersed Pt particles. Therefore, it can be concluded that Pt particles play an important role in hydrogen storage characteristics due to the hydrogen spillover effect. (author)

A model for the physical adsorption of atomic hydrogen

NARCIS (Netherlands)

Bruch, L.W.; Ruijgrok, Th.W.

1979-01-01

The formation of the holding potential of physical adsorption is studied with a model in which a hydrogen atom interacts with a perfectly imaging substrate bounded by a sharp planar surface; the exclusion of the atomic electron from the substrate is an important boundary condition in the model. The

Polyaniline-polypyrrole composites with enhanced hydrogen storage capacities.

Science.gov (United States)

Attia, Nour F; Geckeler, Kurt E

2013-06-13

A facile method for the synthesis of polyaniline-polypyrrole composite materials with network morphology is developed based on polyaniline nanofibers covered by a thin layer of polypyrrole via vapor phase polymerization. The hydrogen storage capacity of the composites is evaluated at room temperature exhibits a twofold increase in hydrogen storage capacity. The HCl-doped polyaniline nanofibers exhibit a storage capacity of 0.46 wt%, whereas the polyaniline-polypyrrole composites could store 0.91 wt% of hydrogen gas. In addition, the effect of the dopant type, counteranion size, and the doping with palladium nanoparticles on the storage properties are also investigated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computational investigation of hydrogen storage on B5V3

Science.gov (United States)

Guo, Chen; Wang, Chong

2018-05-01

Based on density functional theory method with 6-311+G(d,p) basis set, the structures, stability and hydrogen storage capacity of B5V3 have been theoretically investigated. It is found that a maximum of seven hydrogen molecules can be adsorbed on B5V3 with gravimetric uptake capacity of 6.39 wt%. The uptake capacity exceeds the target set by the US Department of Energy for vehicular application. Moreover, the average adsorption energy of B5V3 01 (7H2) is 0.60 eV/H2 in the desirable range of reversible hydrogen storage. The kinetic stability of H2 adsorbed on B5V3 01 is confirmed by using gap between highest occupied molecular orbital (HOMO)and the lowest unoccupied molecular orbital (LUMO). The gap value of B5V3 01 (7H2) is 2.81 eV, which indicates the compound with high stability. In addition, the thermochemistry calculation (Gibbs free energy corrected adsorption energy) is used to analyse if the adsorption is favourable or not at different temperatures. It can be found that the Gibbs corrected adsorption energy of B5V3 01 (7H2) is still positive at 400 K at 1 atm. It means that the adsorption of seven hydrogen molecules on B5V3 01 is energetically favourable in a fairly wide temperature range. All the results show that B5V3 01 can be considered as a promising material for hydrogen storage.

A theoretical study of hydrogen atoms adsorption and diffusion on PuO_2 (110) surface

International Nuclear Information System (INIS)

Yu, H.L.; Tang, T.; Zheng, S.T.; Shi, Y.; Qiu, R.Z.; Luo, W.H.; Meng, D.Q.

2016-01-01

The mechanisms of adsorption and diffusion of hydrogen atoms on the PuO_2 (110) surface are investigated by density functional theory corrected for onsite Coulombic interactions (GGA + U). In order to find out the energetically more favorable adsorption site and optimum diffusion path, adsorption energy of atomic H on various sites and the diffusion energy barrier are derived and compared. Our results show that both chemisorption and physisorption exist for H atoms adsorption configurations on PuO_2 (110) surface. Two processes for H diffusion are investigated using the climbing nudged-elastic-band (cNEB) approach. We have identified two diffusion mechanisms, leading to migration of atomic H on the surface and diffusion from surface to subsurface. The energy barriers indicate that it is energetically more favorable for H atom to be on the surface. Hydrogen permeation through purity PuO_2 surface is mainly inhibited from hydrogen atom diffusion from surface to subsurface. - Highlights: • H atoms adsorption on PuO_2 (110) surface are investigated by GGA + U. • Both chemisorption and physisorption exist for H atoms adsorption configurations. • H atoms migration into PuO_2 (100) surface are inhibited with the barrier of 2.15 eV. • H atoms diffusion on PuO_2 (110) surface are difficult at room temperature.

On the Hydrogen Cyanide Removal from Air using Metal loaded Polyacrylonitrile Composite Nanofibers

Directory of Open Access Journals (Sweden)

Bozorgmehr Maddah

2017-12-01

Full Text Available The present study highlights the potential application of electrospun polyacrylonitrile/metal salts (CrO3, CuCO3 nanofibrous filter media impregnated with TEDA (PAN-M-TEDA as an efficient adsorbent for hydrogen cyanide removal from air. The PAN-M-TEDA nanofiber before and after adsorption of hydrogen cyanide was characterized with Fourier transform infrared microscopy (FTIR. The concentration of hydrogen cyanide passes through the samples was determined by measuring the absorption of hydrogen cyanide in the solution containing indicator via UV-Vis spectroscopy. The results showed that introducing metal salts to PAN nanofiber along with their impregnation with TEDA, significantly increases the adsorption capacity of nanofibrous filter media. The adsorption of hydrogen cyanide over PAN-M-TEDA nanofiber was also studied as a function of thickness, PAN concentration and TEDA concentration by response surface methodology (RSM based on central composite design. It is found that the highest adsorption capacity can be achieved at thickness 28.42 mm, PAN concentration 16.19 w/v % and TEDA concentration 14.80 w/v %.

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.

Hydrogen spillover phenomenon: Enhanced reversible hydrogen adsorption/desorption at Ta{sub 2}O{sub 5}-coated Pt electrode in acidic media

Energy Technology Data Exchange (ETDEWEB)

Sata, Shunsuke [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Awad, Mohamed I.; El-Deab, Mohamed S. [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Department of Chemistry, Faculty of Science, Cairo University, Cairo (Egypt); Okajima, Takeyoshi [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Ohsaka, Takeo, E-mail: ohsaka@echem.titech.ac.j [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259-G1-5 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan)

2010-04-01

The current study is concerned with the preparation and characterization of tantalum oxide-loaded Pt (TaO{sub x}/Pt) electrodes for hydrogen spillover application. XPS, SEM, EDX and XRD techniques are used to characterize the TaO{sub x}/Pt surfaces. TaO{sub x}/Pt electrodes were prepared by galvanostatic electrodeposition of Ta on Pt from LiF-NaF (60:40 mol%) molten salts containing K{sub 2}TaF{sub 7} (20 wt%) at 800 deg. C and then by annealing in air at various temperatures (200, 400 and 600 deg. C). The thus-fabricated TaO{sub x}/Pt electrodes were compared with the non-annealed Ta/Pt and the unmodified Pt electrodes for the hydrogen adsorption/desorption (H{sub ads}/H{sub des}) reaction. The oxidation of Ta to the stoichiometric oxide (Ta{sub 2}O{sub 5}) increases with increasing the annealing temperature as revealed from XPS and X-ray diffraction (XRD) measurements. The higher the annealing temperature the larger is the enhancement in the H{sub ads}/H{sub des} reaction at TaO{sub x}/Pt electrode. The extraordinary increase in the hydrogen adsorption/desorption at the electrode annealed at 600 deg. C is explained on the basis of a hydrogen spillover-reverse spillover mechanism. The hydrogen adsorption at the TaO{sub x}/Pt electrode is a diffusion-controlled process.

Hydrogen sulfide adsorption on activated carbon fiber. Tests on Parisian subway; Elimination du sulfure d'hydrogene par adsorption sur tissu de charbon actif. Essais sur site RATP

Energy Technology Data Exchange (ETDEWEB)

Bouzaza, A.; Marsteau, St.; Laplanche, A. [Ecole Nationale Superieure de Chimie, Lab. Chimie des Nuissances et Genie de l' Environnement - CNGE, 35 - Rennes (France); Garrot, B. [RATP, Dept. Environnement et Securite-Domaines d' Expertises de l' Environnement-Entite Qualite de l' Air, 75 - Paris (France)

2003-06-01

Hydrogen sulfide has an unpleasant odor and may cause damage to the electrical materials of the Parisian subway. The activated carbon has some intrinsic catalytic activity, so the removal of hydrogen sulfide is due to an adsorption-oxidation process. In a laboratory scale, some kinetic parameters were acquired, which allowed us to build up two dynamic reactors. These continuous reactors, equipped with activated carbon fibers, were tested on the Madeleine station of the Parisian subway. The feasibility of the elimination of H{sub 2}S by continuous adsorption-oxidation was confirmed. The relative humidity of the gas phase was found to play an important role in the performance of the elimination. The durability of the pilot tested was compatible with an industrial exploitation of the process. (authors)

Hydrogen adsorption-mediated synthesis of concave Pt nanocubes and their enhanced electrocatalytic activity

Science.gov (United States)

Lu, Bang-An; Du, Jia-Huan; Sheng, Tian; Tian, Na; Xiao, Jing; Liu, Li; Xu, Bin-Bin; Zhou, Zhi-You; Sun, Shi-Gang

2016-06-01

Concave nanocubes are enclosed by high-index facets and have negative curvature; they are expected to have enhanced reactivity, as compared to nanocubes with flat surfaces. Herein, we propose and demonstrate a new strategy for the synthesis of concave Pt nanocubes with {hk0} high-index facets, by using a hydrogen adsorption-mediated electrochemical square-wave potential method. It was found that Pt atoms prefer to deposit on edge sites rather than terrace sites on Pt surfaces with intensive hydrogen adsorption, resulting in the formation of concave structures. The as-prepared concave Pt nanocubes exhibit enhanced catalytic activity and stability towards oxidation of ethanol and formic acid in acidic solutions, compared to commercial Pt/C catalysts.Concave nanocubes are enclosed by high-index facets and have negative curvature; they are expected to have enhanced reactivity, as compared to nanocubes with flat surfaces. Herein, we propose and demonstrate a new strategy for the synthesis of concave Pt nanocubes with {hk0} high-index facets, by using a hydrogen adsorption-mediated electrochemical square-wave potential method. It was found that Pt atoms prefer to deposit on edge sites rather than terrace sites on Pt surfaces with intensive hydrogen adsorption, resulting in the formation of concave structures. The as-prepared concave Pt nanocubes exhibit enhanced catalytic activity and stability towards oxidation of ethanol and formic acid in acidic solutions, compared to commercial Pt/C catalysts. Electronic supplementary information (ESI) available: Details of DFT calculation, SEM images of concave Pt nanocubes, mass activity and stability characterization of the catalysts. See DOI: 10.1039/c6nr02349e

Final Report: Metal Perhydrides for Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

2011-07-26

Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One Li

Metalized T graphene: A reversible hydrogen storage material at room temperature

International Nuclear Information System (INIS)

Ye, Xiao-Juan; Zhong, Wei; Du, You-Wei; Liu, Chun-Sheng; Zeng, Zhi

2014-01-01

Lithium (Li)-decorated graphene is a promising hydrogen storage medium due to its high capacity. However, homogeneous mono-layer coating graphene with lithium atoms is metastable and the lithium atoms would cluster on the surface, resulting in the poor reversibility. Using van der Waals-corrected density functional theory, we demonstrated that lithium atoms can be homogeneously dispersed on T graphene due to a nonuniform charge distribution in T graphene and strong hybridizations between the C-2p and Li-2p orbitals. Thus, Li atoms are not likely to form clusters, indicating a good reversible hydrogen storage. Both the polarization mechanism and the orbital hybridizations contribute to the adsorption of hydrogen molecules (storage capacity of 7.7 wt. %) with an optimal adsorption energy of 0.19 eV/H 2 . The adsorption/desorption of H 2 at ambient temperature and pressure is also discussed. Our results can serve as a guide in the design of new hydrogen storage materials based on non-hexagonal graphenes.

Humic acid provenance influence to the adsorption capacity in uranium and thorium removal

Science.gov (United States)

Prasetyo, E.

2018-01-01

It is common knowledge that humic acid is organic compound without certain chemical composition since it is derived from different organic materials. Further this raises question whether the different humic acid sample used could lead to different adsorbent properties e.g. adsorption capacity. To address the problem, this paper is aimed to clarify the relation between the provenances of humic acid and synthesized adsorbent properties especially adsorption capacities by quantitative and qualitative functional groups determination including discussion on their effect to the metal ion adsorption mechanism using three humic acid samples. Two commercial samples were derived from recent compost while the other extracted from tertiary carbonaceous mudstone strata.

The effect of atomic hydrogen adsorption on single-walled carbon nano tubes properties

International Nuclear Information System (INIS)

Jalili, S.; Majidi, R.

2007-01-01

We investigated the adsorption of hydrogen atoms on metallic single-walled carbon nano tubes using ab initio molecular dynamics method. It was found that the geometric structures and the electronic properties of hydrogenated SWNTs can be strongly changed by varying hydrogen coverage. The circular cross sections of the CNTs were changed with different hydrogen coverage. When hydrogen is chemisorbed on the surface of the carbon nano tube, the energy gap will be appeared. This is due to the degree of the Sp 3 hybridization, and the hydrogen coverage can control the band gap of the carbon nano tube

Adsorption of antibiotics on microplastics.

Science.gov (United States)

Li, Jia; Zhang, Kaina; Zhang, Hua

2018-06-01

Microplastics and antibiotics are two classes of emerging contaminants with proposed negative impacts to aqueous ecosystems. Adsorption of antibiotics on microplastics may result in their long-range transport and may cause compound combination effects. In this study, we investigated the adsorption of 5 antibiotics [sulfadiazine (SDZ), amoxicillin (AMX), tetracycline (TC), ciprofloxacin (CIP), and trimethoprim (TMP)] on 5 types of microplastics [polyethylene (PE), polystyrene (PS), polypropylene (PP), polyamide (PA), and polyvinyl chloride (PVC)] in the freshwater and seawater systems. Scanning Electron Microscope (SEM) and X-ray diffractometer (XRD) analysis revealed that microplastics have different surface characterizes and various degrees of crystalline. Adsorption isotherms demonstrated that PA had the strongest adsorption capacity for antibiotics with distribution coefficient (K d ) values ranged from 7.36 ± 0.257 to 756 ± 48.0 L kg -1 in the freshwater system, which can be attributed to its porous structure and hydrogen bonding. Relatively low adsorption capacity was observed on other four microplastics. The adsorption amounts of 5 antibiotics on PS, PE, PP, and PVC decreased in the order of CIP > AMX > TMP > SDZ > TC with K f correlated positively with octanol-water partition coefficients (Log K ow ). Comparing to freshwater system, adsorption capacity in seawater decreased significantly and no adsorption was observed for CIP and AMX. Our results indicated that commonly observed polyamide particles can serve as a carrier of antibiotics in the aquatic environment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structural properties and adsorption capacity of holocellulose aerogels synthesized from an alkali hydroxide-urea solution

Energy Technology Data Exchange (ETDEWEB)

Kwon, Gu-Joong; Kim, Dae-Young; Hwang, Jae-Hyun; Kang, Joo-Hyon [Dongguk University, Seoul (Korea, Republic of)

2014-05-15

A tulip tree was used to synthesize a holocellulose aerogel from an aqueous alkali hydroxide-urea solution with the substitution of an organic solvent followed by freeze-drying. For comparison, the synthesized holocellulose aerogels were divided into two groups according to the source of the hydrogel, an upper suspended layer and a bottom concentrated layer of the centrifuged solution of cellulose and NaOH/urea solvents. We investigated the effects of the temperature of the pre-cooled NaOH/urea solution (i.e., dissolution temperature) on the pore structure and the adsorption capacity of the holocellulose aerogel. A nano-fibrillar network structure of the holocellulose aerogel was observed, with little morphological difference in pore structure for different dissolution temperatures. Both micropores and mesopores were observed in the holocellulose aerogel. The specific surface area of the holocellulose aerogel was generally greater at lower dissolution temperatures. In a series of adsorption tests using methylene blue, the holocellulose aerogel showed the greatest adsorption capacity at the lowest dissolution temperature tested ( -2 .deg. C). However, the dissolution temperature generally had little effect on the adsorption capacity. The holocellulose aerogel produced from the upper suspended layer of the centrifuged hydrogel solution showed a greater porosity and adsorption capacity than the one produced from the bottom concentrated layer. Overall, the aerogel made by utilizing a delignified tulip tree display a high surface area and a high adsorption property, indicating its possible application in eco-friendly adsorption materials.

Structural properties and adsorption capacity of holocellulose aerogels synthesized from an alkali hydroxide-urea solution

International Nuclear Information System (INIS)

Kwon, Gu-Joong; Kim, Dae-Young; Hwang, Jae-Hyun; Kang, Joo-Hyon

2014-01-01

A tulip tree was used to synthesize a holocellulose aerogel from an aqueous alkali hydroxide-urea solution with the substitution of an organic solvent followed by freeze-drying. For comparison, the synthesized holocellulose aerogels were divided into two groups according to the source of the hydrogel, an upper suspended layer and a bottom concentrated layer of the centrifuged solution of cellulose and NaOH/urea solvents. We investigated the effects of the temperature of the pre-cooled NaOH/urea solution (i.e., dissolution temperature) on the pore structure and the adsorption capacity of the holocellulose aerogel. A nano-fibrillar network structure of the holocellulose aerogel was observed, with little morphological difference in pore structure for different dissolution temperatures. Both micropores and mesopores were observed in the holocellulose aerogel. The specific surface area of the holocellulose aerogel was generally greater at lower dissolution temperatures. In a series of adsorption tests using methylene blue, the holocellulose aerogel showed the greatest adsorption capacity at the lowest dissolution temperature tested ( -2 .deg. C). However, the dissolution temperature generally had little effect on the adsorption capacity. The holocellulose aerogel produced from the upper suspended layer of the centrifuged hydrogel solution showed a greater porosity and adsorption capacity than the one produced from the bottom concentrated layer. Overall, the aerogel made by utilizing a delignified tulip tree display a high surface area and a high adsorption property, indicating its possible application in eco-friendly adsorption materials.

Ti-decorated graphitic-C{sub 3}N{sub 4} monolayer: A promising material for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Zhang, Weibin [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of); Zhang, Zhijun [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of); School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Zhang, Fuchun [College of Physics and Electronic Information, Yan’an University, Yan’an 716000 (China); Yang, Woochul, E-mail: wyang@dongguk.edu [Department of Physics, Dongguk University, Seoul 04620 (Korea, Republic of)

2016-11-15

Highlights: • Ti atoms are stably decorated at the triangular N hole in g-C{sub 3}N{sub 4} with an adsorption energy of −7.58 eV. • Electron redistribution of Ti-adsorbed porous g-C{sub 3}N{sub 4} significantly enhanced hydrogen adsorption up to five H{sub 2} molecules at each Ti atom. • The hydrogen capacity of the Ti-decorated g-C{sub 3}N{sub 4} system reaches up to 9.70 wt%. • All H{sub 2} absorbed in the Ti/g-C{sub 3}N{sub 4} system can be released at 393 K according to the molecular dynamic analysis. • Ti/g-C{sub 3}N{sub 4} as a hydrogen storage system is suitable and reversible at the temperature range required for practical applications. - Abstract: Ti-decorated graphitic carbon nitride (g-C{sub 3}N{sub 4}) monolayer as a promising material system for high-capacity hydrogen storage is proposed through density functional theory calculations. The stability and hydrogen adsorption of Ti-decorated g-C{sub 3}N{sub 4} is analyzed by computing the adsorption energy, the charge population, and electronic density of states. The most stable decoration site of Ti atom is the triangular N hole in g-C{sub 3}N{sub 4} with an adsorption energy of −7.58 eV. The large diffusion energy barrier of the adsorbed Ti atom of ∼6.00 eV prohibits the cluster formation of Ti atoms. The electric field induced by electron redistribution of Ti-adsorbed porous g-C{sub 3}N{sub 4} significantly enhanced hydrogen adsorption up to five H{sub 2} molecules at each Ti atom with an average adsorption energy of −0.30 eV/H{sub 2}. The corresponding hydrogen capacity reaches up to 9.70 wt% at 0 K. In addition, the hydrogen capacity is predicted to be 6.30 wt% at 233 K and all adsorbed H{sub 2} are released at 393 K according to molecular dynamics simulation. Thus, the Ti-decorated g-C{sub 3}N{sub 4} monolayer is suggested to be a promising material for hydrogen storage suggested by the DOE for commercial applications.

Hydrogen storage in engineered carbon nanospaces.

Science.gov (United States)

Burress, Jacob; Kraus, Michael; Beckner, Matt; Cepel, Raina; Suppes, Galen; Wexler, Carlos; Pfeifer, Peter

2009-05-20

It is shown how appropriately engineered nanoporous carbons provide materials for reversible hydrogen storage, based on physisorption, with exceptional storage capacities (approximately 80 g H2/kg carbon, approximately 50 g H2/liter carbon, at 50 bar and 77 K). Nanopores generate high storage capacities (a) by having high surface area to volume ratios, and (b) by hosting deep potential wells through overlapping substrate potentials from opposite pore walls, giving rise to a binding energy nearly twice the binding energy in wide pores. Experimental case studies are presented with surface areas as high as 3100 m(2) g(-1), in which 40% of all surface sites reside in pores of width approximately 0.7 nm and binding energy approximately 9 kJ mol(-1), and 60% of sites in pores of width>1.0 nm and binding energy approximately 5 kJ mol(-1). The findings, including the prevalence of just two distinct binding energies, are in excellent agreement with results from molecular dynamics simulations. It is also shown, from statistical mechanical models, that one can experimentally distinguish between the situation in which molecules do (mobile adsorption) and do not (localized adsorption) move parallel to the surface, how such lateral dynamics affects the hydrogen storage capacity, and how the two situations are controlled by the vibrational frequencies of adsorbed hydrogen molecules parallel and perpendicular to the surface: in the samples presented, adsorption is mobile at 293 K, and localized at 77 K. These findings make a strong case for it being possible to significantly increase hydrogen storage capacities in nanoporous carbons by suitable engineering of the nanopore space.

Effect on hydrogen adsorption due to a lonely or a pair of carbon vacancies on the graphene layer

International Nuclear Information System (INIS)

Arellano, J S

2017-01-01

The influence on the hydrogen molecule adsorption on a pristine and a defective graphene layer is compared. The different lengths for the C-C bonds on the graphene layer with one vacancy are visualized and compared respect to pristine graphene. The energy of formation of one vacancy is calculated and a comparison of the binding energy for the hydrogen molecule is presented when the molecule is adsorbed on pristine graphene or on the defective graphene layer. The adsorption is studied for a single vacancy and at least for two different pairs of carbon vacancies. The qualitative general result, and contrary to the expected effect of the carbon vacancies on the hydrogen adsorption is that the rearrangement of the carbon atoms on the defective graphene layer allows only a relatively small increase in the magnitude of the binding energy for the hydrogen molecule. (paper)

FINAL REPORT: Room Temperature Hydrogen Storage in Nano-Confined Liquids

Energy Technology Data Exchange (ETDEWEB)

VAJO, JOHN

2014-06-12

experiments. Overall, the combined experimental measurements and simulations indicate that hydrogen storage based on enhanced solubility in nano-confined liquids is unlikely to meet the storage densities required for practical use. Only low gravimetric capacities of < 0.5 wt% were achieved. More importantly, solvent filled scaffolds had lower volumetric capacities than corresponding empty scaffolds. Nevertheless, several of the composites measured did show significant (>~ 5x) enhanced hydrogen solubility relative to bulk solvent solubility, when the hydrogen capacity was attributed only to dissolution in the confined solvent. However, when the hydrogen capacity was compared to an empty scaffold that is known to store hydrogen by surface adsorption on the scaffold walls, including the solvent always reduced the hydrogen capacity. For the best composites, this reduction relative to an empty scaffold was ~30%; for the worst it was ~90%. The highest capacities were obtained with the largest solvent molecules and with scaffolds containing 3- dimensionally confined pore geometries. The simulations suggested that the capacity of the composites originated from hydrogen adsorption on the scaffold pore walls at sites not occupied by solvent molecules. Although liquid solvent filled the pores, not all of the adsorption sites on the pore walls were occupied due to restricted motion of the solvent molecules within the confined pore space.

Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

Science.gov (United States)

Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

2011-08-01

Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation.

Science.gov (United States)

Vojkovic, Marin; Rayane, Driss; Antoine, Rodolphe; Broyer, Michel; Allouche, Abdul-Rahman; Mignon, Pierre; Dugourd, Philippe

2017-06-15

It is demonstrated, using tandem mass spectrometry and radio frequency ion trap, that the adsorption of a H atom on the gold dimer cation, Au 2 H + , prevents its dissociation and allows for adsorption of CO. Reaction kinetics are measured by employing a radio frequency ion trap, where Au 2 + and CO interact for a given reaction time. The effect of a hydrogen atom is evaluated by comparing reaction rate constants measured for Au 2 + and Au 2 H + . The theoretical results for the adsorption of CO molecules and their reaction characteristics with Au 2 + and Au 2 H + are found to agree with the experimental findings. The joint investigations provide insights into hydrogen atom adsorption effects and consequent reaction mechanisms.

Adsorption of selected pharmaceuticals and an endocrine disrupting compound by granular activated carbon. 1. Adsorption capacity and kinetics

Energy Technology Data Exchange (ETDEWEB)

Yu, Z.; Peldszus, S.; Huck, P.M. [University of Waterloo, Waterloo, ON (Canada). NSERC Chair in Water Treatment

2009-03-01

The adsorption of two representative PhACs (naproxen and carbamazepine) and one EDC (nonylphenol) were evaluated on two granular activated carbons (GAC) namely coal-based Calgon Filtrasorb 400 and coconut shell-based PICA CTIF TE. The primary objective was to investigate preloading effects by natural organic matter (NOM) on adsorption capacity and kinetics under conditions and concentrations (i.e., ng/L) relevant for drinking water treatment. Isotherms demonstrated that all compounds were significantly negatively impacted by NOM fouling. Adsorption capacity reduction was most severe for the acidic naproxen, followed by the neutral carbamazepine and then the more hydrophobic nonylphenol. The GAC with the wider pore size distribution had considerably greater NOM loading, resulting in lower adsorption capacity. Different patterns for the change in Freundlich KF and 1/n with time revealed different competitive mechanisms for the different compounds. Mass transport coefficients determined by short fixed-bed (SFB) tests with virgin and preloaded GAC demonstrated that film diffusion primarily controls mass transfer on virgin and preloaded carbon. Naproxen suffered the greatest deteriorative effect on kinetic parameters due to preloading, followed by carbamazepine, and then nonylphenol. A type of surface NOM/biofilm, which appeared to add an additional mass transfer resistance layer and thus reduce film diffusion, was observed. In addition, electrostatic interactions between NOM/biofilm and the investigated compounds are proposed to contribute to the reduction of film diffusion. A companion paper building on this work describes treatability studies in pilot-scale GAC adsorbers and the effectiveness of a selected fixed-bed model. 32 refs., 3 figs., 2 tabs.

New template for metal decoration and hydrogen adsorption on graphene-like C3N4

International Nuclear Information System (INIS)

Zhang Yi; Sun Hong; Chen Changfeng

2009-01-01

From density functional theory calculations we identify a graphene-like C 3 N 4 (g-C 3 N 4 ) as an excellent template for stable and well dispersed decoration of alkali (Li) and 3d transition metal (TM) atoms. The porous sites of g-C 3 N 4 accommodate excessive N lone-pair electrons and promote hybridization between the orbitals of N and the metal atoms. The most stable TM decorations (Ti and Sc) on g-C 3 N 4 exhibit high capacities of hydrogen adsorption with binding energies suitable for mobile applications. These metal decorated g-C 3 N 4 may also prove useful in catalytic and sensing applications for their unique nanoscale structural features unavailable in conventional nano-clusters.

Facile synthesis of hydroxy-modified MOF-5 for improving the adsorption capacity of hydrogen by lithium doping.

Science.gov (United States)

Kubo, Masaru; Hagi, Hayato; Shimojima, Atsushi; Okubo, Tatsuya

2013-11-01

A facile synthesis of partially hydroxy-modified MOF-5 and its improved H2-adsorption capacity by lithium doping are reported. The reaction of Zn(NO3)2·6H2O with a mixture of terephthalic acid (H2BDC) and 2-hydroxyterephthalic acid (H2BDC-OH) in DMF gave hydroxy-modified MOF-5 (MOF-5-OH-x), in which the molar fraction (x) of BDC-OH(2-) was up to 0.54 of the whole ligand. The MOF-5-OH-x frameworks had high BET surface areas (about 3300 m(2) g(-1)), which were comparable to that of MOF-5. We suggest that the MOF-5-OH-x frameworks are formed by the secondary growth of BDC(2-)-rich MOF-5 seed crystals, which are nucleated during the early stage of the reaction. Subsequent Li doping into MOF-5-OH-x results in increased H2 uptake at 77 K and 0.1 MPa from 1.23 to 1.39 wt.% and an increased isosteric heat of H2 adsorption from 5.1-4.2 kJ mol(-1) to 5.5-4.4 kJ mol(-1). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low temperature heat capacity of lutetium and lutetium hydrogen alloys

International Nuclear Information System (INIS)

Thome, D.K.

1977-10-01

The heat capacity of high purity electrotransport refined lutetium was measured between 1 and 20 0 K. Results for theta/sub D/ were in excellent agreement with theta values determined from elastic constant measurements. The heat capacity of a series of lutetium-hydrogen solid solution alloys was determined and results showed an increase in γ from 8.2 to about 11.3 mJ/g-atom-K 2 for hydrogen content increasing from zero to about one atomic percent. Above one percent hydrogen γ decreased with increasing hydrogen contents. The C/T data showed an increase with temperature decreasing below about 2.5 0 K for samples with 0.1 to 1.5 atomic percent hydrogen. This accounts for a large amount of scatter in theta/sub D/ versus hydrogen content in this range. The heat capacity of a bulk sample of lutetium dihydride was measured between 1 and 20 0 K and showed a large increase in theta/sub D/ and a large decrease in γ compared to pure lutetium

Amine-functionalized PVA-co-PE nanofibrous membrane as affinity membrane with high adsorption capacity for bilirubin.

Science.gov (United States)

Wang, Wenwen; Zhang, Hao; Zhang, Zhifeng; Luo, Mengying; Wang, Yuedan; Liu, Qiongzhen; Chen, Yuanli; Li, Mufang; Wang, Dong

2017-02-01

In this study, poly(vinyl alcohol-co-ethylene) (PVA-co-PE) nanofibrous membrane was activated by sodium hydroxide and cyanuric chloride, and then the activated membranes were functionalized by 1,3-propanediamine, hexamethylenediamine and diethylenetriamine to be affinity membranes for bilirubin removal, respectively. The chemical structures and morphologies of membranes were investigated by SEM, FTIR and XPS. And the adsorption ability of different amine-functionalized nanofibrous membranes for bilirubin was characterized. Furthermore, the effects of temperature, initial concentration of bilirubin, NaCl concentration and BSA concentration on the adsorption capacity for bilirubin of diethylenetriamine-functionalized nanofibrous membrane were studied. Results indicated that the adsorption capacity for bilirubin of diethylenetriamine-functionalized nanofibrous membrane could reach 85mg/g membrane when the initial bilirubin concentration was 200mg/L while the adsorption capacity could be increased to 110mg/g membrane if the initial bilirubin concentration was more than 400mg/L. The dynamic adsorption of diethylenetriamine-functionalized nanofibrous membrane showed that the ligands of amine groups on the membrane surface could be used as far as possible by recirculating the plasma with certain flow rates. Therefore, the diethylenetriamine-functionalized PVA-co-PE nanofibrous membrane possessed high adsorption capacity for bilirubin and it can be candidate as affinity membrane for bilirubin removal. Copyright © 2016. Published by Elsevier B.V.

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

International Nuclear Information System (INIS)

Venkataramanan, Natarajan Sathiyamoorthy; Belosludov, Rodion Vladimirovich; Note, Ryunosuke; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2010-01-01

Graphical abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. Adsorption of alkali atoms involves a charge transfer process, creating positively-charged alkali atoms and this polarizes the H 2 molecules and increases their binding energy. The maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 H 2 were adsorbed in molecular form. - Abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. The alkali atom adsorption takes place near the six tetragonal bridge sites available on the cage, thereby avoiding the notorious clustering problem. Adsorption of alkali atoms involves a charge transfer process, creating positively charged alkali atoms and this polarizes the H 2 molecules thereby, increasing their binding energy. Li atom has been found to adsorb up to three hydrogen molecules with an average binding energy of 0.189 eV. The fully doped Li 6 B 36 N 36 cluster has been found to hold up to 18 hydrogen molecules with the average binding energy of 0.146 eV. This corresponds to a gravimetric density of hydrogen storage of 3.7 wt.%. Chemisorption on the Li 6 B 36 N 36 has been found to be an exothermic reaction, in which 60 hydrogen atoms chemisorbed with an average chemisorption energy of -2.13 eV. Thus, the maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 hydrogen molecules were adsorbed in molecular form.

Theoretical study of molecular hydrogen and spiltover hydrogen storage on two-dimensional covalent-organic frameworks

International Nuclear Information System (INIS)

Liu Xiu-Ying; He Jie; Yu Jing-Xin; Fan Zhi-Qin; Li Zheng-Xin

2014-01-01

Molecular hydrogen and spiltover hydrogen storages on five two-dimensional (2D) covalent-organic frameworks (COFs) (PPy-COF, TP-COF, BTP-COF, COF-18 Å, and HHTP-DPB COF) are investigated using the grand canonical Monte Carlo (GCMC) simulations and the density functional theory (DFT), respectively. The GCMC simulated results show that HHTP-DPB COF has the best performance for hydrogen storage, followed by BTP-COF, TP-COF, COF-18 Å, and PPy-COF. However, their adsorption amounts at room temperature are all too low to meet the uptake target set by US Department of Energy (US-DOE) and enable practical applications. The effects of pore size, surface area, and isosteric heat of hydrogen on adsorption amount are considered, which indicate that these three factors are all the important factors for determining the H 2 adsorption amount. The chemisorptions of spiltover hydrogen atoms on these five COFs represented by the cluster models are investigated using the DFT method. The saturation cluster models are constructed by considering all possible adsorption sites for these cluster models. The average binding energy of a hydrogen atom and the saturation hydrogen storage density are calculated. The large average binding energy indicates that the spillover process may proceed smoothly and reversibly. The saturation hydrogen storage density is much larger than the physisorption uptake of H 2 molecules at 298 K and 100 bar (1 bar = 10 5 Pa), and is close to or exceeds the 2010 US-DOE target of 6 wt% for hydrogen storage. This suggests that the hydrogen storage capacities of these COFs by spillover may be significantly enhanced. Thus 2D COFs studied in this paper are suitable hydrogen storage media by spillover

Adsorption of cadmium ions on nickel surface skeleton catalysts and its effect on reaction of cathodic hydrogen evolution

International Nuclear Information System (INIS)

Korovin, N.V.; Udris, E.Ya.; Savel'eva, O.N.

1986-01-01

Cadmium adsorption from different concentration CdSO 4 solutions on nickel surface skeleton catalysts (Ni ssc ) is studied by recording of polarization and potentiodynamic curves using electron microscopy and X-ray spectrometry. Main regularities of cadmium adsorption on Ni ssc are shown to be similar to those on smooth and skeleton nickel. A conclusion is drawn that increase of catalytic activity in reaction of cathodic hydrogen evolution from alkali solutions of Ni ssc base electrodes after their treatment in solutions containing Cd 2+ ions is due to irreversible desorption of strongly and averagely bound hydrogen from electrode surface at cadmium adsorption on them

Interaction of hydrogen with palladium clusters deposited on graphene

Energy Technology Data Exchange (ETDEWEB)

Alonso, Julio A.; Granja, Alejandra; Cabria, Iván; López, María J. [Departamento de Física Teórica, Atómica y Optica, Universidad de Valladolid, 47011 Valladolid (Spain)

2015-12-31

Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H{sub 2} on Pd{sub 6} anchored on a graphene vacancy has been studied in detail.

Interaction of hydrogen with palladium clusters deposited on graphene

Science.gov (United States)

Alonso, Julio A.; Granja, Alejandra; Cabria, Iván; López, María J.

2015-12-01

Hydrogen adsorption on nanoporous carbon materials is a promising technology for hydrogen storage. However, pure carbon materials do not meet the technological requirements due to the week binding of hydrogen to the pore walls. Experimental work has shown that doping with Pd atoms and clusters enhances the storage capacity of porous carbons. Therefore, we have investigated the role played by the Pd dopant on the enhancement mechanisms. By performing density functional calculations, we have found that hydrogen adsorbs on Pd clusters deposited on graphene following two channels, molecular adsorption and dissociative chemisorption. However, desorption of Pd-H complexes competes with desorption of hydrogen, and consequently desorption of Pd-H complexes would spoil the beneficial effect of the dopant. As a way to overcome this difficulty, Pd atoms and clusters can be anchored to defects of the graphene layer, like graphene vacancies. The competition between molecular adsorption and dissociative chemisorption of H2 on Pd6 anchored on a graphene vacancy has been studied in detail.

Suitability of adsorption isotherms for predicting the retention capacity of active slag filters removing phosphorus from wastewater.

Science.gov (United States)

Pratt, C; Shilton, A

2009-01-01

Active slag filters are an emerging technology for removing phosphorus (P) from wastewater. A number of researchers have suggested that adsorption isotherms are a useful tool for predicting P retention capacity. However, to date the appropriateness of using isotherms for slag filter design remains unverified due to the absence of benchmark data from a full-scale, field filter operated to exhaustion. This investigation compared the isotherm-predicted P retention capacity of a melter slag with the P adsorption capacity determined from a full-scale, melter slag filter which had reached exhaustion after five years of successfully removing P from waste stabilization pond effluent. Results from the standard laboratory batch test showed that P adsorption correlated more strongly with the Freundlich Isotherm (R(2)=0.97, Pretention capacity of 0.014 gP/kg slag; markedly lower than the 1.23 gP/kg slag adsorbed by the field filter. Clearly, the result generated by the isotherm bears no resemblance to actual field capacity. Scanning electron microscopy analysis revealed porous, reactive secondary minerals on the slag granule surfaces from the field filter which were likely created by weathering. This slow weathering effect, which generates substantial new adsorption sites, is not accounted for by adsorption isotherms rendering them ineffective in slag filter design.

Direct observation and modelling of ordered hydrogen adsorption and catalyzed ortho-para conversion on ETS-10 titanosilicate material.

Science.gov (United States)

Ricchiardi, Gabriele; Vitillo, Jenny G; Cocina, Donato; Gribov, Evgueni N; Zecchina, Adriano

2007-06-07

Hydrogen physisorption on porous high surface materials is investigated for the purpose of hydrogen storage and hydrogen separation, because of its simplicity and intrinsic reversibility. For these purposes, the understanding of the binding of dihydrogen to materials, of the structure of the adsorbed phase and of the ortho-para conversion during thermal and pressure cycles are crucial for the development of new hydrogen adsorbents. We report the direct observation by IR spectroscopic methods of structured hydrogen adsorption on a porous titanosilicate (ETS-10), with resolution of the kinetics of the ortho-para transition, and an interpretation of the structure of the adsorbed phase based on classical atomistic simulations. Distinct infrared signals of o- and p-H2 in different adsorbed states are measured, and the conversion of o- to p-H2 is monitored over a timescale of hours, indicating the presence of a catalyzed reaction. Hydrogen adsorption occurs in three different regimes characterized by well separated IR manifestations: at low pressures ordered 1:1 adducts with Na and K ions exposed in the channels of the material are formed, which gradually convert into ordered 2:1 adducts. Further addition of H2 occurs only through the formation of a disordered condensed phase. The binding enthalpy of the Na+-H2 1:1 adduct is of -8.7+/-0.1 kJ mol(-1), as measured spectroscopically. Modeling of the weak interaction of H2 with the materials requires an accurate force field with a precise description of both dispersion and electrostatics. A novel three body force field for molecular hydrogen is presented, based on the fitting of an accurate PES for the H2-H2 interaction to the experimental dipole polarizability and quadrupole moment. Molecular mechanics simulations of hydrogen adsorption at different coverages confirm the three regimes of adsorption and the structure of the adsorbed phase.

Recovery of high-purity hydrogen from COG

Energy Technology Data Exchange (ETDEWEB)

Tsukiyama, Y

1982-01-01

A general account of the latest trends in the recovery of high-purity hydrogen from coke oven gas (COG), the article being based on both Japanese and overseas literature: 1) Deep-freeze separation: impurities are liquefied and removed. This method make use of the fact that hydrogen is hard to liquefy. 2) The PSA method: high-purity hydrogen is recovered by the adsorption of other constituents at high pressures. This technique makes use of the fact that the adsorption capacity of an adsorbent varies with the partial pressure of the substances being adsorbed. 3) Membrane separation: a permeation separation method that uses a functional polymer separation membrane, and that depends on the fact that hydrogen has a low molecular weight in comparison with the other constituents. (19 refs.) (In Japanese)

Effects of buffer agents on hydrogen adsorption and desorption at/within activated carbon for the negative electrode of aqueous asymmetric supercapacitors

International Nuclear Information System (INIS)

Chien, Hsiu-Chuan; Wu, Tzu-Ho; Rajkumar, Muniyandi; Hu, Chi-Chang

2016-01-01

Highlights: • H adsorption causes local pH increase and negatively shifts the double-layer potential window. • The local pH variation at AC/electrolyte interface can be controlled via adding buffer agents. • H adsorption potential on AC in buffer electrolytes follows the Nernstian dependence. • The pseudocapacitive reversibility of H adsorption/desorption at/within AC is too poor. - Abstract: In this work, the effects of adding buffer agents into aqueous electrolytes on the hydrogen adsorption/desorption behaviour at/within activated carbon are systematically investigated for the negative electrode of asymmetric supercapacitors. Due to the poor electrochemical reversibility of hydrogen adsorption/desorption at/within activated carbon, the hydrogen responses at/within activated carbon are not suitable for pseudo-capacitive energy storage of high-performance asymmetric supercapacitor. The electrochemical adsorption of H atoms consumes protons and causes the local pH change at the activated carbon/electrolyte interface, leading to the negative shift in the H adsorption potential when weakly acidic, neutral, and weakly basic electrolytes without buffer agents are employed. The addition of buffer agents into electrolytes significantly improves the rate of proton supply and promotes the rate of hydrogen adsorption at/within AC. Interestingly, the onset potential of significant H adsorption obtained from the buffered electrolytes generally follows the Nernstian dependence, suggesting the Nerstian dependence of H"+/H_a_d_s on AC at all pH values. In order to obtain the energy storage devices with high coulombic and energy efficiencies, the onset potential of significant H adsorption obtained from the electrolyte containing buffer agents is a reliable lower potential limit of the AC-coated negative electrode for aqueous asymmetric supercapacitors.

Enhanced hydrogen storage by using lithium decoration on phosphorene

Energy Technology Data Exchange (ETDEWEB)

Yu, Zhiyuan; Wan, Neng, E-mail: wn@seu.edu.cn, E-mail: lsy@seu.edu.cn; Lei, Shuangying, E-mail: wn@seu.edu.cn, E-mail: lsy@seu.edu.cn; Yu, Hong [Key Laboratory of Microelectromechanical Systems of the Ministry of Education, Southeast University, Nanjing 210096 (China)

2016-07-14

The hydrogen storage characteristics of Li decorated phosphorene were systematically investigated based on first-principle density functional theory. It is revealed that the adsorption of H{sub 2} on pristine phosphorene is relatively weak with an adsorption energy of 0.06 eV. While this value can be dramatically enhanced to ∼0.2 eV after the phosphorene was decorated by Li, and each Li atom can adsorb up to three H{sub 2} molecules. The detailed mechanism of the enhanced hydrogen storage was discussed based on our density functional theory calculations. Our studies give a conservative prediction of hydrogen storage capacity to be 4.4 wt. % through Li decoration on pristine phosphorene. By comparing our calculations to the present molecular dynamic simulation results, we expect our adsorption system is stable under room temperature and hydrogen can be released after moderate heating.

Substituent effects in heterogeneous catalysis--4. Adsorption estimations during competitive hydrogenation of cyclohexanone and its 2-alkyl derivatives

Energy Technology Data Exchange (ETDEWEB)

Chihara, T; Tanaka, K

1979-02-01

Adsorption estimations during competitive hydrogenation of cyclohexanone and its 2-alkyl derivatives alumina-supported ruthenium, rhodium, and platinum catalysts were obtained in a study to determine the relative contributions of the rate constants and the adsorption equilibrium constants to the substituent-dependent constant. The reaction rates obtained during competitive hydrogenation were in the order cyclohexanone (A) Vertical Bar3:Vertical Bar3: 2-methyl cyclohexanone (B) Vertical Bar3: 2-ethyl cyclohexanone (C) Vertical Bar3: 2-propyl cyclohexanone (D) for all catalysts, whereas the rates obtained during individual hydrogenation were in the order A Vertical Bar3: B approx. C approx. D. The adsorption equilibrium constants which were estimated by analyzing the kinetic data agreed well with the theoretical values derived from statistical mechanics by using a model in which the substrate ketones were immobilely adsorbed.

The effect of amorphous silicon surface hydrogenation on morphology, wettability and its implication on the adsorption of proteins

Energy Technology Data Exchange (ETDEWEB)

Filali, Larbi, E-mail: larbifilali5@gmail.com [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Brahmi, Yamina; Sib, Jamal Dine [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Bouhekka, Ahmed [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria); Département de Physique, Université Hassiba Ben Bouali, 02000 Chlef (Algeria); Benlakehal, Djamel; Bouizem, Yahya; Kebab, Aissa; Chahed, Larbi [Laboratoire de Physique des Couches Minces et Matériaux pour l' Electronique, Université d' Oran 1, Ahmed Ben Bella, BP 1524, El M' naouar 31100 Oran (Algeria)

2016-10-30

Highlights: • Hydrogenation of the surfaces had the effect of reducing the roughness by way of shadow etching. • Roughness was the driving factor affecting the wettability of the hydrogenated surfaces. • Bovine Serum Albumin proteins favored the surfaces with highest hydrogen content. • Surface modification induced secondary structure change of adsorbed proteins. - Abstract: We study the effect of amorphous silicon (a-Si) surface hydrogenation on Bovine Serum Albumin (BSA) adsorption. A set of (a-Si) films was prepared by radio frequency magnetron sputtering (RFMS) and after deposition; they were treated in molecular hydrogen ambient at different pressures (1–3 Pa). Fourier transform infrared attenuated total reflection (FTIR-ATR) spectroscopy and spectroscopic ellipsometry (SE) were used to study the hydrogenation effect and BSA adsorption. Atomic force microscopy (AFM) was used to evaluate morphological changes caused by hydrogenation. The wettability of the films was measured using contact angle measurement, and in the case of the hydrogenated surfaces, it was found to be driven by surface roughness. FTIR-ATR spectroscopy and SE measurements show that proteins had the strongest affinity toward the surfaces with the highest hydrogen content and their secondary structure was affected by a significant decrease of the α-helix component (-27%) compared with the proteins adsorbed on the un-treated surface, which had a predominantly α-helix (45%) structure. The adsorbed protein layer was found to be densely packed with a large thickness (30.9 nm) on the hydrogen-rich surfaces. The most important result is that the surface hydrogen content was the dominant factor, compared to wettability and morphology, for protein adsorption.

Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study.

Science.gov (United States)

Liu, Tingting; Chen, Yuhong; Wang, Haifeng; Zhang, Meiling; Yuan, Lihua; Zhang, Cairong

2017-12-07

The hydrogen storage properties of pristine β 12 -borophene and Li-decorated β 12 -borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance of pristine β 12 -borophene/H₂ and Li- β 12 -borophene/H₂ systems are discussed in detail. The results show that H₂ is dissociated into Two H atoms that are then chemisorbed on β 12 -borophene via strong covalent bonds. Then, we use Li atom to improve the hydrogen storage performance and modify the hydrogen storage capacity of β 12 -borophene. Our numerical calculation shows that Li- β 12 -borophene system can adsorb up to 7 H₂ molecules; while 2Li- β 12 -borophene system can adsorb up to 14 H₂ molecules and the hydrogen storage capacity up to 10.85 wt %.

Hydrogen Storage in Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Long, Jeffrey R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2016-04-28

The design and characterization of new materials for hydrogen storage is an important area of research, as the ability to store hydrogen at lower pressures and higher temperatures than currently feasible would lower operating costs for small hydrogen fuel cell vehicles. In particular, metal-organic frameworks (MOFs) represent promising materials for use in storing hydrogen in this capacity. MOFs are highly porous, three-dimensional crystalline solids that are formed via linkages between metal ions (e.g., iron, nickel, and zinc) and organic molecules. MOFs can store hydrogen via strong adsorptive interactions between the gas molecules and the pores of the framework, providing a high surface area for gas adsorption and thus the opportunity to store hydrogen at significantly lower pressures than with current technologies. By lowering the energy required for hydrogen storage, these materials hold promise in rendering hydrogen a more viable fuel for motor vehicles, which is a highly desirable outcome given the clean nature of hydrogen fuel cells (water is the only byproduct of combustion) and the current state of global climate change resulting from the combustion of fossil fuels. The work presented in this report is the result of collaborative efforts between researchers at Lawrence Berkeley National Lab (LBNL), the National Institute of Standards and Technology (NIST), and General Motors Corporation (GM) to discover novel MOFs promising for H₂ storage and characterize their properties. Described herein are several new framework systems with improved gravimetric and volumetric capacity to strongly bind H₂ at temperatures relevant for vehicle storage. These materials were rigorously characterized using neutron diffraction, to determine the precise binding locations of hydrogen within the frameworks, and high-pressure H₂ adsorption measurements, to provide a comprehensive picture of H₂ adsorption at all relevant pressures. A

Adsorption of arsenate on soils. Part 2: Modeling the relationship between adsorption capacity and soil physiochemical properties using 16 Chinese soils

International Nuclear Information System (INIS)

Jiang Wei; Zhang, Shuzhen; Shan Xiaoquan; Feng Muhua; Zhu Yongguan; McLaren, Ron G.

2005-01-01

An attempt has been made to elucidate the effects of soil properties on arsenate adsorption by modeling the relationships between adsorption capacity and the properties of 16 Chinese soils. The model produced was validated against three Australian and three American soils. The results showed that nearly 93.8% of the variability in arsenate adsorption on the low-energy surface could be described by citrate-dithionite extractable Fe (Fe CD ), clay content, organic matter content (OM) and dissolved organic carbon (DOC); nearly 87.6% of the variability in arsenate adsorption on the high-energy surface could be described by Fe CD , DOC and total arsenic in soils. Fe CD exhibited the most important positive influence on arsenate adsorption. Oxalate extractable Al (Al OX ), citrate-dithionite extractable Al (Al CD ), extractable P and soil pH appeared relatively unimportant for adsorption of arsenate by soils. - Citrate-dithionite extractable Fe has the most important positive influence on arsenate adsorption on soils

Cryogenic adsorption of low-concentration hydrogen on charcoal, 5A molecular sieve, sodalite, ZSM-5 and Wessalith DAY

International Nuclear Information System (INIS)

Willms, R.S.

1993-01-01

The separation of low-concentration hydrogen isotopes from helium is a processing step that is required for ceramic lithium breeding blanket processing. Cryogenic adsorption is one method of effecting this separation. In this study live adsorbents were considered for this purpose: charcoal, 5A molecular sieve, UOP S-115, ZSM-5 and Wessalith DAY. The first two adsorbents exhibit good equilibrium loadings and are shown to be quite effective at adsorbing low-concentration hydrogen isotopes. The latter three adsorbents display considerably lower equilibrium loadings. This study concludes that by using either charcoal or 5A molecular sieve, cryogenic adsorption would be an effective means of separating hydrogen isotopes from helium

Development of an installation for the production of high-purity hydrogen using the pressure-swing-adsorption process with coke-oven gas as feedstock

Energy Technology Data Exchange (ETDEWEB)

Nakamura, M; Sugishita, M

1986-04-01

This paper describes how Nippon Steel developed a process for producing high-purity hydrogen using the PSA method with coke-oven gas as a feedstock. The process comprises a gas-compression and gas-cooling stage, a pre-treatment stage, an adsorption stage, a de-oxygenation stage and various control and maintenance devices, etc. The triple-tower plant constructed is the equivalent of a four-tower conventional installation, with a maximum capacity of around 10,000 Nm/sup 3//h. 1 tab., 14 figs., 3 refs.

p-Chlorophenol adsorption on activated carbons with basic surface properties

Science.gov (United States)

Lorenc-Grabowska, Ewa; Gryglewicz, Grażyna; Machnikowski, Jacek

2010-05-01

The adsorption of p-chlorophenol (PCP) from aqueous solution on activated carbons (ACs) with basic surface properties has been studied. The ACs were prepared by two methods. The first method was based on the modification of a commercial CWZ AC by high temperature treatment in an atmosphere of ammonia, nitrogen and hydrogen. The second approach comprised the carbonization followed by activation of N-enriched polymers and coal tar pitch using CO 2 and steam as activation agent. The resultant ACs were characterized in terms of porous structure, elemental composition and surface chemistry (pH PZC, acid/base titration, XPS). The adsorption of PCP was carried out from an aqueous solution in static conditions. Equilibrium adsorption isotherm was of L2 type for polymer-based ACs, whereas L3-type isotherm was observed for CWZ ACs series. The Langmuir monolayer adsorption capacity was related to the porous structure and the amount of basic sites. A good correlation was found between the adsorption capacity and the volume of micropores with a width water molecule adsorption on the PCP uptake is discussed.

N-doping effectively enhances the adsorption capacity of biochar for heavy metal ions from aqueous solution.

Science.gov (United States)

Yu, Wenchao; Lian, Fei; Cui, Guannan; Liu, Zhongqi

2018-02-01

N-doping was successfully employed to improve the adsorption capacity of biochar (BC) for Cu 2+ and Cd 2+ by direct annealing of crop straws in NH 3 . The surface N content of BC increased more than 20 times by N-doping; meanwhile the content of oxidized-N was gradually diminished but graphitic-N was formed and increased with increasing annealing temperature and duration time. After N-doping, a high graphitic-N percentage (46.4%) and S BET (418.7 m 2 /g) can be achieved for BC. As a result, the N-doped BC exhibited an excellent adsorption capacity for Cu 2+ (1.63 mmol g -1 ) and Cd 2+ (1.76 mmol g -1 ), which was up to 4.0 times higher than that of the original BC. Furthermore, the adsorption performance of the N-doped BC remained stable even at acidic conditions. A positive correlation can be found between adsorption capacity with the graphitic N content on BC surface. The surface chemistry of N-doped BC before and after the heavy metal ions adsorption was carefully examined by XPS and FTIR techniques, which indicated that the adsorption mechanisms mainly included cation-π bonding and complexation with graphitic-N and hydroxyl groups of carbon surfaces. Copyright © 2017 Elsevier Ltd. All rights reserved.

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface

Energy Technology Data Exchange (ETDEWEB)

Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Hupalo, Myron [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Wang, Yangang [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Supercomputing Center of Computer Network Information Center, CAS, Beijing 100190 (China); McDougall, Dan; Tringides, Michael; Ho, Kaiming [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)

2013-12-14

The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H{sub 2} molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H{sub 2} molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

Hydrogen storage by carbon materials synthesized from oil seeds and fibrous plant materials

Energy Technology Data Exchange (ETDEWEB)

Sharon, Maheshwar; Bhardwaj, Sunil; Jaybhaye, Sandesh [Nanotechnology Research Center, Birla College, Kalyan 421304 (India); Soga, T.; Afre, Rakesh [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya (Japan); Sathiyamoorthy, D.; Dasgupta, K. [Powder Metallurgy Division, BARC, Trombay 400 085 (India); Sharon, Madhuri [Monad Nanotech Pvt. Ltd., A702 Bhawani Tower, Powai, Mumbai 400 076 (India)

2007-12-15

Carbon materials of various morphologies have been synthesized by pyrolysis of various oil-seeds and plant's fibrous materials. These materials are characterized by SEM and Raman. Surface areas of these materials are determined by methylene blue method. These carbon porous materials are used for hydrogen storage. Carbon fibers with channel type structure are obtained from baggas and coconut fibers. It is reported that amongst the different plant based precursors studied, carbon from soyabean (1.09 wt%) and baggas (2.05 wt%) gave the better capacity to store hydrogen at 11kg/m{sup 2} pressure of hydrogen at room temperature. Efforts are made to correlate the hydrogen adsorption capacity with intensities and peak positions of G- and D-band obtained with carbon materials synthesized from plant based precursors. It is suggested that carbon materials whose G-band is around 1575cm{sup -1} and the intensity of D-band is less compared to G-band, may be useful material for hydrogen adsorption study. (author)

Modification of single wall carbon nanotubes (SWNT) for hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Rashidi, A.M.; Nouralishahi, A.; Karimi, A.; Kashefi, K. [Nanotechnology Research Center, Research Institute of petroleum industry (RIPI), Tehran (Iran); Khodadadi, A.A.; Mortazavi, Y. [Chemical engineering Department, University of Tehran, Tehran (Iran)

2010-09-15

Due to unique structural, mechanical and electrical properties of single wall carbon nanotubes, SWNTs, they have been proposed as promising hydrogen storage materials especially in automotive industries. This research deals with investing of CNT's and some activated carbons hydrogen storage capacity. The CNT's were prepared through natural gas decomposition at a temperature of 900 C over cobalt-molybdenum nanoparticles supported by nanoporous magnesium oxide (Co-Mo/MgO) during a chemical vapor deposition (CVD) process. The effects of purity of CNT (80-95%wt.) on hydrogen storage were investigated here. The results showed an improvement in the hydrogen adsorption capacity with increasing the purity of CNT's. Maximum adsorption capacity was 0.8%wt. in case of CNT's with 95% purity and it may be raised up with some purification to 1%wt. which was far less than the target specified by DOE (6.5%wt.). Also some activated carbons were manufactured and the results compared to CNTs. There were no considerable H{sub 2}-storage for carbon nanotubes and activated carbons at room-temperature due to insufficient binding between H{sub 2} molecules carbon nanostructures. Therefore, hydrogen must be adsorbed via interaction of atomic hydrogen with the storage environment in order to achieve DOE target, because the H atoms have a very stronger interaction with carbon nanostructures. (author)

Hydrogen production from food wastes and gas post-treatment by CO2 adsorption

International Nuclear Information System (INIS)

Redondas, V.; Gómez, X.; García, S.; Pevida, C.; Rubiera, F.; Morán, A.; Pis, J.J.

2012-01-01

Highlights: ► The dark fermentation process of food wastes was studied over an extended period. ► Decreasing the HRT of the process negatively affected the specific gas production. ► Adsorption of CO 2 was successfully attained using a biomass type activated carbon. ► H 2 concentration in the range of 85–95% was obtained for the treated gas-stream. - Abstract: The production of H 2 by biological means, although still far from being a commercially viable proposition, offers great promise for the future. Purification of the biogas obtained may lead to the production of highly concentrated H 2 streams appropriate for industrial application. This research work evaluates the dark fermentation of food wastes and assesses the possibility of adsorbing CO 2 from the gas stream by means of a low cost biomass-based adsorbent. The reactor used was a completely stirred tank reactor run at different hydraulic retention times (HRTs) while the concentration of solids of the feeding stream was kept constant. The results obtained demonstrate that the H 2 yields from the fermentation of food wastes were affected by modifications in the hydraulic retention time (HRT) due to incomplete hydrolysis. The decrease in the duration of fermentation had a negative effect on the conversion of the substrate into soluble products. This resulted in a lower amount of soluble substrate being available for metabolisation by H 2 producing microflora leading to a reduction in specific H 2 production. Adsorption of CO 2 from a gas stream generated from the dark fermentation process was successfully carried out. The data obtained demonstrate that the column filled with biomass-derived activated carbon resulted in a high degree of hydrogen purification. Co-adsorption of H 2 S onto the activated carbon also took place, there being no evidence of H 2 S present in the bio-H 2 exiting the column. Nevertheless, the concentration of H 2 S was very low, and this co-adsorption did not affect the CO 2

Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

Science.gov (United States)

Mulder, F. M.; Dingemans, T. J.; Schimmel, H. G.; Ramirez-Cuesta, A. J.; Kearley, G. J.

2008-07-01

Hydrogen adsorption in porous, high surface area, and stable metal organic frameworks (MOF's) appears a novel route towards hydrogen storage materials [N.L. Rosi, J. Eckert, M. Eddaoudi, D.T. Vodak, J. Kim, M. O'Keeffe, O.M. Yaghi, Science 300 (2003) 1127; J.L.C. Rowsell, A.R. Millward, K. Sung Park, O.M. Yaghi, J. Am. Chem. Soc. 126 (2004) 5666; G. Ferey, M. Latroche, C. Serre, F. Millange, T. Loiseau, A. Percheron-Guegan, Chem. Commun. (2003) 2976; T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle, M. Henry, T. Bataille, G. Férey, Chem. Eur. J. 10 (2004) 1373]. A prerequisite for such materials is sufficient adsorption interaction strength for hydrogen adsorbed on the adsorption sites of the material because this facilitates successful operation under moderate temperature and pressure conditions. Here we report detailed information on the geometry of the hydrogen adsorption sites, based on the analysis of inelastic neutron spectroscopy (INS). The adsorption energies for the metal organic framework MOF5 equal about 800 K for part of the different sites, which is significantly higher than for nanoporous carbon materials (˜550 K) [H.G. Schimmel, G.J. Kearley, M.G. Nijkamp, C.T. Visser, K.P. de Jong, F.M. Mulder, Chem. Eur. J. 9 (2003) 4764], and is in agreement with what is found in first principles calculations [T. Sagara, J. Klassen, E. Ganz, J. Chem. Phys. 121 (2004) 12543; F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113]. Assignments of the INS spectra is realized using comparison with independently published model calculations [F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113] and structural data [T. Yildirim, M.R. Hartman, Phys. Rev. Lett. 95 (2005) 215504].

Adsorption of emerging contaminant metformin using graphene oxide.

Science.gov (United States)

Zhu, Shuai; Liu, Yun-Guo; Liu, Shao-Bo; Zeng, Guang-Ming; Jiang, Lu-Hua; Tan, Xiao-Fei; Zhou, Lu; Zeng, Wei; Li, Ting-Ting; Yang, Chun-Ping

2017-07-01

The occurrence of emerging contaminants in our water resources poses potential threats to the livings. Due to the poor treatment in wastewater management, treatment technologies are needed to effectively remove these products for living organism safety. In this study, Graphene oxide (GO) was tested for the first time for its capacity to remove a kind of emerging wastewater contaminants, metformin. The research was conducted by using a series of systematic adsorption and kinetic experiments. The results indicated that GO could rapidly and efficiently reduce the concentration of metformin, which could provide a solution in handling this problem. The uptake of metformin on the graphene oxide was strongly dependent on temperature, pH, ionic strength, and background electrolyte. The adsorption kinetic experiments revealed that almost 80% removal of metformin was achieved within 20 min for all the doses studied, corresponding to the relatively high k 1 (0.232 min -1 ) and k 2 (0.007 g mg -1  min -1 ) values in the kinetic models. It indicated that the highest adsorption capacity in the investigated range (q m ) of GO for metformin was at pH 6.0 and 288 K. Thermodynamic study indicated that the adsorption was a spontaneous (ΔG 0  adsorption of metformin increased when the pH values changed from 4.0 to 6.0, and decreased adsorption were observed at pH 6.0-11.0. GO still exhibited excellent adsorption capacity after several desorption/adsorption cycles. Besides, both so-called π-π interactions and hydrogen bonds might be mainly responsible for the adsorption of metformin onto GO. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption capacity of methylene blue, an organic pollutant, by montmorillonite clay

KAUST Repository

Feddal, I.; Ramdani, Amina; Taleb, Safia; Gaigneaux, E. M.; Batis, Narjè s Harrouch; Ghaffour, NorEddine

2013-01-01

The isotherms and kinetics of the adsorption of a cationic dye in aqueous solution, methylene blue, on a local Algerian montmorillonite clay mineral (raw, sodium and thermally activated at 300 and 500°C) were determined experimentally. Various parameters influencing the adsorption were optimized, mainly solid-liquid contact time, mass of adsorbent, initial concentration of dye, pH of the solution and temperature. Results showed that the adsorption kinetics were fast: 30 min for the raw clay mineral, and 20 min for sodium clay mineral (SC) and thermally activated at 300°C, whereas with the clay mineral calcined at 500°C, the equilibrium was reached after 150 min only. The maximum adsorption capacity was reached at pH 6.6. Results deducted from the adsorption isotherms also showed that the retention follows the Langmuir model. In addition, it was found that the kinetics were in the order of 2 (K = 2.457 × 106 g/mg.h) for sodium clay and were limited by an intra-particle diffusion. SC was found to be a better adsorbent to remove methylene blue from industrial wastewater. © 2013 Balaban Desalination Publications. All rights reserved.

Adsorption capacity of methylene blue, an organic pollutant, by montmorillonite clay

KAUST Repository

Feddal, I.

2013-11-19

The isotherms and kinetics of the adsorption of a cationic dye in aqueous solution, methylene blue, on a local Algerian montmorillonite clay mineral (raw, sodium and thermally activated at 300 and 500°C) were determined experimentally. Various parameters influencing the adsorption were optimized, mainly solid-liquid contact time, mass of adsorbent, initial concentration of dye, pH of the solution and temperature. Results showed that the adsorption kinetics were fast: 30 min for the raw clay mineral, and 20 min for sodium clay mineral (SC) and thermally activated at 300°C, whereas with the clay mineral calcined at 500°C, the equilibrium was reached after 150 min only. The maximum adsorption capacity was reached at pH 6.6. Results deducted from the adsorption isotherms also showed that the retention follows the Langmuir model. In addition, it was found that the kinetics were in the order of 2 (K = 2.457 × 106 g/mg.h) for sodium clay and were limited by an intra-particle diffusion. SC was found to be a better adsorbent to remove methylene blue from industrial wastewater. © 2013 Balaban Desalination Publications. All rights reserved.

Ultra-high adsorption capacity of zeolitic imidazole framework-67 (ZIF-67) for removal of malachite green from water.

Science.gov (United States)

Lin, Kun-Yi Andrew; Chang, Hsuan-Ang

2015-11-01

Zeolitic imidazole frameworks (ZIFs), a new class of adsorbents, are proposed to adsorb Malachite Green (MG) in water. Particularly, ZIF-67 was selected owing to its stability in water and straightforward synthesis. The as-synthesized ZIF-67 was characterized and used to adsorb MG from water. Factors affecting the adsorption capacity were investigated including mixing time, temperature, the presence of salts and pH. The kinetics, adsorption isotherm and thermodynamics of the MG adsorption to ZIF-67 were also studied. The adsorption capacity of ZIF-67 for MG could be as high as 2430mgg(-1) at 20°C, which could be improved at the higher temperatures. Such an ultra-high adsorption capacity of ZIF-67 was almost 10-times of those of conventional adsorbents, including activated carbons and biopolymers. A mechanism for the high adsorption capacity was proposed and possibly attributed to the π-π stacking interaction between MG and ZIF-67. ZIF-67 also could be conveniently regenerated by washing with ethanol and the regeneration efficiency could remain 95% up to 4 cycles of the regeneration. ZIF-67 was also able to remove MG from the aquaculture wastewater, in which MG can be typically found. These features enable ZIF-67 to be one of the most effective and promising adsorbent to remove MG from water. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structural and electronic properties of hydrogen adsorptions on BC3 sheet and graphene: a comparative study

International Nuclear Information System (INIS)

Chuang, Feng-Chuan; Huang, Zhi-Quan; Lin, Wen-Huan; Albao, Marvin A; Su, Wan-Sheng

2011-01-01

We have systematically investigated the effect of hydrogen adsorption on a single BC 3 sheet as well as graphene using first-principles calculations. Specifically, a comparative study of the energetically favorable atomic configurations for both H-adsorbed BC 3 sheets and graphene at different hydrogen concentrations ranging from 1/32 to 4/32 ML and 1/8 to 1 ML was undertaken. The preferred hydrogen arrangement on the single BC 3 sheet and graphene was found to have the same property as that of the adsorbed H atoms on the neighboring C atoms on the opposite sides of the sheet. Moreover, at low coverage of H, the pattern of hydrogen adsorption on the BC 3 shows a proclivity toward formation on the same ring, contrasting their behavior on graphene where they tend to form the elongated zigzag chains instead. Lastly, both the hydrogenated BC 3 sheet and graphene exhibit alternation of semiconducting and metallic properties as the H concentration is increased. These results suggest the possibility of manipulating the bandgaps in a single BC 3 sheet and graphene by controlling the H concentrations on the BC 3 sheet and graphene.

Mesoporous g-C₃N₄ Nanosheets: Synthesis, Superior Adsorption Capacity and Photocatalytic Activity.

Science.gov (United States)

Li, Dong-Feng; Huang, Wei-Qing; Zou, Lan-Rong; Pan, Anlian; Huang, Gui-Fang

2018-08-01

Elimination of pollutants from water is one of the greatest challenges in resolving global environmental issues. Herein, we report a high-surface-area mesoporous g-C3N4 nanosheet with remarkable high adsorption capacity and photocatalytic performance, which is prepared through directly polycondensation of urea followed by a consecutive one-step thermal exfoliation strategy. This one-pot method to prepare mesoporous g-C3N4 nanosheet is facile and rapid in comparison with others. The superior adsorption capacity of the fabricated mesoporous g-C3N4 nanostructures is demonstrated by a model organic pollutant-methylene blue (MB), which is up to 72.2 mg/g, about 6 times as that of the largest value of various g-C3N4 adsorbents reported so far. Moreover, this kind of porous g-C3N4 nanosheet exhibits high photocatalytic activity to MB and phenol degradation. Particularly, the regenerated samples show excellent performance of pollutant removal after consecutive adsorption/degradation cycles. Therefore, this mesoporous g-C3N4 nanosheet may be an attractive robust metal-free material with great promise for organic pollutant elimination.

Study on the Adsorption Capacities for Airborne Particulates of Landscape Plants in Different Polluted Regions in Beijing (China

Directory of Open Access Journals (Sweden)

Wei-Kang Zhang

2015-08-01

Full Text Available Urban landscape plants are an important component of the urban ecosystem, playing a significant role in the adsorption of airborne particulates and air purification. In this study, six common landscape plants in Beijing were chosen as research subjects, and the adsorption capacities for each different plant leaf and the effects of the leaf structures for the adsorption capacities for particulates were determined. Preliminary results show that needle-leaved tree species adsorbed more airborne particulates than broad-leaved tree species for the same leaf area. Pinus tabuliformis exhibits the highest adsorption capacity, at 3.89 ± 0.026 μg·cm−2, almost two times as much as that of Populus tomentosa (2.00 ± 0.118 μg·cm−2. The adsorption capacities for PM10 of the same tree species leaves, in different polluted regions had significant differences, and the adsorption capacities for PM10 of the tree species leaf beside the Fifth Ring Road were higher than those of the tree species leaves in the Botanical Garden, although the adsorption capacities for PM2.5 of the same tree species in different polluted regions had no significant differences. By determining the soluble ion concentrations of the airborne particulates in two regions, it is suggested that the soluble ion concentrations of PM10 in the atmosphere in the Botanical Garden and beside the Fifth Ring Road have significant differences, while those of PM2.5 in the atmosphere had no significant differences. In different polluted regions there are significant adaptive changes to the leaf structures, and when compared with slightly polluted region, in the seriously polluted region the epidermis cells of the plant leaves shrinked, the surface textures of the leaves became rougher, and the stomas’ frequency and the pubescence length increased. Even though the plant leaves exposed to the seriously polluted region changed significantly, these plants can still grow normally and healthily.

Adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts

Energy Technology Data Exchange (ETDEWEB)

Etherton, B.P.

1980-01-01

The adsorption and desorption of hydrogen and carbon monoxide were studied on alumina-supported iridium catalysts which were examined by a scanning transmission electron microscope (STEM). The metal particle size and number of particles per area of catalyst increased with increasing metal loading. The particles were approx. 10 A. in diameter, cubo-octahedral shaped, and approx. 80-90% disperse. The STEM electron beam caused negligible damage to the samples. Hydrogen adsorption measurements showed that the hydrogen-iridium atom ratio was 1.2:1-1.3:1 and increased with decreasing metal loading. Temperature-programed desorption showed four types of adsorbed hydrogen desorbing at -90/sup 0/C (I), 15/sup 0/C (IV), 115/sup 0/C (II), and 245/sup 0/C (III). Types II and IV desorb from single atom sites and Types I and III from multiple atom sites. Type I is in rapid equilibrium with the gas phase. All desorption processes appear to be first order. Carbon monoxide adsorbed nondissociatively at 25/sup 0/C with approx. 0.7:1 CO/Ir atom ratio. It adsorbed primarily in linear forms at low coverage, but a bridged form appeared at high coverage.

Adsorption Capacity of a Volcanic Rock—Used in ConstructedWetlands—For Carbamazepine Removal, and Its Modification with Biofilm Growth

Directory of Open Access Journals (Sweden)

Allan Tejeda

2017-09-01

Full Text Available In this study, the aim was to evaluate the adsorption capacity of a volcanic rock commonly used in Mexico as filter medium in constructed wetlands (locally named tezontle for carbamazepine (CBZ adsorption, as well as to analyze the change in its capacity with biofilm growth. Adsorption essays were carried out under batch conditions by evaluating two particle sizes of tezontle, two values of the solution pH, and two temperatures; from these essays, optimal conditions for carbamazepine adsorption were obtained. The optimal conditions (pH 8, 25 °C and 0.85–2.0 mm particle-size were used to evaluate the adsorption capacity of tezontle with biofilm, which was promoted through tezontle exposition to wastewater in glass columns, for six months. The maximum adsorption capacity of clean tezontle was 3.48 µg/g; while for the tezontle with biofilm, the minimum value was 1.75 µg/g (after the second week and the maximum, was 3.3 µg/g (after six months with a clear tendency of increasing over time. The adsorption kinetic was fitted to a pseudo-second model for both tezontle without biofilm and with biofilm, thus indicating a chemisorption process. On clean tezontle, both acid active sites (AAS and basic active sites (BAS were found in 0.087 and 0.147 meq/g, respectively. The increase in the adsorption capacity of tezontle with biofilm, along the time was correlated with a higher concentration of BAS, presumably from a greater development of biofilm. The presence of biofilm onto tezontle surface was confirmed through FTIR and FE-SEM. These results confirm the essential role of filter media for pharmaceutical removal in constructed wetlands (CWs.

Improved CO_2 adsorption capacity and cyclic stability of CaO sorbents incorporated with MgO

International Nuclear Information System (INIS)

Farah Diana Mohd Daud; Kumaravel Vignesh; Srimala Sreekantan; Abdul Rahman Mohamed

2016-01-01

Calcium oxide (CaO) sorbents incorporated with magnesium oxide (MgO) were synthesized using a co-precipitation route. The sorbents were prepared with different MgO concentrations (from 5 wt% to 30 wt%). The as-prepared sorbents were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX) and BET surface area analysis techniques. The sintering effect of CaO sorbents was decreased after the incorporation of MgO. The sorbents with 5 wt% and 10 wt% of MgO retained their CO_2 adsorption capacity over multiple cycles. Most importantly, CaO with 10 wt% MgO showed constant CO_2 adsorption capacity over 30 carbonation cycles. The results revealed that CaO with 10 wt% MgO is sufficient to produce sorbents with high surface area, good structural stability and enhanced CO_2 adsorption capacity. (authors)

Complexes of DOTA-bisphosphonate conjugates: probes for determination of adsorption capacity and affinity constants of hydroxyapatite.

Science.gov (United States)

Vitha, Tomas; Kubícek, Vojtech; Hermann, Petr; Kolar, Zvonimir I; Wolterbeek, Hubert Th; Peters, Joop A; Lukes, Ivan

2008-03-04

The adsorption on hydroxyapatite of three conjugates of a bisphosphonate and a macrocycle having C1, C2, and C3 spacers and their terbium complexes was studied by the radiotracer method using 160Tb as the label. The radiotracer-containing complex of the conjugate with the C3 spacer was used as a probe for the determination of the adsorption parameters of other bisphosphonates that lack a DOTA unit. A physicochemical model describing the competitive adsorption was successfully applied in the fitting of the obtained data. The maximum adsorption capacity of bisphosphonates containing bulky substituents is determined mainly by their size. For bisphosphonates having no DOTA moiety, the maximum adsorption capacity is determined by the electrostatic repulsion between negatively charged bisphosphonate groups. Compounds with a hydroxy or amino group attached to the alpha-carbon atom show higher affinities. Macrocyclic compounds containing a short spacer between the different bisphosphonic acid groups and the macrocyclic unit exhibit high affinities, indicating a synergic effect of the bisphosphonic and the macrocyclic groups during adsorption. The competition method described uses a well-characterized complex and allows a simple evaluation of the adsorption behavior of bisphosphonates. The application of the macrocycle-bisphosphonate conjugates allows easy radiolabeling via complexation of a suitable metal isotope.

Study of adsorption properties on lithium doped activated carbon materials

International Nuclear Information System (INIS)

Los, S.; Daclaux, L.; Letellier, M.; Azais, P.

2005-01-01

A volumetric method was applied to study an adsorption coefficient of hydrogen molecules in a gas phase on super activated carbon surface. The investigations were focused on getting the best possible materials for the energy storage. Several treatments on raw samples were used to improve adsorption properties. The biggest capacities were obtain after high temperature treatment at reduced atmosphere. The adsorption coefficient at 77 K and 2 MPa amounts to 3.158 wt.%. The charge transfer between lithium and carbon surface groups via the doping reaction enhanced the energy of adsorption. It was also found that is a gradual decrease in the adsorbed amount of H 2 molecules due to occupation active sites by lithium ions. (author)

Adsorption of pharmaceuticals onto isolated polyamide active layer of NF/RO membranes.

Science.gov (United States)

Liu, Yan-Ling; Wang, Xiao-Mao; Yang, Hong-Wei; Xie, Yuefeng F

2018-06-01

Adsorption of trace organic compounds (TrOCs) onto the membrane materials has a great impact on their rejection by nanofiltration (NF) and reverse osmosis (RO) membranes. This study aimed to investigate the difference in adsorption of various pharmaceuticals (PhACs) onto different NF/RO membranes and to demonstrate the necessity of isolating the polyamide (PA) active layer from the polysulfone (PS) support layer for adsorption characterization and quantification. Both the isolated PA layers and the PA+PS layers of NF90 and ESPA1 membranes were used to conduct static adsorption tests. Results showed that apparent differences existed between the PA layer and the PA+PS layer in the adsorption capacity of PhACs as well as the time necessary to reach the adsorption equilibrium. PhACs with different physicochemical properties could be adsorbed to different extents by the isolated PA layer, which was mainly attributed to electrostatic attraction/repulsion and hydrophobic interactions. The PA layer of ESPA1 exhibited apparently higher adsorption capacities for the positively charged PhACs and similar adsorption capacities for the neutral PhACs although it had significantly less total interfacial area (per unit membrane surface area) for adsorption compared to the PA layer of NF90. The higher affinity of the PA layer of ESPA1 for the PhACs could be due to its higher capacity of forming hydrogen bonds with PhACs resulted from the modified chemistry with more -OH groups. This study provides a novel approach to determining the TrOC adsorption onto the active layer of membranes for the ease of investigating adsorption mechanisms. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

Energy Technology Data Exchange (ETDEWEB)

Faye, Omar, E-mail: omf071@mail.usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal); Szpunar, Jerzy A; Szpunar, Barbara [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9 Saskatchewan (Canada); Beye, Aboubaker Chedikh [Department of Condensed Matter Physics, Cheikh Anta Diop University, Dakar (Senegal)

2017-01-15

Highlights: • H{sub 2} adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H{sub 2} molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H{sub 2} molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H{sub 2} adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H{sub 2} molecules, which helps also to avoid the desorption of Pd(H{sub 2}){sub n} (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

Hydrogen adsorption and storage on Palladium – functionalized graphene with NH-dopant: A first principles calculation

International Nuclear Information System (INIS)

Faye, Omar; Szpunar, Jerzy A; Szpunar, Barbara; Beye, Aboubaker Chedikh

2017-01-01

Highlights: • H_2 adsorption in single and double-sided Pd-G(3x3) and the effect of NH radical on graphene were studied. • Strong interaction of Pd and graphene in double-sided Pd-G(3x3) than that in the single-sided Pd-G(3x3). • The storage capacity was 3.622 wt% with a binding energy of 0.658 eV/H2. • The increase of NH radicals on Pd-G(3x3) enhanced the binding of Pd atoms on the graphene sheet. • We predicted that 2NH-dopant at the opposite site of Pd atoms prevents the desorption of Pd atom from graphene sheet. - Abstract: We conducted a detailed theoretical investigation of the structural and electronic properties of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized graphene, which are shown to be efficient materials for hydrogen storage. Nitrene radical dopant was an effective addition required for enhancing the Pd binding on the graphene sheet as well as the storage of hydrogen. We found that up to eight H_2 molecules could be adsorbed by double-sided Pd-functionalized graphene at 0 K with an average binding energy in the range 1.315–0.567 eVA gravimetric hydrogen density of 3.622 wt% was reached in the Pd-functionalized graphene on both sides. The binding mechanism of H_2 molecules came not only the polarization mechanism between Pd and H atoms but also from the binding of the Pd atoms on the graphene sheet and the orbital hybridization. The most crucial part of our work is measuring the effect of nitrene radical on the H_2 adsorption on Pd-functionalized graphene. Our calculations predicted that the addition of NH radicals on Pd-functionalized graphene enhance the binding of H_2 molecules, which helps also to avoid the desorption of Pd(H_2)_n (n = 1–5) complexes from graphene sheet. Our results also predict Pd-functionalized NH-doped graphene is a potential hydrogen storage medium for on-board applications.

Investigation of hydrogen adsorption centers on Y2O3 by IR-spectroscopy method in diffusive-scattered light

International Nuclear Information System (INIS)

Zubkov, S.A.; Borovkov, V.Yu.

1985-01-01

Adsorption of hydrogen and carbon oxide at the yttrium oxide at 80 K (5x30 3 PaH 2 ) and 300 K (6.5x10 2 PaCO) respectively are studied by the method of IR spectroscopy. It is shown, that at the surface of yttrium oxide trained in vacuum at 970 K, at least four types of centres of hydrogen adsorption, able to polarize H-H bond in a molecule, exist. Acid-base couple is the highest polarized centre, in the content of which there is a coordination-unsaturated highly-charged yttrium cation. Low-temperature dissociation of hydrogen on Y 2 O 3 surface occurs on the centres which polarized H-H bond in molecule comparatively slow

Adsorption of tannic acid from aqueous solution onto surfactant-modified zeolite

Energy Technology Data Exchange (ETDEWEB)

Lin, Jianwei, E-mail: jwlin@shou.edu.cn [College of Marine Science, Shanghai Ocean University, No. 999 Hucheng Huan Road, Pudong District, Shanghai 201306 (China); Zhan, Yanhui; Zhu, Zhiliang [State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Xing, Yunqing [College of Marine Science, Shanghai Ocean University, No. 999 Hucheng Huan Road, Pudong District, Shanghai 201306 (China)

2011-10-15

capacity for SMZ-CBC was relatively high at solution pH 4.0-7.0, and decreased with an increase in solution pH from 7.0 to 8.5. The mechanisms controlling TA adsorption onto SMZ-CBC at solution pH 5.5 include electrostatic attraction, hydrogen bonding and organic partitioning.

Adsorption/oxidation of sulfur-containing gases on nitrogen-doped activated carbon

Directory of Open Access Journals (Sweden)

Liu Qiang

2016-01-01

Full Text Available Coconut shell-based activated carbon (CAC was used for the removal of methyl mercaptan (MM. CAC was modified by urea impregnation and calcined at 450°C and 950°C. The desulfurization activity was determined in a fixed bed reactor under room temperature. The results showed that the methyl mercaptan adsorption/oxidation capacity of modified carbon caicined at 950°C is more than 3 times the capacity of original samples. On the other hand, the modified carbon caicined at 950°C also has a high capacity for the simultaneous adsorption/oxidation of methyl mercaptan and hydrogen sulfide.The introduce of basic nitrogen groups siginificantly increases the desulfurization since it can facilitate the electron transfer process between sulfur and oxygen. The structure and chemical properties are characterized using Boehm titration, N2 adsorption-desorption method, thermal analysis and elemental analysis. The results showed that the major oxidation products were dimethyl disulfide and methanesulfonic acid which adsorbed in the activated carbon.

Large entropy derived from low-frequency vibrations and its implications for hydrogen storage

Science.gov (United States)

Wang, Xiaoxia; Chen, Hongshan

2018-02-01

Adsorption and desorption are driven by the energy and entropy competition, but the entropy effect is often ignored in hydrogen storage and the optimal adsorption strength for the ambient storage is controversial in the literature. This letter investigated the adsorption states of the H2 molecule on M-B12C6N6 (M = Li, Na, Mg, Ca, and Sc) and analyzed the correlation among the zero point energy (ZPE), the entropy change, and the adsorption energy and their effects on the delivery capacities. The ZPE has large correction to the adsorption energy due to the light mass of hydrogen. The computations show that the potential energies along the spherical surface centered at the alkali metals are very flat and it leads to large entropy (˜70 J/mol.K) of the adsorbed H2 molecules. The entropy change can compensate the enthalpy change effectively, and the ambient storage can be realized with relatively weak adsorption of ΔH = -12 kJ/mol. The results are encouraging and instructive for the design of hydrogen storage materials.

Influence of diatomite microstructure on its adsorption capacity for Pb(II

Directory of Open Access Journals (Sweden)

Nenadović S.

2009-01-01

Full Text Available The effect of microstructural changes caused by mechanical modification on adsorption properties of diatomite samples were investigated. The microstructure has been characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM and atomic force microscopy (AFM while the degree of metal adsorption was evaluated by Inductively Coupled Plasma Atomic Emission Spectrometry (ICP AES. The results show that metal sorption capacity of diatomite is considerably improved after mechanical modification and it can be attributed to amorphysation of the material. Immobilization efficiency increased from 22% for untreated to 81% for the treated sample after 5h at BPR 4.This qualifies natural diatomite as a material for wastewater remediation.

Study of the secondary electron energy spectrum of clean aluminium modification during oxygen adsorption, hydrogen adsorption or carbon segregation

International Nuclear Information System (INIS)

Pellerin, Francois

1981-01-01

The first part of this work is a review of both theoretical and experimental aspects of the fine structure appearing in the Secondary Electron Spectrum (SES) and in the electron energy loss spectrum. In the second part, we report the results of a study of the SES and ELS spectra of clean and gas covered aluminium. The use of very low primary electron energies (E p ≤ 30 eV) enables the detection of previously unobserved peaks in the ELS spectra of clean and oxygen covered aluminium. They are attributed to single electron excitations. Furthermore, a very large peak appears in the SES spectrum during oxygen or carbon adsorption on aluminium. It is interpreted in terms of interaction of the background electrons with the valence electrons of the surface. Molecular hydrogen adsorption is observed on Ta, Pt, Al 2 O 3 , Si. It is responsible for an ELS peak located 13 eV below the elastic peak. Furthermore, on silicon, the chemisorbed hydrogen form can be distinguished from the molecular form with the help of ELS. Finally, some examples are given of the application of these results to surface imaging. (author) [fr

Polyclotrimers of 1,4-Diethynylbenzene, 2,6-Diethynylnaphthalene, and 2,6-Diethynylanthracene: Preparation and Gas Adsorption Properties

Czech Academy of Sciences Publication Activity Database

Zukal, Arnošt; Slováková, E.; Balcar, Hynek; Sedláček, J.

2013-01-01

Roč. 214, č. 18 (2013), s. 2016-2026 ISSN 1022-1352 R&D Projects: GA ČR(CZ) GAP108/11/1661; GA ČR GA203/08/0604 Institutional support: RVO:61388955 Keywords : hydrogen adsorption capacity * microporous polymers * nitrogen adsorption irreversibility Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.451, year: 2013

Calcium-decorated carbyne networks as hydrogen storage media.

Science.gov (United States)

Sorokin, Pavel B; Lee, Hoonkyung; Antipina, Lyubov Yu; Singh, Abhishek K; Yakobson, Boris I

2011-07-13

Among the carbon allotropes, carbyne chains appear outstandingly accessible for sorption and very light. Hydrogen adsorption on calcium-decorated carbyne chain was studied using ab initio density functional calculations. The estimation of surface area of carbyne gives the value four times larger than that of graphene, which makes carbyne attractive as a storage scaffold medium. Furthermore, calculations show that a Ca-decorated carbyne can adsorb up to 6 H(2) molecules per Ca atom with a binding energy of ∼0.2 eV, desirable for reversible storage, and the hydrogen storage capacity can exceed ∼8 wt %. Unlike recently reported transition metal-decorated carbon nanostructures, which suffer from the metal clustering diminishing the storage capacity, the clustering of Ca atoms on carbyne is energetically unfavorable. Thermodynamics of adsorption of H(2) molecules on the Ca atom was also investigated using equilibrium grand partition function.

Metal-functionalized silicene for efficient hydrogen storage.

Science.gov (United States)

Hussain, Tanveer; Chakraborty, Sudip; Ahuja, Rajeev

2013-10-21

First-principles calculations based on density functional theory are used to investigate the electronic structure along with the stability, bonding mechanism, band gap, and charge transfer of metal-functionalized silicene to envisage its hydrogen-storage capacity. Various metal atoms including Li, Na, K, Be, Mg, and Ca are doped into the most stable configuration of silicene. The corresponding binding energies and charge-transfer mechanisms are discussed from the perspective of hydrogen-storage compatibility. The Li and Na metal dopants are found to be ideally suitable, not only for strong metal-to-substrate binding and uniform distribution over the substrate, but also for the high-capacity storage of hydrogen. The stabilities of both Li- and Na-functionalized silicene are also confirmed through molecular dynamics simulations. It is found that both of the alkali metals, Li(+) and Na(+), can adsorb five hydrogen molecules, attaining reasonably high storage capacities of 7.75 and 6.9 wt %, respectively, with average adsorption energies within the range suitable for practical hydrogen-storage applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of food and ice cream on the adsorption capacity of paracetamol to high surface activated charcoal

DEFF Research Database (Denmark)

Høgberg, Lotte Christine Groth; Angelo, Helle Riis; Christophersen, Anne Bolette

2003-01-01

, the reductions compared to control (Hoegberg et al. 2002) varied between 11% and 26%. Even though a reduction in drug adsorption to activated charcoal was observed when food mixture or ice cream was added, the remaining adsorption capacity of both types of activated charcoal theoretically was still able......The effect of added food mixture (as if food was present in the stomach of an intoxicated patient) or 4 different types of ice cream (added as a flavouring and lubricating agent) on the adsorption of paracetamol (acetaminophen) to 2 formulations of activated charcoal was determined in vitro......, and paracetamol were mixed with either food mixture or ice cream followed by one hr incubation. The maximum adsorption capacity of paracetamol to activated charcoal was calculated using Langmuirs adsorption isotherm. Paracetamol concentration was analyzed using high pressure liquid chromatography. In the presence...

Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

International Nuclear Information System (INIS)

Brown, Craig M; Liu Yun; Yildirim, Taner; Peterson, Vanessa K; Kepert, Cameron J

2009-01-01

Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu 3 (1,3,5-benzenetricarboxylate) 2 ), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H 2 -metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H 2 molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H 2 has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

Energy Technology Data Exchange (ETDEWEB)

Brown, Craig M; Liu Yun; Yildirim, Taner [National Institute of Standards and Technology Center for Neutron Research, 100 Bureau Drive, MS 6102 (United States); Peterson, Vanessa K [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia); Kepert, Cameron J [School of Chemistry, The University of Sydney, NSW 2006 (Australia)], E-mail: craig.brown@nist.gov

2009-05-20

Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu{sub 3}(1,3,5-benzenetricarboxylate){sub 2}), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H{sub 2}-metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H{sub 2} molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H{sub 2} has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study

Science.gov (United States)

Brown, Craig M.; Liu, Yun; Yildirim, Taner; Peterson, Vanessa K.; Kepert, Cameron J.

2009-05-01

Hydrogen adsorption in high surface area nanoporous coordination polymers has attracted a great deal of interest in recent years due to the potential applications in energy storage. Here we present combined inelastic neutron scattering measurements and detailed first-principles calculations aimed at unraveling the nature of hydrogen adsorption in HKUST-1 (Cu3(1,3,5-benzenetricarboxylate)2), a metal-organic framework (MOF) with unsaturated metal centers. We reveal that, in this system, the major contribution to the overall binding comes from the classical Coulomb interaction which is not screened due to the open metal site; this explains the relatively high binding energies and short H2-metal distances observed in MOFs with exposed metal sites as compared to traditional ones. Despite the short distances, there is no indication of an elongation of the H-H bond for the bound H2 molecule at the metal site. We find that both the phonon and rotational energy levels of the hydrogen molecule are closely similar, making the interpretation of the inelastic neutron scattering data difficult. Finally, we show that the orientation of H2 has a surprisingly large effect on the binding potential, reducing the classical binding energy by almost 30%. The implication of these results for the development of MOF materials for better hydrogen storage is discussed.

Adsorption of dodecylamine hydrochloride on graphene oxide in water

Directory of Open Access Journals (Sweden)

Peng Chen

Full Text Available Cationic surfactants in water are difficult to be degraded, leading to serious water pollution. In this work, graphene oxide (GO was used as an adsorbent for removing Dodecylamine Hydrochloride (DACl, a representative cationic surfactant. X-ray diffraction (XRD, FT-IR spectroscopy and atomic force microscope (AFM were used to characterize the prepared GO. The adsorption of DACl on GO have been investigated through measurements of adsorption capacity, zeta potential, FTIR, and X-ray photoelectron spectroscopy (XPS. The experimental results have shown that the adsorption kinetics could be described as a rate-limiting pseudo second-order process, and the adsorption isotherm agreed well with the Freundlich model. GO was a good adsorbent for DACl removal, compared with coal fly ash and powdered activated carbon. The adsorption process was endothermic, and could be attributed to electrostatic interaction and hydrogen bonding between DACl and GO. Keywords: Graphene oxide, Dodecylamine hydrochloride, Adsorption isotherm, Adsorption mechanisms

Adsorption of dodecylamine hydrochloride on graphene oxide in water

Science.gov (United States)

Chen, Peng; Li, Hongqiang; Song, Shaoxian; Weng, Xiaoqing; He, Dongsheng; Zhao, Yunliang

Cationic surfactants in water are difficult to be degraded, leading to serious water pollution. In this work, graphene oxide (GO) was used as an adsorbent for removing Dodecylamine Hydrochloride (DACl), a representative cationic surfactant. X-ray diffraction (XRD), FT-IR spectroscopy and atomic force microscope (AFM) were used to characterize the prepared GO. The adsorption of DACl on GO have been investigated through measurements of adsorption capacity, zeta potential, FTIR, and X-ray photoelectron spectroscopy (XPS). The experimental results have shown that the adsorption kinetics could be described as a rate-limiting pseudo second-order process, and the adsorption isotherm agreed well with the Freundlich model. GO was a good adsorbent for DACl removal, compared with coal fly ash and powdered activated carbon. The adsorption process was endothermic, and could be attributed to electrostatic interaction and hydrogen bonding between DACl and GO.

Adsorption/oxidation of hydrogen sulfide on nitrogen-containing activated carbons

Energy Technology Data Exchange (ETDEWEB)

Adib, F.; Bagreev, A.; Bandosz, T.J.

2000-02-22

Wood-based activated carbon was modified by impregnation with urea and heat treatment at 450 and 950 C. The chemical and physical properties of materials were determined using acid/base titration, FTIR, thermal analysis, IGC, and sorption of nitrogen. The surface features were compared to those of a commercial urea-modified carbon. Then, the H{sub 2}S breakthrough capacity tests were carried out, and the sorption capacity was evaluated. The results showed that urea-modified sorbents have a capacity similar to that of the received material; however, the conversion of hydrogen sulfide to a water-soluble species is significantly higher. It happens due to a high dispersion of basic nitrogen compounds in the small pores of carbons, where oxidation of hydrogen sulfide ions to sulfur radicals followed by the creation of sulfur oxides and sulfuric acid occurs. It is proposed that the process proceeds gradually, from small pores to larger, and that the degree of microporosity is an important factor.

Adsorption characteristics of water vapor on ferroaluminophosphate for desalination cycle

KAUST Repository

Kim, Youngdeuk

2014-07-01

The adsorption characteristics of microporous ferroaluminophosphate adsorbent (FAM-Z01, Mitsubishi Plastics) are evaluated for possible application in adsorption desalination and cooling (AD) cycles. A particular interest is its water vapor uptake behavior at assorted adsorption temperatures and pressures whilst comparing them to the commercial silica gels of AD plants. The surface characteristics are first carried out using N2 gas adsorption followed by the water vapor uptake analysis for temperature ranging from 20°C to 80°C. We propose a hybrid isotherm model, composing of the Henry and the Sips isotherms, which can be integrated to satisfactorily fit the experimental data of water adsorption on the FAM-Z01. The hybrid model is selected to fit the unusual isotherm shapes, that is, a low adsorption in the initial section and followed by a rapid vapor uptake leading to a likely micropore volume filling by hydrogen bonding and cooperative interaction in micropores. It is shown that the equilibrium adsorption capacity of FAM-Z01 can be up to 5 folds higher than that of conventional silica gels. Owing to the quantum increase in the adsorbate uptake, the FAM-Z01 has the potential to significantly reduce the footprint of an existing AD plant for the same output capacity. © 2014 Elsevier B.V.

Porous carbon with small mesoporesas an ultra-high capacity adsorption medium

Science.gov (United States)

Gao, Biaofeng; Zhou, Haitao; Chen, De; Yang, Jianhong

2017-10-01

Resins (732-type), abundant and inexpensive resources were used to prepare porous carbon with small mesopores (CSM) by carbonization and post-chemical-activation with potassium hydroxide (KOH). The N2 adsorption measurements revealed that CSM had high surface areas (1776.5 m2 g-1), large pore volumes (1.10 cm3 g-1), and nearly optimal narrow small mesopore sizes ranging from 2 to 7 nm. CSM was used as adsorbent to investigate the adsorption behavior for Rhodamine B (RhB). Due to the optimal pore size distributions (PSD), intensive-stacking interaction, S-doped, and electrostatic attraction, the CSM exhibited an ultra-high-capacity of 1590 mg g-1 for RhB in aqueous solutions.

Theoretical study of hydrogen adsorption of graphene and carbon nanotubes decorated with palladium; Estudio teorico de la adsorcion de hidrogeno sobre grafeno y nanotubos de carbono decorados con paladio

Energy Technology Data Exchange (ETDEWEB)

Lopez Corral, Ignacio; German, Estefania [Departamento de Fisica, Universidad Nacional del Sur (UNS), Bahia Blanca (Argentina); Volpe, Maria A [Planta Piloto de Ingenieria Quimica (UNS/CONICET), Bahia Blanca (Argentina); Brizuela, Graciela; Juan, Alfredo [Departamento de Fisica, Universidad Nacional del Sur (UNS), Bahia Blanca (Argentina)

2008-10-15

Since their discovery in 1991, carbon nanotubes (CNT) have awakened great interest in materials science thanks to their extraordinary structural, electronic and mechanical properties which facilitate their application in many different areas. One of the most promising applications is the possibility of using CNT to store hydrogen for use in small scale fuel cells. Unfortunately, experimental studies performed some years ago have often led to controversial conclusions, causing a continuing debate that has still not been resolved. The most recent work suggests that the storage of hydrogen for practical purposes can be achieved with CNT decorated with transition metals, for example Pd. In this context, theoretical modeling methods have to be used for a detailed understanding of the influence and scope of this type of modification in the interaction of the nanotubes with atomic or molecular hydrogen. This work studied hydrogen adsorption in single-walled carbon nanotubes (SWCNT) doped with Pd atoms, using density functional theory (DFT) and semi-empirical methods. As a preliminary approximation to the system a graphene sheet was used, modeled with a 190 atom cluster of C in a hexagonal arrangement, on which a single Pd atom was placed in adsorption sites. Then C{sub 190} clusters were used to simulate two different types of SWCNT: the zigzag SWCNT of quirality (10.0) and the armchair SWCNT of quirality (5.5), both decorated similarly on the graphene. Geometric optimization procedures for the system's different components were carried out with these models, and then the changes produced during the adsorption process in the electronic occupation of atomic orbitals and unions, for which crystal orbital overlap population (COOP) curves and overlap population (OP) values were evaluated. The results obtained with the graphene and nanotube approximations are in agreement and show that the SWCNT modified with Pd have more capacity to trap hydrogen than the non doped SWCNT. The

High Capacity Hydrogen Storage on Nanoporous Biocarbon

Science.gov (United States)

Burress, Jacob; Wood, Mikael; Gordon, Michael; Parilla, Phillip; Benham, Michael; Wexler, Carlos; Hawthorne, Fred; Pfeifer, Peter

2008-03-01

The Alliance for Collaborative Research in Alternative Fuel Technology (http://all-craft.missouri.edu) has been optimizing nanoporous biocarbon for high capacity hydrogen storage. The hydrogen storage was measured gravimetrically and volumetrically (Sievert's apparatus). These measurements have been validated by NREL and Hiden Isochema. Sample S-33/k, our current best performer, stores 73-91 g H2/kg carbon at 77 K and 47 bar, and 1.0-1.6 g H2/kg carbon at 293 K and 47 bar. Hydrogen isotherms run by Hiden Isochema have given experimental binding energies of 8.8 kJ/mol compared to the binding energy of graphite of 5 kJ/mol. Results from a novel boron doping technique will also be presented. The benefits and validity of using boron-doping on carbon will also be discussed.

Investigation of adsorption performance deterioration in silica gel–water adsorption refrigeration

International Nuclear Information System (INIS)

Wang Dechang; Zhang Jipeng; Xia Yanzhi; Han Yanpei; Wang Shuwei

2012-01-01

Highlights: ► Adsorption deterioration of silica gel in refrigeration systems is verified. ► Possible factors to cause such deterioration are analyzed. ► Specific surface area, silanol content and adsorption capacity are tested. ► The pollution is the primary factor to decline the adsorption capacity. ► Deteriorated samples are partly restored after being processed by acid solution. - Abstract: Silica gel acts as a key role in adsorption refrigeration systems. The adsorption deterioration must greatly impact the performance of the silica gel–water adsorption refrigeration system. In order to investigate the adsorption deterioration of silica gel, many different silica gel samples were prepared according to the application surroundings of silica gel in adsorption refrigeration systems after the likely factors to cause such deterioration were analyzed. The specific surface area, silanol content, adsorption capacity and pore size distribution of those samples were tested and the corresponding adsorption isotherms were achieved. In terms of the experimental data comparisons, it could be found that there are many factors to affect the adsorption performance of silica gel, but the pollution was the primary one to decline the adsorption capacity. In addition, the adsorption performance of the deteriorated samples after being processed by acid solution was explored in order to find the possible methods to restore its adsorption performance.

Nano Structured Activated Carbon for Hydrogen Storge. Project Final Technical Report (May 2, 2005-Dec. 31, 2012)

Energy Technology Data Exchange (ETDEWEB)

Cabasso, Israel; Yuan, Youxin

2013-02-27

Development of a nanostructured synthetic carbons materials that have been synthesized by thermal-decomposition of aromatic rich polyether such as poly(ether ether ketone) (PEEK) is reported. These polymers based nanostructured carbons efficacious for gas adsorption and storage and have Brunauer-Emmett-Teller (BET) surface area of more than 3000 m2/g, and with average pore diameter of < 2nm. Surface-area, pore characteristics, and other critical variables for selecting porous materials of high gas adsorption capacities are presented. Analysis of the fragments evolved under various carbonization temperatures, and the correlation between the activation and carbonization temperatures provides a mechanistic perspective of the pore evolution during activation. Correlations between gas (N2 and H2) adsorption capacity and porous texture of the materials have been established. The materials possess excellent hydrogen storage properties, with hydrogen storage capacity up to 7.4 wt% (gravimetric) and ~ 45 g H2 L-1 (volumetric) at -196oC and 6.0 MPa.

Hydrogen production from palm kernel shell via integrated catalytic adsorption (ICA) steam gasification

International Nuclear Information System (INIS)

Khan, Zakir; Yusup, Suzana; Ahmad, Murni Melati; Chin, Bridgid Lai Fui

2014-01-01

Highlights: • The paper presents integrated catalytic adsorption (ICA) steam gasification for H 2 yield. • Effects of adsorbent to biomass, biomass particle size and fluidization velocity on H 2 yield are examined. • The present study produces higher H 2 yield as compared to that obtained in literatures. • The ICA provides enhancement of H 2 yield as compared to independent catalytic and CO 2 adsorption gasification systems. - Abstract: The present study investigates the integrated catalytic adsorption (ICA) steam gasification of palm kernel shell for hydrogen production in a pilot scale atmospheric fluidized bed gasifier. The biomass steam gasification is performed in the presence of an adsorbent and a catalyst in the system. The effect of adsorbent to biomass (A/B) ratio (0.5–1.5 wt/wt), fluidization velocity (0.15–0.26 m/s) and biomass particle size (0.355–2.0 mm) are studied at temperature of 675 °C, steam to biomass (S/B) ratio of 2.0 (wt/wt) and biomass to catalyst ratio of 0.1 (wt/wt). Hydrogen composition and yield, total gas yield, and lower product gas heating values (LHV gas ) increases with increasing A/B ratio, while particle size has no significant effect on hydrogen composition and yield, total gas and char yield, gasification and carbon conversion efficiency. However, gas heating values increased with increasing biomass particle size which is due to presence of high methane content in product gas. Meanwhile, medium fluidization velocity of 0.21 m/s favoured hydrogen composition and yield. The results showed that the maximum hydrogen composition and yield of 84.62 vol% and 91.11 g H 2 /kg biomass are observed at A/B ratio of 1.5, S/B ratio of 2.0, catalyst to biomass ratio of 0.1 and temperature of 675 °C. The product gas heating values are observed in the range of 10.92–17.02 MJ/N m 3 . Gasification and carbon conversion efficiency are observed in the range of 25.66–42.95% and 20.61–41.95%, respectively. These lower

Enhancing adsorption capacity of toxic malachite green dye through chemically modified breadnut peel: equilibrium, thermodynamics, kinetics and regeneration studies.

Science.gov (United States)

Chieng, Hei Ing; Lim, Linda B L; Priyantha, Namal

2015-01-01

Breadnut skin, in both its unmodified (KS) and base-modified (BM-KS) forms, was investigated for its potential use as a low-cost adsorbent for the removal of toxic dye, malachite green (MG). Characterization of the adsorbents was carried out using scanning electron microscope, X-ray fluorescence and Fourier transform infra-red spectroscopy. Batch adsorption experiments, carried out under optimized conditions, for the adsorption of MG were fitted using five isotherm models (Langmuir, Freundlich, Dubinin-Radushkevich, Temkin and Sips) and six error functions to determine the best-fit model. The adsorption capacity was greatly enhanced when breadnut skin was chemically modified with NaOH, leading to an adsorption capacity of 353.0 mg g(-1), that was far superior to most reported adsorbents for the removal of MG. Thermodynamics studies indicated that the adsorption of MG was spontaneous on KS and BM-KS, and the reactions were endothermic and exothermic, respectively. Kinetics studies showed that both followed the pseudo-second order. Regeneration experiments on BM-KS indicated that its adsorption capacity was still maintained at>90% even after five cycles. It can be concluded that NaOH-modified breadfruit skin has great potential to be utilized in real-life application as a low-cost adsorbent for the removal of MG in wastewater treatment.

Shape-dependent hydrogen-storage properties in Pd nanocrystals: which does hydrogen prefer, octahedron (111) or cube (100)?

Science.gov (United States)

Li, Guangqin; Kobayashi, Hirokazu; Dekura, Shun; Ikeda, Ryuichi; Kubota, Yoshiki; Kato, Kenichi; Takata, Masaki; Yamamoto, Tomokazu; Matsumura, Syo; Kitagawa, Hiroshi

2014-07-23

Pd octahedrons and cubes enclosed by {111} and {100} facets, respectively, have been synthesized for investigation of the shape effect on hydrogen-absorption properties. Hydrogen-storage properties were investigated using in situ powder X-ray diffraction, in situ solid-state (2)H NMR and hydrogen pressure-composition isotherm measurements. With these measurements, it was found that the exposed facets do not affect hydrogen-storage capacity; however, they significantly affect the absorption speed, with octahedral nanocrystals showing the faster response. The heat of adsorption of hydrogen and the hydrogen diffusion pathway were suggested to be dominant factors for hydrogen-absorption speed. Furthermore, in situ solid-state (2)H NMR detected for the first time the state of (2)H in a solid-solution (Pd + H) phase of Pd nanocrystals at rt.

Effect of carbonation temperature on CO_2 adsorption capacity of CaO derived from micro/nanostructured aragonite CaCO_3

International Nuclear Information System (INIS)

Hlaing, Nwe Ni; Sreekantan, Srimala; Hinode, Hirofumi; Kurniawan, Winarto; Thant, Aye Aye; Othman, Radzali; Mohamed, Abdul Rahman; Salime, Chris

2016-01-01

Recent years, CaO-based synthetic materials have been attracted attention as potential adsorbents for CO_2 capture mainly due to their high CO_2 adsorption capacity. In this study, micro/nanostructured aragonite CaCO_3 was synthesized by a simple hydrothermal method with using polyacrylamide (PAM). The structural, morphological and thermal properties of the synthesized sample were investigated by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM) and thermogravimetry analysis (TG-DTA). The XRD and FESEM results showed that the obtained sample was aragonite CaCO_3 with aggregated nanorods and microspheres composed of nanorods. A TG-DTA apparatus with Thermoplus 2 software was used to investigate the effect of carbonation temperature on the CO_2 adsorption capacity of CaO derived from aragonite CaCO_3 sample. At 300 °C, the sample reached the CO_2 adsorption capacity of 0.098 g-CO_2/g-adsorbent, whereas the sample achieved the highest capacity of 0.682 g-CO_2/g-adsorbent at 700 °C. The results showed that the carbonation temperature significantly influenced on the CO_2 adsorption capacity of the CaO derived from aragonite CaCO_3.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

International Nuclear Information System (INIS)

Ouargli-Saker, R.; Bouazizi, N.; Boukoussa, B.; Barrimo, Diana; Paola-Nunes-Beltrao, Ana; Azzouz, A.

2017-01-01

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe"0-NPs and Cu"0-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO_2 and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu"o (CuNPs) and Fe"o (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO_2 retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Metal-loaded SBA-16-like silica – Correlation between basicity and affinity towards hydrogen

Energy Technology Data Exchange (ETDEWEB)

Ouargli-Saker, R. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Bouazizi, N. [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Unité de recherche, Electrochimie, Matériaux et Environnement, Faculté des Sciences de Gabès, Université de Gabès, Cité Erriadh, 6072 Gabès (Tunisia); Boukoussa, B. [Department of Materials Engineering, University of Science and Technology, El M’naouer, BP 1505, Oran (Algeria); Lqamb, Laboratório de Química Analítica Ambiental, Faculdade de Química, Pontifícia Universidade Católica do Rio Grande do Sul (Brazil); Barrimo, Diana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Paola-Nunes-Beltrao, Ana [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada); Laboratory of Materials Chemistry L.C.M, University of Oran1 Ahmed Ben Bella, BP 1524, El-Mnaouer, 31000 Oran (Algeria); Azzouz, A., E-mail: azzouz.a@uqam.ca [Nanoqam, Department of Chemistry, University of Quebec at Montreal, H3C3P8 (Canada)

2017-07-31

Highlights: • Metal dispersion in longitudinal channels confers adsorption properties to SBA-16. • Both Fe{sup 0}-NPs and Cu{sup 0}-NPs seem to be responsible of this effect. • Effect of the repetitive adsorption-desorption cycles on CO{sub 2} and water sorption. • Hydrogen storage on the functionalized materials. - Abstract: Nanoparticles of Cu{sup o} (CuNPs) and Fe{sup o} (FeNPs) were dispersed in SBA-16-like silica, resulting metal-loaded materials (Cu-SBA-16 and Fe-SBA-16) with improved affinity towards hydrogen. Electron microscopy and X-ray diffraction showed that MNP dispersion occurs mainly inside SBA-16 channels. MNP incorporation was found to confer affinity to the silica surface, since higher CO{sub 2} retention capacity (CRC) was registered Cu/SBA-16 and Fe/SBA-16. This was accompanied by a significant improvement of the affinity towards hydrogen, as supported by hydrogen adsorption tests. This was explained in terms of strong hydrogen interaction with MNP and lattice oxygen atoms. The results reported herein open new prospects for SBA-16 as potential adsorbents for hydrogen storage.

Effect of Hydrogen Adsorption on the Stone-Wales Transformation in Small-Diameter Carbon Nanotubes

Science.gov (United States)

Openov, L. A.; Podlivaev, A. I.

2018-04-01

The effect of hydrogenation of (4, 0) and (3, 0) carbon nanotubes on the Stone-Wales transformation is studied in the framework of the nonorthogonal tight-binding model. It is shown that the atomic hydrogen adsorption can lead to both a decrease and an increase in the barriers for the direct and inverse transformations depending on the orientation of a rotating C-C bond with respect to the nanotube axis. The characteristic times of formation and annealing the Stone-Wales defects have been estimated. The Young's moduli have been calculated.

Prediction of hydrogen storage on Y-decorated graphene: A density functional theory study

International Nuclear Information System (INIS)

Liu, Wenbo; Liu, Yang; Wang, Rongguo

2014-01-01

Highlight: • Rare earth metal Y has an excellent performance on hydrogen storage. • After decoration, each Y can attach six hydrogen molecules without dissociation. • The Y atoms disperse uniformly and stably on B/graphene. • The enhancement of H binding is caused by hybridization and electrostatic attraction. - Abstract: Yttrium decorated graphene has been investigated as a potential carrier for high density hydrogen storage. The adsorption energy and optimized geometry for yttrium on pristine and boron doped graphene have been studied by DFT calculations. The clustering and stability of isolated yttrium atoms on graphene has also been considered. For yttrium decorated boron doped graphene, each yttrium can attach six hydrogen molecules with average adsorption energy of −0.568 eV per hydrogen molecule and the hydrogen storage capacity of this material is 5.78 wt.%, indicating yttrium decorated boron doped graphene as a promising hydrogen storage candidate

Modification of cyanobacterial bloom-derived biomass using potassium permanganate enhanced the removal of microcystins and adsorption capacity toward cadmium (II)

International Nuclear Information System (INIS)

Shao, Jihai; Gu, Ji-Dong; Peng, Liang; Luo, Si; Luo, Huili; Yan, Zhiyong; Wu, Genyi

2014-01-01

Highlights: • Potassium permanganate removed microcystins in the cyanobacterial bloom-derived biomass (CBDB). • Potassium permanganate oxidation caused the transformation of hydroxyl to carboxyl on the CBDB. • Manganese dioxide was formed on the surface of CBDB. • Potassium permanganate oxidation process increased the adsorption capacity of CBDB toward Cd(II). - Abstract: Cyanobacterial biomass shows high adsorption capacity toward heavy metal ions. However, the cyanotoxins in the cyanobacterial biomass inhibit its application in heavy metals removal. In order to safely and effectively remove Cd(II) from water using cyanobacterial bloom-derived biomass (CBDB), KMnO 4 was used to modify CBDB. The results indicated that the microcystins in the CBDB were successfully removed by KMnO 4 . Potassium permanganate oxidation caused the transformation of hydroxyl to carboxyl on the CBDB, and formed manganese dioxide on the surface of CBDB. The oxidized CBDB showed higher adsorption capacity toward Cd(II) than that of unoxidized treatment. The optimal KMnO 4 concentration for increasing the adsorption capacity of CBDB toward Cd(II) was 0.2 g/L. The adsorption isotherm of Cd(II) by oxidized- or unoxidized-CBDB was well fitted by Langmuir model, indicating that the adsorption of Cd(II) by CBDB was monolayer adsorption. The desorption ratio of Cd(II) from oxidized CBDB was higher than that from unoxidized CBDB in the desorption process using NH 4 NO 3 and EDTA as desorbent. The results presented in this study suggest that KMnO 4 modified CBDB may be used as a safe and high efficient adsorbent in Cd(II) removal from water

Activity of iridium-ruthenium and iridium-rhodium adsorption catalysts in decomposition of hydrogen peroxide

Energy Technology Data Exchange (ETDEWEB)

Zubovich, I A; Mikhaylov, V A; Migulina, N N [Yaroslavskij Politekhnicheskij Inst. (USSR)

1976-06-01

Experimental data for the activities of iridium-ruthenium and iridium-rhodium adsorption catalysts in the decomposition of hydrogen peroxide are considered and the results of magnetic susceptibility measurements are presented. It is concluded that surface structures (complexes) may be formed and that micro-electronic feaures play a role in heterogeneous catalysis.

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene.

Science.gov (United States)

Iyikanat, Fadil; Kandemir, Ali; Bacaksiz, Cihan; Sahin, Hasan

2017-01-01

Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

A study on metal organic framework (MOF-177) synthesis, characterization and hydrogen adsorption -desorption cycles

Energy Technology Data Exchange (ETDEWEB)

Viditha, V.; Venkateswer Rao, M.; Srilatha, K.; Himabindu, V. [Centre for Environment, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500 085, A.P. (India); Yerramilli, Anjaneyulu [Director, TLGVRC, JSU Box 18739, JSU, Jackson, MS 32917-0939 (United States)

2013-07-01

Hydrogen has long been considered to be an ideal alternative to fossil-fuel systems and much work has now been done on its storage. There are four main methods of hydrogen storage: as a liquid; as compressed hydrogen; in the form of metal hydrides; and by physisorption. Among all the materials metal organic frameworks (MOFs) are considered to have desirable properties like high porosity, pore volume and high thermal stability. MOF-177 is considered to be an ideal storage material. In this paper we study about its synthesis and hydrogen storage capacities of MOF-177 at different pressures ranging from 25, 50, 75 and 100 bar respectively. The obtained samples are characterized by XRD, BET and SEM. The recorded results show that the obtained hydrogen capacity is 1.1, 2.20, 2.4 and 2.80 wt%. The desorption capacity is 0.9, 2.1, 2.37 and 2.7 wt% at certain temperatures like 373 K.

Kinetics and the mass transfer mechanism of hydrogen sulfide removal by biochar derived from rice hull.

Science.gov (United States)

Shang, Guofeng; Liu, Liang; Chen, Ping; Shen, Guoqing; Li, Qiwu

2016-05-01

The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperature has great influence on the adsorption of H2S. At the different pyrolysis temperature, the H2S removal efficiency of rice hull-derived biochar was different. The adsorption capacities of biochar were 2.09 mg·g(-1), 2.65 mg·g(-1), 16.30 mg·g(-1), 20.80 mg·g(-1), and 382.70 mg·g(-1), which their pyrolysis temperatures were 100 °C, 200 °C, 300 °C, 400 °C and 500 °C respectively. Based on the Yoon-Nelson model, it analyzed the mass transfer mechanism of hydrogen sulfide adsorption by biochar. The paper focuses on the biochar derived from rice hull-removed hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperatures have great influence on the adsorption of H2S. At the different pyrolysis temperatures, the H2S removal efficiency of rice hull-derived biohar was different. The adsorption capacities of biochar were 2.09, 2.65, 16.30, 20.80, and 382.70 mg·g(-1), and their pyrolysis temperatures were 100, 200, 300, 400, and 500 °C, respectively. Based on the Yoon-Nelson model, the mass transfer mechanism of hydrogen sulfide adsorption by biochar was analyzed.

An enhanced hydrogen adsorption enthalpy for fluoride intercalated graphite compounds.

Science.gov (United States)

Cheng, Hansong; Sha, Xianwei; Chen, Liang; Cooper, Alan C; Foo, Maw-Lin; Lau, Garret C; Bailey, Wade H; Pez, Guido P

2009-12-16

We present a combined theoretical and experimental study on H(2) physisorption in partially fluorinated graphite. This material, first predicted computationally using ab initio molecular dynamics simulation and subsequently synthesized and characterized experimentally, represents a novel class of "acceptor type" graphite intercalated compounds that exhibit significantly higher isosteric heat of adsorption for H(2) at near ambient temperatures than previously demonstrated for commonly available porous carbon-based materials. The unusually strong interaction arises from the semi-ionic nature of the C-F bonds. Although a high H(2) storage capacity (>4 wt %) at room temperature is predicted not to be feasible due to the low heat of adsorption, enhanced storage properties can be envisaged by doping the graphitic host with appropriate species to promote higher levels of charge transfer from graphene to F(-) anions.

The effects of nanoscale geometry and spillover on room temperature storage of hydrogen on silica nanosprings

International Nuclear Information System (INIS)

Corti, Giancarlo; Zhan, Yingqian; Wang, Lidong; Hare, Brian; Cantrell, Timothy; II, Miles Beaux; Prakash, Tej; Ytreberg, F Marty; McIlroy, David N; Miller, Michael A

2013-01-01

Silica nanosprings (NSs) consisting of multiple nanowires intertwined were demonstrated to reversibly store 0.85 wt% hydrogen at 20 bar and room temperature. X-ray photoelectron spectroscopy indicates a mixed 3 + –4 + ionization state of the silicon atoms and partially explains the enhanced surface adsorption of H 2 relative to other forms of silica. Theoretical modeling and simulation using a Lennard-Jones potential demonstrated that interstitial sites between the silica nanowires forming the NS are energetically more favorable adsorption sites relative to single nanowires. The addition of Pd nanoparticles to the surface of the silica NSs was demonstrated to increase the hydrogen storage capacity to ≈3.5 wt% at 66 bar and room temperature. Palladium-nanoparticle-induced hydrogen spillover is attributed to the enhanced storage capacity relative to bare silica NSs. (paper)

Chloride Ion Adsorption Capacity of Anion Exchange Resin in Cement Mortar

Directory of Open Access Journals (Sweden)

Yunsu Lee

2018-04-01

Full Text Available This paper presents the effect of anion exchange resin (AER on the adsorption of chloride ions in cement mortar. The kinetic and equilibrium behaviors of AER were investigated in distilled water and Ca(OH2 saturated solutions, and then the adsorption of chloride ions by the AER in the mortar specimen was determined. The AER was used as a partial replacement for sand in the mortar specimen. The mortar specimen was coated with epoxy, except for an exposed surface, and then immersed in a NaCl solution for 140 days. The chloride content in the mortar specimen was characterized by energy dispersive X-ray fluorescence analysis and electron probe microanalysis. The results showed that the AER could adsorb the chloride ions from the solution rapidly but had a relatively low performance when the pH of its surrounding environment increased. When the AER was mixed in the cement mortar, its chloride content was higher than that of the cement matrix around it, which confirms the chloride ion adsorption capacity of the AER.

Novel alternating polymer adsorption/surface activation self-assembled film based on hydrogen bond

Energy Technology Data Exchange (ETDEWEB)

Zhang Yongjun; Yang Shuguang; Guan Ying; Miao Xiaopeng; Cao Weixiao; Xu Jian

2003-08-01

By combining hydrogen bonding layer-by-layer self-assembly and the stepwise chemisorption method, a new alternating polymer adsorption/surface activation self-assembly method was developed. First a layer of diphenylamine-4-diazonium-formaldehyde resin (diazo resin or DR) is deposited on a substrate. In the following surface activation step, the diazonium groups on the surface couple with resorcin in the outside solution. The deposition of another layer of DR is feasible due to the formation of hydrogen bond between the diazonium group of DR and the hydroxy group of the resorcin moieties. The resulting film is photosensitive. After UV irradiation, the film becomes very stable towards polar organic solvents.

Enhanced reactive adsorption of hydrogen sulfide on the composites of graphene/graphite oxide with copper (hydr)oxychlorides.

Science.gov (United States)

Mabayoje, Oluwaniyi; Seredych, Mykola; Bandosz, Teresa J

2012-06-27

Composites of copper (hydr)oxychlorides with graphite oxide or graphene were synthesized and used as adsorbents of hydrogen sulfide at dynamic conditions at ambient temperatures. The materials were extensively characterized before and after adsorption in order to link their performance to the surface features. X-ray diffraction, FTIR, thermal analysis, TEM, SEM/EDX, and adsorption of nitrogen were used. It was found that the composite with graphene has the most favorable surface features enhancing reactive adsorption of hydrogen sulfide. The presence of moisture in the H2S stream has a positive effect on the removal process owing to the dissociation process. H2S is retained on the surface via a direct replacement of OH groups and via acid-base reactions with the copper (hydr)oxide. Highly dispersed reduced copper species on the surface of the composite with graphene enhance activation of oxygen and cause formation of sulfites and sulfates. Higher conductivity of the graphene phase than that of graphite oxide helps in electron transfer in redox reactions.

A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface

NARCIS (Netherlands)

Boateng, Isaac W.; Tia, Richard; Adei, Evans; Dzade, N.Y.; Catlow, C. Richard A.; de Leeuw, Nora H.

2017-01-01

The ABO3 perovskite lanthanum ferrite (LaFeO3) is a technologically important electrode material for nickel–metal hydride batteries, energy storage and catalysis. However, the electrochemical hydrogen adsorption mechanism on LaFeO3 surfaces remains under debate. In the present study, we have

Modification of cyanobacterial bloom-derived biomass using potassium permanganate enhanced the removal of microcystins and adsorption capacity toward cadmium (II)

Energy Technology Data Exchange (ETDEWEB)

Shao, Jihai [College of Resources and Environment, Hunan Agricultural University, Changsha 410128 (China); Hunan Provincial Key Laboratory of Farmland Pollution Control and Agricultural Resources Use, Hunan Agricultural University, Changsha 410128 (China); Gu, Ji-Dong [Hunan Provincial Key Laboratory of Farmland Pollution Control and Agricultural Resources Use, Hunan Agricultural University, Changsha 410128 (China); Laboratory of Environmental Microbiology and Toxicology, School of Biological Sciences, The University of Hong Kong, Hong Kong Special Administrative Region (Hong Kong); Peng, Liang; Luo, Si; Luo, Huili [College of Resources and Environment, Hunan Agricultural University, Changsha 410128 (China); Yan, Zhiyong, E-mail: zhyyan111@163.com [College of Resources and Environment, Hunan Agricultural University, Changsha 410128 (China); Wu, Genyi, E-mail: wugenyi99@163.com [College of Resources and Environment, Hunan Agricultural University, Changsha 410128 (China)

2014-05-01

Highlights: • Potassium permanganate removed microcystins in the cyanobacterial bloom-derived biomass (CBDB). • Potassium permanganate oxidation caused the transformation of hydroxyl to carboxyl on the CBDB. • Manganese dioxide was formed on the surface of CBDB. • Potassium permanganate oxidation process increased the adsorption capacity of CBDB toward Cd(II). - Abstract: Cyanobacterial biomass shows high adsorption capacity toward heavy metal ions. However, the cyanotoxins in the cyanobacterial biomass inhibit its application in heavy metals removal. In order to safely and effectively remove Cd(II) from water using cyanobacterial bloom-derived biomass (CBDB), KMnO{sub 4} was used to modify CBDB. The results indicated that the microcystins in the CBDB were successfully removed by KMnO{sub 4}. Potassium permanganate oxidation caused the transformation of hydroxyl to carboxyl on the CBDB, and formed manganese dioxide on the surface of CBDB. The oxidized CBDB showed higher adsorption capacity toward Cd(II) than that of unoxidized treatment. The optimal KMnO{sub 4} concentration for increasing the adsorption capacity of CBDB toward Cd(II) was 0.2 g/L. The adsorption isotherm of Cd(II) by oxidized- or unoxidized-CBDB was well fitted by Langmuir model, indicating that the adsorption of Cd(II) by CBDB was monolayer adsorption. The desorption ratio of Cd(II) from oxidized CBDB was higher than that from unoxidized CBDB in the desorption process using NH{sub 4}NO{sub 3} and EDTA as desorbent. The results presented in this study suggest that KMnO{sub 4} modified CBDB may be used as a safe and high efficient adsorbent in Cd(II) removal from water.

EFFECT OF DIATOMEAOUS EARTH TREATMENT USING HYDROGEN CHLORIDE AND SULFURIC ACID ON KINETICS OF CADMIUM(II ADSORPTION

Directory of Open Access Journals (Sweden)

Nuryono Nuryono

2010-06-01

Full Text Available In this research, treatment of diatomaceous earth, Sangiran, Central Java using hydrogen chloride (HCl and sulfuric acid (H2SO4 on kinetics of Cd(II adsorption in aqueous solution has been carried out. The work was conducted by mixing an amount of grounded diatomaceous earth (200 mesh in size with HCl or H2SO4 solution in various concentrations for two hours at temperature range of 100 - 150oC. The mixture was then filtered and washed with water until the filtrate pH is approximately 7 and then the residue was dried for four hours at a temperature of 70oC. The product was used as an adsorbent to adsorb Cd(II in aqueous solution with various concentrations. The Cd(II adsorbed was determined by analyzing the rest of Cd(II in the solution using atomic absorption spectrophotometry. The effect of treatment was evaluated from kinetic parameter of adsorption rate constant calculated based on the simple kinetic model. Results showed  that before equilibrium condition reached, adsorpstion of Cd(II occurred through two steps, i.e. a step tends to follow a reaction of irreversible first order  (step I followed by reaction of reversible first order (step II. Treatment with acids, either hydrogen chloride or sulfuric acid, decreased adsorption rate constant for the step I from 15.2/min to a range of 6.4 - 9.4/min.  However, increasing concentration of acid (in a range of concentration investigated did not give significant and constant change of adsorption rate constant. For step II process,  adsorption involved physical interaction with the sufficient low adsorption energy (in a range of 311.3 - 1001 J/mol.     Keywords: adsorption, cdmium, diatomaceous earth, kinetics.

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

Directory of Open Access Journals (Sweden)

Fadil Iyikanat

2017-08-01

Full Text Available Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111 surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

Protein Adsorption in Three Dimensions

Science.gov (United States)

Vogler, Erwin A.

2011-01-01

initially-adsorbed protein. Interphase protein concentration CI increases as VI decreases, resulting in slow reduction in interfacial energetics. Steady-state is governed by a net partition coefficient P=(/CBCI). In the process of occupying space within the interphase, adsorbing protein molecules must displace an equivalent volume of interphase water. Interphase water is itself associated with surface-bound water through a network of transient hydrogen bonds. Displacement of interphase water thus requires an amount of energy that depends on the adsorbent surface chemistry/energy. This “adsorption-dehydration” step is the significant free-energy cost of adsorption that controls the maximum amount of protein that can be adsorbed at steady state to a unit adsorbent-surface area (the adsorbent capacity). As adsorbent hydrophilicity increases, protein adsorption monotonically decreases because the energetic cost of surface dehydration increases, ultimately leading to no protein adsorption near an adsorbent water wettability (surface energy) characterized by a water contact angle θ → 65°. Consequently, protein does not adsorb (accumulate at interphase concentrations greater than bulk solution) to more hydrophilic adsorbents exhibiting θ protein/surface interactions can be highly favorable, causing protein to adsorb in multilayers in a relatively thick interphase. A straightforward, three-component free energy relationship captures salient features of protein adsorption to all surfaces predicting that the overall free energy of protein adsorption ΔGadso is a relatively small multiple of thermal energy for any surface chemistry (except perhaps for bioengineered surfaces bearing specific ligands for adsorbing protein) because a surface chemistry that interacts chemically with proteins must also interact with water through hydrogen bonding. In this way, water moderates protein adsorption to any surface by competing with adsorbing protein molecules. This Leading Opinion ends

Construction of horizontal stratum landform-like composite foams and their methyl orange adsorption capacity

International Nuclear Information System (INIS)

Chen, Jiajia; Shi, Xiaowen; Zhan, Yingfei; Qiu, Xiaodan; Du, Yumin; Deng, Hongbing

2017-01-01

Highlights: • CS/REC/CNTs composite foams were prepared by unidirectional freeze-casting. • Horizontal stratum landform-like structure was successful built up in foam. • The addition of REC and CNTs promoted the mechanical properties of foam. • The introduction of REC and CNTs enhanced the adsorption capacity of foam on dye. - Abstract: Chitosan (CS)/rectorite (REC)/carbon nanotubes (CNTs) composite foams with good mechanical properties were successfully fabricated by unidirectional freeze-casting technique. The morphology of the foam showed the well-ordered porous three-dimensional layers and horizontal stratum landform-like structure. The holes on the layers looked like the wings of butterfly. Additionally, the X-ray photoelectron spectroscopy and energy-dispersive X-ray spectroscopy results indicated the successful addition of CNTs and REC. The intercalated REC with CS chains was confirmed by small-angle X-ray diffraction. The surface structure of the foams was also analyzed by Raman spectroscopy. The adsorption experiments showed that when the mass ratio of CS to REC was 10:1 and CNTs content was 20%, the composite foam performed best in adsorbing low concentration methyl orange, and the largest adsorption capacity was 41.65 mg/g.

Construction of horizontal stratum landform-like composite foams and their methyl orange adsorption capacity

Energy Technology Data Exchange (ETDEWEB)

Chen, Jiajia; Shi, Xiaowen; Zhan, Yingfei; Qiu, Xiaodan; Du, Yumin; Deng, Hongbing, E-mail: hbdeng@whu.edu.cn

2017-03-01

Highlights: • CS/REC/CNTs composite foams were prepared by unidirectional freeze-casting. • Horizontal stratum landform-like structure was successful built up in foam. • The addition of REC and CNTs promoted the mechanical properties of foam. • The introduction of REC and CNTs enhanced the adsorption capacity of foam on dye. - Abstract: Chitosan (CS)/rectorite (REC)/carbon nanotubes (CNTs) composite foams with good mechanical properties were successfully fabricated by unidirectional freeze-casting technique. The morphology of the foam showed the well-ordered porous three-dimensional layers and horizontal stratum landform-like structure. The holes on the layers looked like the wings of butterfly. Additionally, the X-ray photoelectron spectroscopy and energy-dispersive X-ray spectroscopy results indicated the successful addition of CNTs and REC. The intercalated REC with CS chains was confirmed by small-angle X-ray diffraction. The surface structure of the foams was also analyzed by Raman spectroscopy. The adsorption experiments showed that when the mass ratio of CS to REC was 10:1 and CNTs content was 20%, the composite foam performed best in adsorbing low concentration methyl orange, and the largest adsorption capacity was 41.65 mg/g.

The influence of adsorption capacity on enhanced gas absorption in activated carbon slurries

NARCIS (Netherlands)

Holstvoogd, R.D.; van Swaaij, Willibrordus Petrus Maria

1990-01-01

The enhanced absorption of gases in aqueous activated carbbon slurries of fine particles is studied with a non-steady-state absorption model, taking into account the finite adsorption capacity of the carbon particles. It has been found that, for the different gas/activated carbon slurry systems

FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER

Czech Academy of Sciences Publication Activity Database

Nachtigall, Petr; Garrone, E.; Palomino, G. T.; Delgado, M. R.; Nachtigallová, Dana; Areán, C. O.

2006-01-01

Roč. 8, č. 19 (2006), s. 2286-2292 ISSN 1463-9076 R&D Projects: GA MŠk(CZ) LC512; GA ČR(CZ) GA203/06/0324 Grant - others:UIB(ES) MAT-2005-05350; MIUR(IT) FISR2004 Institutional research plan: CEZ:AV0Z40550506 Keywords : adsorption * hydrogen storage * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.892, year: 2006

Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

International Nuclear Information System (INIS)

Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

2011-01-01

The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.

Adsorption of ionizable organic contaminants on multi-walled carbon nanotubes with different oxygen contents

International Nuclear Information System (INIS)

Li Xiaona; Zhao Huimin; Quan Xie; Chen Shuo; Zhang Yaobin; Yu Hongtao

2011-01-01

Multi-walled carbon nanotubes (MWNTs), which are considered to be promising candidates for the adsorption of toxic organics, are released into aqueous environment with their increasing production and application. In this study, the adsorption behaviors of five structurally related ionizable organic contaminants namely perfluorooctane sulfonate (PFOS), perfluorooctanoic acid (PFOA), perfluorooctanesulfonamide (PFOSA), 2,4-dichlorophenoxyacetic acid (2,4-D) and 4-n-nonylphenol (4-NP) onto MWNTs with different oxygen contents (3.84-22.85%) were investigated. The adsorption kinetics was investigated and simulated with pseudo-second-order model. The adsorption isotherms were found to be fitted with Freundlich model and influenced by both the properties of organic chemicals and the oxygen contents of MWNTs. As adsorption capacity decreases dramatically with the increasing of oxygen contents, the MWNTs with the lowest oxygen contents possess the highest adsorption capacity among four MWNTs. For the MWNTs with the oxygen contents of 3.84%, the adsorption affinity related with hydrophobic interaction and π-electron polarizability decreased in the order of 4-NP > PFOSA > PFOS > 2,4-D > PFOA. Furthermore, the adsorption characters of five contaminants were affected by solution pH and solute pK a considering electrostatic repulse force and hydrogen bonding, which showed the adsorption of MWNTs with lower oxygen content is much sensitive to solution chemistry.

Excellent performance of copper based metal organic framework in adsorptive removal of toxic sulfonamide antibiotics from wastewater.

Science.gov (United States)

Azhar, Muhammad Rizwan; Abid, Hussein Rasool; Sun, Hongqi; Periasamy, Vijay; Tadé, Moses O; Wang, Shaobin

2016-09-15

The increasing concerns on toxicity of sulfonamide antibiotics in water require a prompt action to establish efficient wastewater treatment processes for their removal. In this study, adsorptive removal of a model sulfonamide antibiotic, sulfachloropyridazine (SCP), from wastewater is presented for the first time using a metal organic framework (MOF). A high surface area and thermally stable MOF, HKUST-1, was synthesized by a facile method. Batch adsorption studies were systematically carried out using HKUST-1. The high surface area and unsaturated metal sites resulted in a significant adsorption capacity with faster kinetics. Most of the SCP was removed in 15min and the kinetic data were best fitted with the pseudo second order model. Moreover, isothermal data were best fitted with the Langmuir model. The thermodynamic results showed that the adsorption is a spontaneous and endothermic process. The adsorption capacity of HKUST-1 is 384mg/g at 298K which is the highest compared to most of the materials for the antibiotics. The high adsorption capacity is attributed mainly to π-π stacking, hydrogen bonding and electrostatic interactions. Copyright © 2016 Elsevier Inc. All rights reserved.

Amine–mixed oxide hybrid materials for carbon dioxide adsorption from CO2/H2 mixture

Science.gov (United States)

Ravi, Navin; Aishah Anuar, Siti; Yusuf, Nur Yusra Mt; Isahak, Wan Nor Roslam Wan; Shahbudin Masdar, Mohd

2018-05-01

Bio-hydrogen mainly contains hydrogen and high level of carbon dioxide (CO2). High concentration of CO2 lead to a limitation especially in fuel cell application. In this study, the amine-mixed oxide hybrid materials for CO2 separation from bio-hydrogen model (50% CO2:50% H2) have been studied. Fourier-transform infrared spectroscopy (FTIR) and x-ray diffraction (XRD) characterizations showed that the amine–mixed oxide hybrid materials successfully adsorbed CO2 physically with no chemical adsorption evidence. The dry gas of CO2/H2 mixture adsorbed physically on amine–CuO–MgO hybrid material. No carbonates were detected after several times of adsorption, which indicated the good recyclability of adsorbents. The adsorbent system of diethanolamine (DEA)/15% CuO–75% MgO showed the highest CO2 adsorption capacity of 21.2 wt% due to the presence of polar substance on MgO surface, which can adsorb CO2 at ambient condition. The alcohol group of DEA can enhance the CO2 solubility on the adsorbent surface. In the 20% CuO–50% MgO adsorbent system, DEA as amine type showed a high CO2 adsorption of 19.4 wt%. The 10% amine loading system showed that the DEA adsorption system provided high CO2 adsorption. The BET analysis confirmed that a high amine loading contributed to the decrease in CO2 adsorption due to the low surface area of the adsorbent system.

Gas adsorption capacity in an all carbon nanomaterial composed of carbon nanohorns and vertically aligned carbon nanotubes.

Science.gov (United States)

Puthusseri, Divya; Babu, Deepu J; Okeil, Sherif; Schneider, Jörg J

2017-10-04

Whereas vertically aligned carbon nanotubes (VACNTs) typically show a promising adsorption behavior at high pressures, carbon nanohorns (CNHs) exhibit superior gas adsorption properties in the low pressure regime due to their inherent microporosity. These adsorption characteristics are further enhanced when both materials are opened at their tips. The so prepared composite material allows one to investigate the effect of physical entrapment of CO 2 molecules within the specific adsorption sites of VACNTs composed of opened double walled carbon nanotubes (CNTs) and in specific adsorption sites created by spherically aggregated opened single walled carbon nanohorns. Combining 50 wt% of tip opened CNTs with tip opened CNHs increases the CO 2 adsorption capacity of this material by ∼24% at 30 bar and 298 K compared to opened CNHs alone.

Comparative study of carbon nanotubes and granular activated carbon: Physicochemical properties and adsorption capacities.

Science.gov (United States)

Gangupomu, Roja Haritha; Sattler, Melanie L; Ramirez, David

2016-01-25

The overall goal was to determine an optimum pre-treatment condition for carbon nanotubes (CNTs) to facilitate air pollutant adsorption. Various combinations of heat and chemical pre-treatment were explored, and toluene was tested as an example hazardous air pollutant adsorbate. Specific objectives were (1) to characterize raw and pre-treated single-wall (SW) and multi-wall (MW) CNTs and compare their physical/chemical properties to commercially available granular activated carbon (GAC), (2) to determine the adsorption capacities for toluene onto pre-treated CNTs vs. GAC. CNTs were purified via heat-treatment at 400 °C in steam, followed by nitric acid treatment (3N, 5N, 11N, 16N) for 3-12 h to create openings to facilitate adsorption onto interior CNT sites. For SWNT, Raman spectroscopy showed that acid treatment removed impurities up to a point, but amorphous carbon reformed with 10h-6N acid treatment. Surface area of SWNTs with 3 h-3N acid treatment (1347 m(2)/g) was higher than the raw sample (1136 m(2)/g), and their toluene maximum adsorption capacity was comparable to GAC. When bed effluent reached 10% of inlet concentration (breakthrough indicating time for bed cleaning), SWNTs had adsorbed 240 mg/g of toluene, compared to 150 mg/g for GAC. Physical/chemical analyses showed no substantial difference for pre-treated vs. raw MWNTs. Copyright © 2015 Elsevier B.V. All rights reserved.

Nanotube Adsorption for the Capture and Re-liquefaction of Hydrogen Biol-Off During Tanker Transfer Operations, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This proposal discloses an innovative, economically feasible technique to capture and re-liquefy the hydrogen boil-off by using carbon nanotube adsorption prior to...

Hydrogen storage of catalyst-containing activated carbon fibers and effect of surface modification

International Nuclear Information System (INIS)

Ikpyo Hong; Seong Young Lee; Kyung Hee Lee; Sei Min Park

2005-01-01

Introduction: The hydrogen storage capacities of many kind of carbon nano materials have been reported with possibility and improbability. It is reported that specific surface area of carbon nano material has not a close relation to hydrogen storage capacity. This result shows that there is difference between specific surface area measured by isothermal nitrogen adsorption and direct measurement of adsorption with hydrogen and suggests that the carbon material with relatively low specific surface area can have high hydrogen storage capacity when they have effective nano pore. In this study, petroleum based isotropic pitch was hybridized with several kinds of transitional metal base organometallic compound solved with organic solvent and spun by electro-spinning method. The catalyst-dispersed ACFs were prepared and characterized and hydrogen storage capacity was measured. The effect of surface modification of ACFs by physical and chemical treatment was also investigated. Experimental: The isotropic precursor pitch prepared by nitrogen blowing from naphtha cracking bottom oil was hybridized with transitional metal based acetyl acetonates and spun by solvent electro-spinning. Tetrahydrofuran and quinoline were used as solvent with various mixing ratio. High voltage DC power generator which could adjust in the range of 0-60000 V and 2 mA maximum current was used to supply electrostatic force. At the solvent electro-spinning, solvent mixing ratio and pitch concentration, voltage and spinning distance were varied and their influences were investigated. The catalyst-dispersed electro-spun pitch fibers were thermal stabilized, carbonized and activated by conventional heat treatment for activated carbon fiber. Prepared fibers were observed by high resolution SEM and pore properties were characterized by Micromeritics ASAP2020 model physi-sorption analyzer. Hydrogen storage capacities were measured by equipment modified from Thermo Cahn TherMax 500 model high pressure

Improved synthesis and hydrogen storage of a microporous metal-organic framework material

International Nuclear Information System (INIS)

Cheng Shaojuan; Liu Shaobing; Zhao Qiang; Li Jinping

2009-01-01

A microporous metal-organic framework MOF-5 [Zn 4 O(BDC) 3 , BDC = 1,4-benzenedicarboxylic] was synthesized with and without H 2 O 2 by improved methods based on the previous studies. The obtained materials were characterized by X-ray diffraction, scanning electron microscopy and nitrogen adsorption, and their hydrogen storage capacities were measured. The synthesis experiments showed that H 2 O 2 favored the growth of high quality sample, large pore volume and high specific surface area. The measurements of hydrogen storage indicated that the sample with higher specific surface area and large pore volume showed better hydrogen storage behavior than other samples. It was suggested that specific surface area and pore volume influenced the capacity of hydrogen storage for MOF-5 material.

H_{2} adsorption on multiwalled carbon nanotubes at low temperatures and low pressures

Directory of Open Access Journals (Sweden)

F. Xu

2008-11-01

Full Text Available We present an experimental study on H_{2} adsorption on multiwalled carbon nanotubes (MWCNTs at low temperatures (12–30 K and low pressures (2×10^{-5}  Torr using the temperature programmed desorption technique. Our results show that the molecular hydrogen uptake increases nearly exponentially from 6×10^{-9}  wt. % at 24.5 K to 2×10^{-7}  wt. % at 12.5 K and that the desorption kinetics is of the first order. Comparative measurements indicate that MWCNTs have an adsorption capacity about two orders higher than that of activated carbon (charcoal making them a possible candidate as hydrogen cryosorber for eventual applications in accelerators and synchrotrons.

Correlations and adsorption mechanisms of aromatic compounds on a high heat temperature treated bamboo biochar

International Nuclear Information System (INIS)

Yang, Kun; Yang, Jingjing; Jiang, Yuan; Wu, Wenhao; Lin, Daohui

2016-01-01

Adsorption of aromatic compounds, including polycyclic aromatic hydrocarbons, nitrobenzenes, phenols, and anilines, on a bamboo biochar produced at 700 °C (Ba700) was investigated with the mechanism discussion by isotherm fitting using the Polanyi-theory based Dubinin–Ashtakhov (DA) model. Correlations of adsorption capacity (Q 0 ) of organic compounds with their molecular sizes and melting points, as well as correlations of adsorption affinity (E) with their solvatochromic parameters (i.e., π* and α m ), on the biochar, were developed and indicating that adsorption is captured by the pore filling mechanism and derived from the hydrophobic effects of organic compounds and the forming of π-π electron donor-acceptor (EDA) interactions and hydrogen bonding interactions of organic molecules with surface sites of the biochar. The effects of organic molecular sizes and melting points on adsorption capacity are ascribed to the molecular sieving effect and the packing efficiency of the organic molecules in the biochar pores, respectively. These correlations can be used to quantitatively estimate the adsorption of organic compounds on biochars from their commonly physicochemical properties including solvatochromic parameters, melting points and molecular cross-sectional area. The prediction using these correlations is important for assessing the unknown adsorption behaviors of new organic compounds and also helpful to guide the surface modification of biochars and make targeted selection in the environmental applications of biochars as adsorbents. - Highlights: • Adsorption of organic chemicals on biochars are captured by pore filling mechanism. • Adsorption is derived from Van der Waals force, π-π EDA and H-bonding interactions. • Adsorption capacity is negatively correlated with organic molecular sizes/melting points. • Adsorption capacity is restricted by molecular sieving effect and packing efficiency. • Adsorption affinity has a LSER with chemical

Preparation and properties of chitosan-metal complex: Some factors influencing the adsorption capacity for dyes in aqueous solution.

Science.gov (United States)

Rashid, Sadia; Shen, Chensi; Yang, Jing; Liu, Jianshe; Li, Jing

2018-04-01

Chitosan-metal complexes have been widely studied in wastewater treatment, but there are still various factors in complex preparation which are collectively responsible for improving the adsorption capacity need to be further studied. Thus, this study investigates the factors affecting the adsorption ability of chitosan-metal complex adsorbents, including various kinds of metal centers, different metal salts and crosslinking degree. The results show that the chitosan-Fe(III) complex prepared by sulfate salts exhibited the best adsorption efficiency (100%) for various dyes in very short time duration (10min), and its maximum adsorption capacity achieved 349.22mg/g. The anion of the metal salt which was used in preparation played an important role to enhance the adsorption ability of chitosan-metal complex. SO 4 2- ions not only had the effect of crosslinking through electrostatic interaction with amine group of chitosan polymer, but also could facilitate the chelation of metal ions with chitosan polymer during the synthesis process. Additionally, the pH sensitivity and the sensitivity of ionic environment for chitosan-metal complex were analyzed. We hope that these factors affecting the adsorption of the chitosan-metal complex can help not only in optimizing its use but also in designing new chitosan-metal based complexes. Copyright © 2017. Published by Elsevier B.V.

Rapid and tunable selective adsorption of dyes using thermally oxidized nanodiamond.

Science.gov (United States)

Molavi, Hossein; Shojaei, Akbar; Pourghaderi, Alireza

2018-03-27

In the present study, capability of nanodiamond (ND) for the adsorption of anionic (methyl orange, MO) and cationic (methylene blue, MB) dyes from aqueous solution was investigated. Employing fourier transform infrared (FTIR) spectroscopy, Boehm titration method and zeta potential, it was found that the simple thermal oxidation of ND at 425 °C, increased the content of carboxylic acid of ND and accordingly the zeta potential of ND decreased considerably. Therefore, a series of oxidized NDs (OND) at various oxidation times and as-received untreated ND (UND) was used as adsorbents of MO and MB. The adsorption experiments exhibited that UND had large adsorption capacity, very fast adsorption kinetics and excellent selectivity for MO over MB. These results suggested that the adsorption tendency of UND toward anionic MO dye followed not only by electrostatic interactions but also via the chemical interaction caused by the strong hydrogen bond between the sulfonate groups of MO and the oxygen containing groups on the surface of UND. In contrast, ONDs exhibited higher adsorption capacity for cationic MB whose tendency toward MB increased by increasing the thermal oxidation time due to the promotion of the negative charge on the surface of OND leading to the higher electrostatic attraction. The adsorption rate of MB on ONDs was also very high. Kinetics data was well fitted with the pseudo- second-order model for most of the adsorbents. The adsorption selectivity analysis revealed that ONDs displayed more adsorption capacity for MB compared with MO which was also attributed to high electrostatic interactions of cationic dye with negative charges of ONDs. Finally, the release behavior of NDs was also demonstrated after soaking in ethanol and acetone. Copyright © 2018 Elsevier Inc. All rights reserved.

Foam-based adsorbents having high adsorption capacities for recovering dissolved metals and methods thereof

Science.gov (United States)

Janke, Christopher J.; Dai, Sheng; Oyola, Yatsandra

2015-06-02

Foam-based adsorbents and a related method of manufacture are provided. The foam-based adsorbents include polymer foam with grafted side chains and an increased surface area per unit weight to increase the adsorption of dissolved metals, for example uranium, from aqueous solutions. A method for forming the foam-based adsorbents includes irradiating polymer foam, grafting with polymerizable reactive monomers, reacting with hydroxylamine, and conditioning with an alkaline solution. Foam-based adsorbents formed according to the present method demonstrated a significantly improved uranium adsorption capacity per unit weight over existing adsorbents.

Molecular adsorption of hydrogen peroxide on N- and Fe-doped titania nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Mohajeri, Afshan, E-mail: amohajeri@shirazu.ac.ir; Dashti, Nasimeh Lari

2017-06-15

Highlights: • The stability and electronic properties of N/Fe-doped (TiO{sub 2}){sub n} clusters with n = 5,6 were studied. • The adsorption H{sub 2}O{sub 2} on the surface of doped clusters has been investigated. • This is the first report of H{sub 2}O{sub 2} adsorption onto the (TiO{sub 2}){sub n} cluster in the presence of metal and non-metal dopants. • The effect of N and Fe dopants on interaction strength was studied. - Abstract: Titanium dioxide (titania) nanoparticles have been extensively investigated for photocatalytic applications such as the decomposition and adsorption of pollutant and undesirable compound in air and waste water. In this context, the present article reports the molecular adsorption of hydrogen peroxide on the surface of doped titania clusters. Density functional theory calculations were performed to investigate the structures and electronic properties of two nanoscale (TiO{sub 2}){sub n} clusters (n = 5,6) modified by nitrogen and iron dopants. The relative stability of all possible N-doped and Fe-doped isomers has been compared with each other and with the parent cluster. It was found that the Fe-doped clusters are in general more stable than the N-doped counterparts. Moreover, after N/Fe doping an enhanced in the magnetization of the clusters is observed. In the second part, we have investigated different modes of H{sub 2}O{sub 2} adsorption on the lowest-energy isomers of doped clusters. In almost all the cases, the adsorptions on the doped clusters are found to be less exothermic than on the corresponding undoped parent cluster. Our results highlight the essential role of charge transfer into the interaction between H{sub 2}O{sub 2} and doped (TiO{sub 2}){sub n} clusters, especially for Fe-doped clusters.

The potential of organic polymer-based hydrogen storage materials.

Science.gov (United States)

Budd, Peter M; Butler, Anna; Selbie, James; Mahmood, Khalid; McKeown, Neil B; Ghanem, Bader; Msayib, Kadhum; Book, David; Walton, Allan

2007-04-21

The challenge of storing hydrogen at high volumetric and gravimetric density for automotive applications has prompted investigations into the potential of cryo-adsorption on the internal surface area of microporous organic polymers. A range of Polymers of Intrinsic Microporosity (PIMs) has been studied, the best PIM to date (a network-PIM incorporating a triptycene subunit) taking up 2.7% H(2) by mass at 10 bar/77 K. HyperCrosslinked Polymers (HCPs) also show promising performance as H(2) storage materials, particularly at pressures >10 bar. The N(2) and H(2) adsorption behaviour at 77 K of six PIMs and a HCP are compared. Surface areas based on Langmuir plots of H(2) adsorption at high pressure are shown to provide a useful guide to hydrogen capacity, but Langmuir plots based on low pressure data underestimate the potential H(2) uptake. The micropore distribution influences the form of the H(2) isotherm, a higher concentration of ultramicropores (pore size <0.7 nm) being associated with enhanced low pressure adsorption.

Enhanced adsorption of hydroxyl contained/anionic dyes on non functionalized Ni@SiO{sub 2} core–shell nanoparticles: Kinetic and thermodynamic profile

Energy Technology Data Exchange (ETDEWEB)

Jiang, Zhifeng, E-mail: ntjiangzf@sina.com; Xie, Jimin, E-mail: xiejm391@sohu.com; Jiang, Deli, E-mail: jiangdeli100@yahoo.com; Yan, Zaoxue, E-mail: yanzaoxue@163.com; Jing, Junjie, E-mail: jingjj1975@163.com; Liu, Dong, E-mail: 919457966@qq.com

2014-02-15

A green and low-cost adsorbent with both magnetic property and high adsorption capacity was prepared on the basis of nickel magnetic core with silica shell. The surface of the prepared Ni@SiO{sub 2} composite was not modified. The influence of different functional groups and different charged of the dyes on the adsorption process on the non functionalized Ni@SiO{sub 2} have been studied. The results indicated that synthesized adsorbent exhibited higher adsorption capacity for dyes with negative charge/hydroxyl groups as compared to dyes with positive charge/without hydroxyl groups due to the hydrogen bonding interaction and electrostatic interaction between the adsorbent and dyes. Adsorption kinetics and isotherms experiments were carried out and the results indicated that the adsorption process was fitted by pseudo second order kinetics and Freundlich model. The binding of these dyes with magnetic adsorbent surface mainly involves physical adsorption according to D–R model. Furthermore, the adsorption process is spontaneous and endothermic as studied from adsorption thermodynamics. The value of ΔH° and mean free energy further confirmed that physical adsorption is the major adsorption process. After regeneration, the adsorbent still shows high adsorption capacity even for 4 cycles of desorption–adsorption.

Oil Spill Adsorption Capacity of Activated Carbon Tablets from Corncobs in Simulated Oil-Water Mixture

Directory of Open Access Journals (Sweden)

Rhonalyn V. Maulion

2015-12-01

Full Text Available Oil spill in bodies of water is one of severe environmental problems that is facing all over the country and in the world. Since oil is an integral part of the economy, increasing trend for its demand and transport of has led to a great treat in the surface water. One of the promising techniques in the removal of the oil spills in water bodies is adsorption using activated carbon form waste material such as corn cobs. The purpose of this study is to determine the adsorption capacity of activated carbon tablets derived from corncobs in the removal of oil. The properties of activated carbon produced have a pH of 7.0, bulk density of 0.26 g//cm3 , average pore size of 45nm, particle size of 18% at 60 mesh and 39% at 80 mesh, iodine number of 1370 mg/g and surface area of 1205 g/m2. The amount of bentonite clay as binder (15%,20%,30%, number of ACT (1,2,3 and time of contact(30,60,90 mins has been varied to determine the optimum condition where the activated carbon will have the best adsorption capacity in the removal of oil. Results showed that at 15% binder, 60 mins contact time and 3 tablets of activated carbon is the optimum condition which give a percentage adsorption of 22.82% of oil. Experimental data also showed that a Langmuir isotherm was the best fit isotherm for adsorption of ACT.

Influence of the inherent properties of drinking water treatment residuals on their phosphorus adsorption capacities.

Science.gov (United States)

Bai, Leilei; Wang, Changhui; He, Liansheng; Pei, Yuansheng

2014-12-01

Batch experiments were conducted to investigate the phosphorus (P) adsorption and desorption on five drinking water treatment residuals (WTRs) collected from different regions in China. The physical and chemical characteristics of the five WTRs were determined. Combined with rotated principal component analysis, multiple regression analysis was used to analyze the relationship between the inherent properties of the WTRs and their P adsorption capacities. The results showed that the maximum P adsorption capacities of the five WTRs calculated using the Langmuir isotherm ranged from 4.17 to 8.20mg/g at a pH of 7 and further increased with a decrease in pH. The statistical analysis revealed that a factor related to Al and 200 mmol/L oxalate-extractable Al (Alox) accounted for 36.5% of the variations in the P adsorption. A similar portion (28.5%) was attributed to an integrated factor related to the pH, Fe, 200 mmol/L oxalate-extractable Fe (Feox), surface area and organic matter (OM) of the WTRs. However, factors related to other properties (Ca, P and 5 mmol/L oxalate-extractable Fe and Al) were rejected. In addition, the quantity of P desorption was limited and had a significant negative correlation with the (Feox+Alox) of the WTRs (p<0.05). Overall, WTRs with high contents of Alox, Feox and OM as well as large surface areas were proposed to be the best choice for P adsorption in practical applications. Copyright © 2014. Published by Elsevier B.V.

Ab initio study of hydrogen adsorption on benzenoid linkers in metal-organic framework materials

International Nuclear Information System (INIS)

Gao Yi; Zeng, X C

2007-01-01

We have computed the energies of adsorption of molecular hydrogen on a number of molecular linkers in metal-organic framework solid materials using density functional theory (DFT) and ab initio molecular orbital methods. We find that the hybrid B3LYP (Becke three-parameter Lee-Yang-Parr) DFT method gives a qualitatively incorrect prediction of the hydrogen binding with benzenoid molecular linkers. Both local-density approximation (LDA) and generalized gradient approximation (GGA) DFT methods are inaccurate in predicting the values of hydrogen binding energies, but can give a qualitatively correct prediction of the hydrogen binding. When compared to the more accurate binding-energy results based on the ab initio Moeller-Plesset second-order perturbation (MP2) method, the LDA results may be viewed as an upper limit while the GGA results may be viewed as a lower limit. Since the MP2 calculation is impractical for realistic metal-organic framework systems, the combined LDA and GGA calculations provide a cost-effective way to assess the hydrogen binding capability of these systems

Excess Adsorption Isotherms of Hydrogen on Activated Carbons from Agricultural Waste Materials.

Czech Academy of Sciences Publication Activity Database

Soukup, Karel; Hejtmánek, Vladimír; Cruz, G.J.F.; Jandová, Věra; Šolcová, Olga

2017-01-01

Roč. 40, č. 5 (2017), s. 900-906 ISSN 0930-7516. [International Congress of Chemical and Process Engineering CHISA 2016 and the 19th Conference PRES 2016 /22./. Prague, 27.08.2016-31.08.2016] R&D Projects: GA ČR GA15-14228S Grant - others:NUT(PE) 0722-2014/UNT-R Institutional support: RVO:67985858 Keywords : activated carbon * hydrogen * excess adsorption Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.051, year: 2016

Simulation of oxygen-steam gasification with CO{sub 2} adsorption for hydrogen production from empty fruit bunch

Energy Technology Data Exchange (ETDEWEB)

Ahmad, M.M.; Inayat, A.; Yusup, S.; Sabil, K.M. [Universiti Teknologi Petronas, Bandar Seri Iskandar, Tronoh (Malaysia). Center of Biofuel and Biochemical, Green Technology Mission Oriented Research

2011-07-01

The world is facing a critical situation in which fossil fuel reservoir is depleting while the demand for energy is increasing worldwide. Scientists globally have shifted their effort towards developing alternative sustainable fuels and quite a number of technologies have been discovered. One potential alternative solution is to produce energy from hydrogen as its energy content per kilogram is three times larger than that of gasoline. The combustion of hydrogen produces water instead of greenhouse gases, along with energy, making hydrogen even more attractive as a clean fuel. Current study focuses on the process development of hydrogen production via gasification of Empty Fruit Bunch (EFB) with in-situ adsorption of CO{sub 2} based on equilibrium modeling approach. The process flowsheet simulation is performed using iCON, PETRONAS process simulation software. This work investigates the influence of the temperature within the range of 600 to 1000 C and steam/biomass ratio between 0.1 and 1.0 on the hydrogen yield and product gas composition. The importance of different reactions involved in the system is also discussed. Using the simulation, the optimal operating conditions are predicted to be at 800 C and steam/biomass ratio of 0.6. Hydrogen yield of 149g kg{sup -1} of EFB can be obtained at 1000 C. The preliminary economic potential per annum of the oxygen-steam gasification system coupled with in situ CO{sub 2} adsorption is RM 6.64 x 10{sup 6} or approximately USD 2 x 10{sup 6}.

Synthesis of NiPS3 and CoPS and its hydrogen storage capacity

International Nuclear Information System (INIS)

Ismail, N.; Madian, M.; El-Meligi, A.A.

2014-01-01

Highlights: • Preparation of NiPS 3 and CoPS using solid state reaction. • Characterization of compounds using XRD, TEM, SEM and IR. • Measuring the compounds thermal stability. • Estimation of the hydrogen storage capacity. -- Abstract: Prepared CoPS and NiPS 3 are studied as new materials for hydrogen energy storage. Single phase of CoPS and NiPS 3 were grown separately in evacuated silicatube via solid state reaction at 650 °C with controlled heating rate 1 °C/min. X-ray diffraction patterns confirm the formation of the desired compounds. Both CoPS and NiPS 3 exhibited high thermal stability up to 700 °C and 630 °C, respectively. The morphology of the prepared samples was investigated using scanning electron microscopy and folded sheets appeared in the transmission electron microscopy. The samples were exposed to 20 bar applied hydrogen pressure at 80 K. Both compounds appear to have feasible hydrogen storage capacity. CoPS was capable to adsorb 1.7 wt% while NiPS 3 storage capacity reached 1.2 wt%

Fundamentals of high pressure adsorption

Energy Technology Data Exchange (ETDEWEB)

Zhou, Y.P.; Zhou, L. [Tianjin University, Tianjin (China). High Pressure Adsorption Laboratory

2009-12-15

High-pressure adsorption attracts research interests following the world's attention to alternative fuels, and it exerts essential effect on the study of hydrogen/methane storage and the development of novel materials addressing to the storage. However, theoretical puzzles in high-pressure adsorption hindered the progress of application studies. Therefore, the present paper addresses the major theoretical problems that challenged researchers: i.e., how to model the isotherms with maximum observed in high-pressure adsorption; what is the adsorption mechanism at high pressures; how do we determine the quantity of absolute adsorption based on experimental data. Ideology and methods to tackle these problems are elucidated, which lead to new insights into the nature of high-pressure adsorption and progress in application studies, for example, in modeling multicomponent adsorption, hydrogen storage, natural gas storage, and coalbed methane enrichment, was achieved.

Effect of water on methane adsorption on the kaolinite (0 0 1) surface based on molecular simulations

Science.gov (United States)

Zhang, Bin; Kang, Jianting; Kang, Tianhe

2018-05-01

CH4 adsorption isotherms of kaolinite with moisture contents ranging from 0 to 5 wt% water, the effects of water on maximum adsorption capacity, kaolinite swelling, and radial distribution function were modelled by the implementing combined Monte Carlo (MC) and molecular dynamics (MD) simulations at 293.15 K (20 °C) and a pressure range of 1-20 MPa. The simulation results showed that the absolute adsorption of CH4 on both dry and moist kaolinite followed a Langmuir isotherm within the simulated pressure range, and both the adsorption capacity and the rate of CH4 adsorption decreased with the water content increases. The adsorption isosteric heats of CH4 on kaolinite decreased linearly with increasing water content, indicating that at higher water contents, the interaction energy between the CH4 and kaolinite was weaker. The interaction between kaolinite and water dominates and was the main contributing factor to kaolinite clay swelling. Water molecules were preferentially adsorbed onto oxygen and hydrogen atoms in kaolinite, while methane showed a tendency to be adsorbed only onto oxygen. The simulation results of our study provide the quantitative analysis of effect of water on CH4 adsorption capacity, adsorption rate, and interaction energy from a microscopic perspective. We hope that our study will contribute to the development of strategies for the further exploration of coal bed methane and shale gas.

Safety considerations for continuous hydrogen production test apparatus with capacity of 50 N-litter hydrogen per hour

International Nuclear Information System (INIS)

Onuki, Kaoru; Akino, Norio; Shimizu, Saburo; Nakajima, Hayato; Higashi, Shunichi; Kubo, Shinji

2001-03-01

Since the thermochemical hydrogen production Iodine-Sulfur process decomposes water into hydrogen and oxygen using toxic chemicals such as sulfuric acid, iodine and hydriodic acid, safety considerations are very important in its research and development. Therefore, before construction of continuous hydrogen production test apparatus with capacity of 50 N-litter hydrogen per hour, comprehensive safety considerations were carried out to examine the design and construction works of the test apparatus, and the experimental plans using the apparatus. Emphasis was given on the safety considerations on prevention of breakage of glasswares and presumable abnormalities, accidents and their countermeasures. This report summarizes the results of the considerations. (author)

Hydrogen pumping and release by graphite under high flux plasma bombardment

International Nuclear Information System (INIS)

Hirooka, Y.; Leung, W.K.; Conn, R.W.; Goebel, D.M.; LaBombard, B.; Nygren, R.; Wilson, K.L.

1988-01-01

Inert gas (helium or argon) plasma bombardment has been found to increase the surface gas adsorptivity of isotropic graphite (POCO-graphite), which can then getter residual gases in a high vacuum system. The inert gas plasma bombardment was carried out at a flux ≅ 1 x 10 18 ions s -1 cm -2 to a fluence of the order of 10 21 ions/cm 2 and at temperatures around 800 0 C. The gettering capability of graphite can be easily recovered by repeating inert gas plasma bombardment. The activated graphite surface exhibits a smooth, sponge-like morphology with significantly increased pore openings, which correlates with the observed increase in the surface gas adsorptivity. The activated graphite surface has been observed to pump hydrogen plasma particles as well. From calibrated H-alpha measurements, the dynamic hydrogen retention capacity is evaluated to be as large as 2 x 10 18 H/cm 2 at temperatures below 100 0 C and at a plasma bombarding energy of 300 eV. The graphite temperature was varied between 15 and 480 0 C. Due to the plasma particle pumping capability, hydrogen recycling from the activated graphite surface is significantly reduced, relative to that from a pre-saturated surface. A pre-saturated surface was also observed to reproducibly pump a hydrogen plasma to a concentration of 9.5 x 10 17 H/cm 2 . The hydrogen retention capacity of graphite is found to decrease with increasing temperature. A transient pumping mechanism associated with the sponge-like surface morphology is conjectured to explain the large hydrogen retention capacity. Hydrogen release behavior under helium and argon plasma bombardment was also investigated, and the result indicated the possibility of some in-pore retrapping effect. 43 refs., 11 figs

Multi-functionalized naphthalene complexes for hydrogen storage

International Nuclear Information System (INIS)

Kalamse, Vijayanand; Wadnerkar, Nitin; Chaudhari, Ajay

2013-01-01

A density functional study of hydrogen uptake capacity of multi-functionalized naphthalene with Ti and Li metal atom has been carried out. It is observed that, the naphthalene functionalized with two Ti atoms can interact with total eight hydrogen molecules in which each Ti metal atom interacts with four hydrogen molecules. Naphthalene decorated with two Li atoms can interact with total three H 2 molecules only. First ( 19 Li) and second ( 20 Li) Li atom can interact with only one and two hydrogen molecule respectively. It is observed that, hydrogen molecules bind strongly to the C 10 H 8 Ti 2 complex than C 10 H 8 Li 2 complex. The gravimetric hydrogen uptake capacity of C 10 H 8 Ti 2 and C 10 H 8 Li 2 complex is found to be 6.72 and 3.73 wt% respectively. Moreover, after functionalizing naphthalene with four Li atoms, the uptake capacity is increased to 7.20 wt %. However, the thermochemistry result favors to Ti functionalized naphthalene complex (C 10 H 8 Ti 2 ) for hydrogen storage over Li functionalized naphthalene (both C 10 H 8 Li 2 and C 10 H 8 Li 4 ) complexes. Atom-centered density matrix propagation (ADMP) molecular dynamics simulations have been performed which showed that C 10 H 8 Li 2 and C 10 H 8 Li 4 complex cannot bind single hydrogen molecule at room temperature whereas C 10 H 8 Ti 2 can bind five hydrogen molecules. -- Highlights: ► The gravimetric H 2 uptake capacity of C 10 H 8 Ti 2 complex is 6.72 wt%. ► Uptake capacity of C 10 H 8 Li 2 and C 10 H 8 Li 4 complex is 3.73 and 7.20 wt% respectively. ► C 10 H 8 Ti is more promising material for hydrogen adsorption. ► C 10 H 8 Ti 2 can bind five hydrogen molecules as shown by ADMP-MD results.

Core--strategy leading to high reversible hydrogen storage capacity for NaBH4.

Science.gov (United States)

Christian, Meganne L; Aguey-Zinsou, Kondo-François

2012-09-25

Owing to its high storage capacity (10.8 mass %), sodium borohydride (NaBH(4)) is a promising hydrogen storage material. However, the temperature for hydrogen release is high (>500 °C), and reversibility of the release is unachievable under reasonable conditions. Herein, we demonstrate the potential of a novel strategy leading to high and stable hydrogen absorption/desorption cycling for NaBH(4) under mild pressure conditions (4 MPa). By an antisolvent precipitation method, the size of NaBH(4) particles was restricted to a few nanometers (hydrogen at 400 °C. Further encapsulation of these nanoparticles upon reaction of nickel chloride at their surface allowed the synthesis of a core--shell nanostructure, NaBH(4)@Ni, and this provided a route for (a) the effective nanoconfinement of the melted NaBH(4) core and its dehydrogenation products, and (b) reversibility and fast kinetics owing to short diffusion lengths, the unstable nature of nickel borohydride, and possible modification of reaction paths. Hence at 350 °C, a reversible and steady hydrogen capacity of 5 mass % was achieved for NaBH(4)@Ni; 80% of the hydrogen could be desorbed or absorbed in less than 60 min, and full capacity was reached within 5 h. To the best of our knowledge, this is the first time that such performances have been achieved with NaBH(4). This demonstrates the potential of the strategy in leading to major advancements in the design of effective hydrogen storage materials from pristine borohydrides.

Hydrogen storage in hybrid of layered double hydroxides/reduced graphene oxide using spillover mechanism

International Nuclear Information System (INIS)

Ensafi, Ali A.; Jafari-Asl, Mehdi; Nabiyan, Afshin; Rezaei, Behzad; Dinari, Mohammad

2016-01-01

New efficient hydrogen storage hybrids were fabricated based on hydrogen spillover mechanism, including chemisorptions and dissociation of H_2 on the surface of LDH (layered double hydroxides) and diffusion of H to rGO (reduced graphene oxide). The structures and compositions of all of the hybrids (LDHs/rGO) have been verified using different methods including transmission electron microscopy, X ray diffraction spectroscopy, infrared spectroscopy and Brunauer–Emmett–Teller analysis. Then, the abilities of the LDHs/rGOs, as hydrogen spillover, were investigated by electrochemical methods. In addition, the LDHs/rGOs were decorated with palladium, using redox replacement process, and their hydrogen spillover properties were studied. The results showed that the hydrogen adsorption/desorption kinetics, hydrogen storage capacities and stabilities of Pd"#LDH/rGOs are better than Pd/rGO. Finally presence of different polymers (synthesis with monomers, 4–aminophenol, 4–aminothiophenol, o-phenylenediamine and p-phenylenediamine) at the surface of the Pd#LDH/rGOs on hydrogen storage were studied. The results showed that presence of o-phenylenediamine and p-phenylenediamine improves the kinetics of the hydrogen adsorption/desorption and increase the capacity of the hydrogen storage. - Highlights: • Efficient hydrogen storage sorbents are introduced. • The sorbents are synthesized based on hybrids of layered double hydroxide. • The compositions of all of the hybrids are verified using different methods. • Pd nanoparticles modified nanohybrids are investigated for hydrogen storage. • Presence of different polymers beside the hydrogen sorbents are investigated.

Effects of textural and surface characteristics of microporous activated carbons on the methane adsorption capacity at high pressures

International Nuclear Information System (INIS)

Bastos-Neto, M.; Canabrava, D.V.; Torres, A.E.B.; Rodriguez-Castellon, E.; Jimenez-Lopez, A.; Azevedo, D.C.S.; Cavalcante, C.L.

2007-01-01

The objective of this study is to relate textural and surface characteristics of selected microporous activated carbons to their methane storage capacity. In this work, a magnetic suspension balance (Rubotherm, Germany) was used to measure methane adsorption isotherms of several activated carbon samples. Textural characteristics were assessed by nitrogen adsorption on a regular surface area analyzer (Autosorb-MP, by Quantachrome, USA). N 2 adsorption was analysed by conventional models (BET, DR, HK) and by Monte Carlo molecular simulations. Elemental and surface analyses were performed by X-ray photoelectronic spectroscopy (XPS) for the selected samples. A comparative analysis was then carried out with the purpose of defining some correlation among the variables under study. For the system under study, pore size distribution and micropore volume seem to be a determining factor as long as the solid surface is perfectly hydrophobic. It was concluded that the textural parameters per se do not unequivocally determine natural gas storage capacities. Surface chemistry and methane adsorption equilibria must be taken into account in the decision-making process of choosing an adsorbent for gas storage

Development of a facility for the recovery of high-purity hydrogen from coke oven gas by pressure swing adsorption

Energy Technology Data Exchange (ETDEWEB)

Nakamura, M; Saida, K; Uenoyama, K; Sugishita, M; Imokawa, K

1985-01-01

This paper reports 1) a pressure swing adsorption (PSA) system comprising three towers, each packed with three different adsorbents; and 2) studies of the application of this system to the recovery of high-purity hydrogen from coke oven gas. Running the adsorption plant at 35 C and 9.5 kg/cm/sup 2/ gives optimum operating stability and economy. In addition, an optimum time cycle for the three-tower system has been developed. Gas from the PSA equipment proper still contains traces of oxygen. This is removed in a further tower packed with Pd catalyst. The ultimate recovery of hydrogen is closely related to its concentration in the raw coke oven gas and to the degree of purity attained. 3 references.

A three-site Langmuir adsorption model to elucidate the temperature, pressure, and support dependence of the hydrogen coverage on supported Pt particles

NARCIS (Netherlands)

Ji, Y.; Koot, V.; van der Eerden, A.M.J.; Weckhuysen, B.M.; Koningsberger, D.C.; Ramaker, D.E.

2007-01-01

The three-site adsorption model, previously developed to describe H adsorption on small Pt particles, was used to gain insight into dependence of hydrogen coverage on temperature, pressure, and support ionicity. The three sites, in order of decreasing PtH bond strength, involve H in an atop, a

Effect of carbonation temperature on CO{sub 2} adsorption capacity of CaO derived from micro/nanostructured aragonite CaCO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Hlaing, Nwe Ni, E-mail: nwenihlaing76@gmail.com [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Department of International Development Engineering, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo (Japan); Department of Physics, University of Yangon, 11041 Kamayut, Yangon (Myanmar); Sreekantan, Srimala, E-mail: srimala@usm.my [School of Materials and Mineral Resources Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Hinode, Hirofumi, E-mail: hinode@ide.titech.ac.jp; Kurniawan, Winarto, E-mail: Kurniawan.w.ab@m.titech.ac.jp [Department of International Development Engineering, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo (Japan); Thant, Aye Aye, E-mail: a2thant@gmail.com [Department of Physics, University of Yangon, 11041 Kamayut, Yangon (Myanmar); Othman, Radzali, E-mail: radzali@utem.edu.my [Faculty of Manufacturing Engineering, Universiti Teknikal Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Malacca (Malaysia); Mohamed, Abdul Rahman, E-mail: chrahman@eng.usm.my [Low Carbon Economy (LCE) Research Group, School of Chemical Engineering, Engineering Campus, Universiti Sains Malaysia, 14300 Nibong Tebal, Penang (Malaysia); Salime, Chris, E-mail: chris.salim@surya.ac.id [Environmental Engineering, Surya University, Tangerang, 15810 Banten (Indonesia)

2016-07-06

Recent years, CaO-based synthetic materials have been attracted attention as potential adsorbents for CO{sub 2} capture mainly due to their high CO{sub 2} adsorption capacity. In this study, micro/nanostructured aragonite CaCO{sub 3} was synthesized by a simple hydrothermal method with using polyacrylamide (PAM). The structural, morphological and thermal properties of the synthesized sample were investigated by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM) and thermogravimetry analysis (TG-DTA). The XRD and FESEM results showed that the obtained sample was aragonite CaCO{sub 3} with aggregated nanorods and microspheres composed of nanorods. A TG-DTA apparatus with Thermoplus 2 software was used to investigate the effect of carbonation temperature on the CO{sub 2} adsorption capacity of CaO derived from aragonite CaCO{sub 3} sample. At 300 °C, the sample reached the CO{sub 2} adsorption capacity of 0.098 g-CO{sub 2}/g-adsorbent, whereas the sample achieved the highest capacity of 0.682 g-CO{sub 2}/g-adsorbent at 700 °C. The results showed that the carbonation temperature significantly influenced on the CO{sub 2} adsorption capacity of the CaO derived from aragonite CaCO{sub 3}.

Glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: a molecular simulation study.

Science.gov (United States)

Gupta, Krishna M; Zhang, Kang; Jiang, Jianwen

2015-08-05

A molecular simulation study is reported on glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101. The F atom of MIL-101 is identified to be the most favorable adsorption site. Among three MIL-101-X (X = H, NH2 or CH3), the parent MIL-101 exhibits the highest adsorption capacity and recovery efficacy. Upon functionalization by -NH2 or -CH3 group, the steric hindrance in MIL-101 increases; consequently, the interactions between glucose and framework become less attractive, thus reducing the capacity and mobility of glucose. The presence of ionic liquid, 1-ethyl-3-methyl-imidazolium acetate, as an impurity reduces the strength of hydrogen-bonding between glucose and MIL-101, and leads to lower capacity and mobility. Upon adding anti-solvent (ethanol or acetone), a similar adverse effect is observed. The simulation study provides useful structural and dynamic properties of glucose in MIL-101, and it suggests that MIL-101 might be a potential candidate for glucose recovery.

Effect of degree of deacetylation of chitosan on adsorption capacity and reusability of chitosan/polyvinyl alcohol/TiO2 nano composite.

Science.gov (United States)

Habiba, Umma; Joo, Tan Chin; Siddique, Tawsif A; Salleh, Areisman; Ang, Bee Chin; Afifi, Amalina M

2017-11-01

The chitosan/polyvinyl alcohol/TiO 2 composite was synthesized. Two different degrees of deacetylation of chitosan were prepared by hydrolysis to compare the effectiveness of them. The composite was analyzed via field emission scanning electron microscopy, Fourier transform infrared, X-ray diffraction, thermal gravimetric analysis, weight loss test and adsorption study. The FTIR and XRD results proved the interaction among chitosan, PVA and TiO 2 without any chemical reaction. It was found that, chitosan with higher degree of deacetylation has better stability. Furthermore, it also showed that higher DD of chitosan required less time to reach equilibrium for methyl orange. The adsorption followed the pseudo-second-order kinetic model. The Langmuir and Freundlich isotherm models were fitted well for isotherm study. Adsorption capacity was higher for the composite containing chitosan with higher DD. The dye removal rate was independent of the dye's initial concentration. The adsorption capacity was increased with temperature and it was found from reusability test that the composite containing chitosan with higher DD is more reusable. It was notable that adsorption capacity was even after 15 runs. Therefore, chitosan/PVA/TiO 2 composite can be a very useful material for dye removal. Copyright © 2017 Elsevier B.V. All rights reserved.

Langmuir and Freundlich Isotherm Adsorption Equations for Chromium (VI) Waste Adsorption by Zeolite

International Nuclear Information System (INIS)

Murni Handayani; Eko Sulistiyono

2009-01-01

The research of chromium (VI) waste adsorption by zeolite has done. Wastes which are produced by Industries, both radioactive waste and heavy metal waste need done more processing so that they are not endanger environment and human health. Zeolite has very well-ordered crystal form with cavity each other to way entirely so that cause surface wide of zeolite become very big and very good as adsorbents. This research intends to know appropriate isotherm adsorption method to determine maximum capacity of zeolite to chromium (VI) waste. The equations which used in adsorption process are Langmuir and Freundlich isotherm Adsorption equations. The instrument was used in adsorption process by using Atomic Adsorption Spectroscopy (AAS). The experiment result showed that the biggest mass of chromium (VI) metal ion which was absorb by zeolite in 20 ppm concentration was 7.71 mg/gram zeolite. Adsorption process of Chromium (VI) waste by zeolite followed Langmuir and Freundlich isotherm equations with R 2 >0,9 . Appropriate equation to determine maximum adsorption capacity of zeolite for chromium (VI) waste adsorption is Langmuir equation. The maximum adsorption capacity of zeolite is 52.25 mg/gram. (author)

Alcohol molecules adsorption on graphane nanosheets - A first-principles investigation

Science.gov (United States)

Nagarajan, V.; Chandiramouli, R.

2018-05-01

The geometric structure, electronic and adsorption properties of methanol, ethanol and 1-propanol molecules on hydrogenated graphene (graphane) were investigated using first-principles calculations. The stability of graphane base material is confirmed using formation energy and phonon band structures. The adsorption of alcohol molecules on bare graphane and hydrogen vacant graphane nanosheet is found to be prominent and the selectivity of alcohol molecules can be achieved using bare or hydrogen vacant graphane nanosheet. Moreover, the interaction of alcohol molecules on bare and hydrogen vacant graphane nanosheets is studied using the adsorption energy, energy band gap variation, Bader charge transfer and average energy band gap variation. The adsorption energy ranges from -0.149 to -0.383 eV upon alcohol adsorption. The energy gap varies from 4.71 to 2.62 eV for bare graphane and from 4.02 to 3.60 eV for hydrogen vacant graphane nanosheets upon adsorption of alcohol molecules. The adsorption properties of alcohol molecules provide useful information for the possible application of graphane nanosheet as a base material for the detection of alcohol molecules.

Polanyi Evaluation of Adsorptive Capacities of Commercial Activated Carbons

Science.gov (United States)

Monje, Oscar; Surma, Jan M.

2017-01-01

Commercial activated carbons from Calgon (207C and OVC) and Cabot Norit (RB2 and GCA 48) were evaluated for use in spacecraft trace contaminant control filters. The Polanyi potential plots of the activated carbons were compared using to those of Barnebey-Cheney Type BD, an untreated activated carbon with similar properties as the acid-treated Barnebey-Sutcliffe Type 3032 utilized in the TCCS. Their adsorptive capacities under dry conditions were measured in a closed loop system and the sorbents were ranked for their ability to remove common VOCs found in spacecraft cabin air. This comparison suggests that these sorbents can be ranked as GCA 48 207C, OVC RB2 for the compounds evaluated.

Studies on adsorption capacity of clay-Sargassum sp biosorbent for Cr (VI) removal in wastewater from electroplating industry

Science.gov (United States)

Aprianti, Tine; Aprilyanti, Selvia; Apriani, Rachmawati; Sisnayati

2017-11-01

Various raw biosorbents have been studied for pollutant treatment of heavy metals contained in wastewater. In this study, clay and brown seaweed, Sargassum sp, are used for hexavalent chromium [Cr (VI)] biosorption. The adsorption capacity is adequately improved by combining clay and Sargassum sp as the adsorbent agent. Ion exchange of metal ions has shown strong coordination cross-linkage due to organic functional hydroxyl groups (OH-) contained in brown seaweed that provide sites to capture and bind the metal ions. Clay is known as an inexpensive adsorbent due to its wide availability besides its large specific surface area. Combining clay and Sargassum sp as biosorbent resulting better adsorption, the adsorption capacity reaches most favorable results of 99.39% at Sargassum: clay ratio of 40:60 on contact time 10 h. This study has proven that composit biosorbent used has succeeded in reducing hexavalent chromium pollutant in wastewater.

Comprehensive Adsorption Studies of Doxycycline and Ciprofloxacin Antibiotics by Biochars Prepared at Different Temperatures

Science.gov (United States)

Zeng, Zhi-wei; Tan, Xiao-fei; Liu, Yun-guo; Tian, Si-rong; Zeng, Guang-ming; Jiang, Lu-hua; Liu, Shao-bo; Li, Jiang; Liu, Ni; Yin, Zhi-hong

2018-01-01

This paper comparatively investigated the removal efficiency and mechanisms of rice straw biochars prepared under three pyrolytic temperatures for two kinds of tetracycline and quinolone antibiotics (doxycycline and ciprofloxacin). The influencing factors of antibiotic adsorption (including biochar dosage, pH, background electrolytes, humic acid, initial antibiotics concentration, contact time, and temperature) were comprehensively studied. The results suggest that biochars produced at high-temperature [i.e., 700°C (BC700)], have higher adsorption capacity for the two antibiotics than low-temperature (i.e., 300–500°C) biochars (BC300 and BC500). Higher surface area gives rise to greater volume of micropores and mesopores, and higher graphitic surfaces of the BC700 contributed to its higher functionality. The maximum adsorption capacity was found to be in the following order: DOX > CIP. The π-π EDA interaction and hydrogen bonding might be the predominant adsorption mechanisms. Findings in this study highlight the important roles of high-temperature biochars in controlling the contamination of tetracycline and quinolone antibiotics in the environment. PMID:29637067

Comprehensive adsorption studies of doxycycline and ciprofloxacin antibiotics by biochars prepared at different temperatures

Science.gov (United States)

Zeng, Zhi-wei; Tan, Xiao-fei; Liu, Yun-guo; Tian, Si-rong; Zeng, Guang-ming; Jiang, Lu-hua; Liu, Shao-bo; Li, Jiang; Liu, Ni; Yin, Zhi-hong

2018-03-01

This paper comparatively investigated the removal efficiency and mechanisms of rice straw biochars prepared under three pyrolytic temperatures for two kinds of tetracycline and quinolone antibiotics (doxycycline and ciprofloxacin). The influencing factors of antibiotic adsorption (including biochar dosage, pH, background electrolytes, humic acid, initial antibiotics concentration, contact time, and temperature) were comprehensively studied. The results suggest that biochars produced at high-temperature (i.e., 700°C (BC700)), have higher adsorption capacity for the two antibiotics than low-temperature (i.e., 300-500°C) biochars (BC300 and BC500). Higher surface area gives rise to greater volume of micropores and mesopores, and higher graphitic surfaces of the BC700 contributed to its higher functionality. The maximum adsorption capacity was found to be in the following order: DOX > CIP. The π-π EDA interaction and hydrogen bonding might be the predominant adsorption mechanisms. Findings in this study highlight the important roles of high-temperature biochars in controlling the contamination of tetracycline and quinolone antibiotics in the environment.

Effect of the both texture and electrical properties of activated carbon on the CO{sub 2} adsorption capacity

Energy Technology Data Exchange (ETDEWEB)

Djeridi, W. [Research Laboratory: Engineering Process and Industrial Systems, National school of Engineers of Gabes, University of Gabes, St Omar Ibn Elkhattab, 6029 Gabes (Tunisia); Chimistry laboratory of Provence, University Aix-Marseille I, II, III- CNRS, UMR 6264, Centre de Saint Jerome, 13397 Marseille (France); Ouederni, A. [Research Laboratory: Engineering Process and Industrial Systems, National school of Engineers of Gabes, University of Gabes, St Omar Ibn Elkhattab, 6029 Gabes (Tunisia); Mansour, N.Ben [National Nanotechnology Research Centre, KACST, Riyadh (Saudi Arabia); Llewellyn, P.L. [Chimistry laboratory of Provence, University Aix-Marseille I, II, III- CNRS, UMR 6264, Centre de Saint Jerome, 13397 Marseille (France); Alyamani, A. [National Nanotechnology Research Centre, KACST, Riyadh (Saudi Arabia); El Mir, L., E-mail: djeridiwahid@yahoo.fr [Laboratory of Physics of Materials and Nanomaterials Applied at Environment (LaPhyMNE), Gabes University, Faculty of Sciences in Gabes, Gabes (Tunisia); Al Imam Mohammad Ibn Saud Islamic University (IMSIU), College of Sciences, Department of Physics, 11623 Riyadh (Saudi Arabia)

2016-01-15

Highlights: • A series of activated carbon pellet without binder was prepared by chemical activation. • Carbon dioxide storage isotherm at 30 °C and up to 25 bars was measured for the microporous carbon. • Adsorption enthalpies have been correlated with the carbon dioxide uptake. • Pyrolysis temperature effect on the electrical conductivity of the samples. • Impact of the both texture and electrical properties on CO{sub 2} adsorption capacity have been deducted - Abstract: A series of activated carbon pellets (ACP) based on olive stones were studied for CO{sub 2} storage application. The surface area, pore volume, and pore diameter were evaluated from the analysis of N{sub 2} adsorption isotherm data. The characterization of carbon materials was performed by scanning electron microscopy (SEM), the powder X-ray diffraction (PXRD) and transmission electron microscopy (TEM). The adsorption enthalpies were obtained by microcalorimetry. The effect of pyrolysis temperature on textural, electrical conductivity and gas adsorption capacities of the ACP were investigated by adsorbing CO{sub 2} at 303 K in the pressure range of 0–2.3 MPa. In fact the electrical conductivity is strongly affected by the microporosity of the samples and the size of the micropore. It increases when the pore size decreases which affect the CO{sub 2} adsorption. Also with increases temperature the free electrons concentration on the surface increases which affect the interaction of the adsorbed gas molecules.

Combined theoretical and FTIR spectroscopic studies on hydrogen adsorption on the zeolites Na-FER and K-FER

Czech Academy of Sciences Publication Activity Database

Areán, C. O.; Palomino, G. T.; Garrone, E.; Nachtigallová, Dana; Nachtigall, Petr

2006-01-01

Roč. 110, č. 1 (2006), s. 395-402 ISSN 1520-6106 R&D Projects: GA MŠk(CZ) LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : adsorption * hydrogen storage * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.115, year: 2006

Summary of Adsorption Capacity and Adsorption Kinetics of Uranium and Other Elements on Amidoxime-based Adsorbents from Time Series Marine Testing at the Pacific Northwest National Laboratory

International Nuclear Information System (INIS)

Gill, Gary A.; Das, Sadananda; Mayes, Richard; Saito, Tomonori; Brown, Suree S.; Tsouris, Constantinos; Tsouris, Costas; Wai, Chien M.; Pan, Horng-Bin

2016-01-01

The Pacific Northwest National Laboratory (PNNL) has been conducting marine testing of uranium adsorbent materials for the Fuel Resources Program, Department of Energy, Office of Nuclear Energy (DOE-NE) beginning in FY 2012. The marine testing program is being conducted at PNNL's Marine Sciences Laboratory (MSL), located at Sequim Bay, along the coast of Washington. One of the main efforts of the marine testing program is the determination of adsorption capacity and adsorption kinetics for uranium and selected other elements (e.g. vanadium, iron, copper, nickel, and zinc) for adsorbent materials provided primarily by Oak Ridge National Laboratory (ORNL), but also includes other Fuel Resources Program participants. This report summarizes the major marine testing results that have been obtained to date using time series sampling for 42 to 56 days using either flow-through column or recirculating flume exposures. The major results are highlighted in this report, and the full data sets are appended as a series of Excel spreadsheet files. Over the four year period (2012-2016) that marine testing of amidoxime-based polymeric adsorbents was conducted at PNNL's Marine Science Laboratory, there has been a steady progression of improvement in the 56-day adsorbent capacity from 3.30 g U/kg adsorbent for the ORNL 38H adsorbent to the current best performing adsorbent prepared by a collaboration between the University of Tennessee and ORNL to produce the adsorbent SB12-8, which has an adsorption capacity of 6.56 g U/kg adsorbent. This nearly doubling of the adsorption capacity in four years is a significant advancement in amidoxime-based adsorbent technology and a significant achievement for the Uranium from Seawater program. The achievements are evident when compared to the several decades of work conducted by the Japanese scientists beginning in the 1980's (Kim et al., 2013). The best adsorbent capacity reported by the Japanese scientists was 3.2 g U/kg adsorbent for a 180

Summary of Adsorption Capacity and Adsorption Kinetics of Uranium and Other Elements on Amidoxime-based Adsorbents from Time Series Marine Testing at the Pacific Northwest National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Gill, Gary A. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Strivens, Jonathan E. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Wood, Jordana R. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Schlafer, Nicholas J. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Janke, Christopher J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Das, Sadananda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayes, Richard [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Saito, Tomonori [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brown, Suree S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tsouris, Constantinos [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Tsouris, Costas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wai, Chien M. [Univ. of Idaho, Moscow, ID (United States); LCW Supercritical Technologies, Seattle, WA (United States); Pan, Horng-Bin [Univ. of Idaho, Moscow, ID (United States)

2016-09-29

The Pacific Northwest National Laboratory (PNNL) has been conducting marine testing of uranium adsorbent materials for the Fuel Resources Program, Department of Energy, Office of Nuclear Energy (DOE-NE) beginning in FY 2012. The marine testing program is being conducted at PNNL’s Marine Sciences Laboratory (MSL), located at Sequim Bay, along the coast of Washington. One of the main efforts of the marine testing program is the determination of adsorption capacity and adsorption kinetics for uranium and selected other elements (e.g. vanadium, iron, copper, nickel, and zinc) for adsorbent materials provided primarily by Oak Ridge National Laboratory (ORNL), but also includes other Fuel Resources Program participants. This report summarizes the major marine testing results that have been obtained to date using time series sampling for 42 to 56 days using either flow-through column or recirculating flume exposures. The major results are highlighted in this report, and the full data sets are appended as a series of Excel spreadsheet files. Over the four year period (2012-2016) that marine testing of amidoxime-based polymeric adsorbents was conducted at PNNL’s Marine Science Laboratory, there has been a steady progression of improvement in the 56-day adsorbent capacity from 3.30 g U/kg adsorbent for the ORNL 38H adsorbent to the current best performing adsorbent prepared by a collaboration between the University of Tennessee and ORNL to produce the adsorbent SB12-8, which has an adsorption capacity of 6.56 g U/kg adsorbent. This nearly doubling of the adsorption capacity in four years is a significant advancement in amidoxime-based adsorbent technology and a significant achievement for the Uranium from Seawater program. The achievements are evident when compared to the several decades of work conducted by the Japanese scientists beginning in the 1980’s (Kim et al., 2013). The best adsorbent capacity reported by the Japanese scientists was 3.2 g U/kg adsorbent for a

Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method

Energy Technology Data Exchange (ETDEWEB)

Zou, Chenyu; van Duin, Adri C.T.; Sorescu, Dan C.

2012-06-01

We have developed a ReaxFF reactive force field to describe hydrogen adsorption and dissociation on iron and iron carbide surfaces relevant for simulation of Fischer–Tropsch (FT) synthesis on iron catalysts. This force field enables large system (>>1000 atoms) simulations of hydrogen related reactions with iron. The ReaxFF force field parameters are trained against a substantial amount of structural and energetic data including the equations of state and heats of formation of iron and iron carbide related materials, as well as hydrogen interaction with iron surfaces and different phases of bulk iron. We have validated the accuracy and applicability of ReaxFF force field by carrying out molecular dynamics simulations of hydrogen adsorption, dissociation and recombination on iron and iron carbide surfaces. The barriers and reaction energies for molecular dissociation on these two types of surfaces have been compared and the effect of subsurface carbon on hydrogen interaction with iron surface is evaluated. We found that existence of carbon atoms at subsurface iron sites tends to increase the hydrogen dissociation energy barrier on the surface, and also makes the corresponding hydrogen dissociative state relatively more stable compared to that on bare iron. These properties of iron carbide will affect the dissociation rate of H{sub 2} and will retain more surface hydride species, thus influencing the dynamics of the FT synthesis process.

Equilibrium curve determination of HF adsorption by activated carbon

International Nuclear Information System (INIS)

Bahrami, H.; Safdari, S. J.; Mousavian, S. M. A.

2010-01-01

One of the byproducts of uranium enrichment industry is hydrogen fluoride gas. Due to the toxicity and corrosivity of the molecule, it has adverse effects on the environment and the process. Therefore, it must be removed by adsorption towers. The activated carbon is one of the proposed sorbent for the adsorption. Hydrogen fluoride adsorption equilibrium curve gives important information for designing the adsorption towers. In this article, the hydrogen fluoride adsorption and adsorption factors were determined experimentally, and four different types of carbon have been used. The operating pressure in all tests was less than 30 mbar. Comparison between the obtained experimental equilibrium curves shows that the first, second and fourth types of activated carbon are suitable for the adsorption of hydrogen fluoride. The experimental data were fitted using mathematical models of Langmuir, Freundlich, Toth and Henry. The results show that Toth mathematical model is more suitable than other models. Also, the absolute error were predicted by the model of Toth for the first, second and fourth types of the activated carbon were 12.9, 16.5 and 34 percent, respectively.

Electrocatalytic activity of a mononuclear yttrium(III)–methyl orange complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles for adsorption/desorption of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Shafaie, Fahimeh [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Hadadzadeh, Hassan, E-mail: hadad@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Behnamfar, Mohammad Taghi [Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111 (Iran, Islamic Republic of); Rudbari, Hadi Amiri [Faculty of Chemistry, University of Isfahan, Isfahan, 81746-73441 (Iran, Islamic Republic of)

2016-12-01

A new mononuclear yttrium(III) complex, [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}] (where MO{sup –} is methyl orange anion (4-[(4-dimethylamino)phenyldiazenyl]benzenesulfonate)), was synthesized in an aqueous solution. The complex was characterized by elemental analysis, UV/Vis, FT-IR, and single-crystal X-ray crystallography. The yttrium oxysulfate nanoparticles (Y{sub 2}O{sub 2}SO{sub 4}) were then prepared by calcination of [Y(MO){sub 3}(DMF){sub 3}(H{sub 2}O){sub 2}]. The obtained nanoparticles were characterized by FT-IR, X-ray diffraction analysis (XRD), and field-emission scanning electron microscopy (FE-SEM). The hydrogen adsorption/desorption (H{sub ads}/H{sub des}) behavior of the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles was studied at a carbon paste electrode (CPE) in H{sub 2}SO{sub 4} by cyclic voltammetry (CV). The recorded voltammograms exhibited a pair of peaks corresponding to the adsorption/desorption of hydrogen for the Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. The results show a reversible hydrogen adsorption/desorption reaction for both compounds. The voltammograms of the nanoparticles indicate an excellent cycling stability for the adsorption/desorption of hydrogen. In addition, the linear sweep voltammetry (LSV) technique was used to investigate the electrocatalytic activity of both compounds for the hydrogen adsorption reaction. The linear voltammograms of both compounds demonstrate the excellent electrocatalytic activity for the hydrogen adsorption reaction. - Highlights: • Preparation of a new Y(III) complex and Y{sub 2}O{sub 2}SO{sub 4} nanoparticles. • Investigation of the H{sub ads}/H{sub des} reaction for both compounds by voltammetry. • Observation of two peaks corresponding to the H{sub ads}/H{sub des} in both compounds. • An excellent cycling stability for the nanoparticles in H{sub 2}SO{sub 4}.

Capillary condensation and adsorption of binary mixtures.

Science.gov (United States)

Weinberger, B; Darkrim-Lamari, F; Levesque, D

2006-06-21

The adsorption of equimolar binary mixtures of hydrogen-carbon dioxide, hydrogen-methane, and methane-carbon dioxide in porous material models is determined by grand canonical Monte Carlo simulations. The material models have an adsorbent surface similar to that of nanofibers with a herringbone structure. Our main result, which is relevant for hydrogen purification and carbon dioxide capture, is that the adsorption selectivities calculated for the mixtures can differ significantly from those deduced from simulations of the adsorption of pure gases, in particular, when one of the adsorbed gases presents a capillary condensation induced by confinement within the pore network. A comparison of our data is also made with theoretical models used in the literature for predicting the properties of the mixture adsorption.

Turning the wind into hydrogen: The long-run impact on electricity prices and generating capacity

International Nuclear Information System (INIS)

Green, Richard; Hu, Helen; Vasilakos, Nicholas

2011-01-01

Hydrogen production via electrolysis has been proposed as a way of absorbing the fluctuating electricity generated by wind power, potentially allowing the use of cheap electricity at times when it would otherwise be in surplus. We show that large-scale adoption of electrolysers would change the shape of the load-duration curve for electricity, affecting the optimal capacity mix. Nuclear power stations will replace gas-fired power stations, as they are able to run for longer periods of time. Changes in the electricity capacity mix will be much greater than changes to the pattern of prices. The long-run supply price of hydrogen will thus tend to be insensitive to the amount produced. - Research Highlights: → Hydrogen production from electrolysis may offset intermittent wind generation. → The generation capacity mix will change in response to changed demand patterns. → The long-run equilibrium supply curve for hydrogen will be quite flat. → The production cost will be very sensitive to fuel prices paid by generators.

Improving the hydrogen storage properties of metal-organic framework by functionalization.

Science.gov (United States)

Xia, Liangzhi; Liu, Qing; Wang, Fengling; Lu, Jinming

2016-10-01

Based on the structure of MOF-808, different substituents were introduced to replace hydrogen atom on the phenyl ring of MOF-808. The GCMC method was used to study the effect of functional groups on the hydrogen storage properties of MOF-808-X (X = -OH, -NO 2 , -CH 3 , -CN, -I). The H 2 uptakes and isosteric heat of adsorption were simulated at 77 K. The results indicate that all these substituents have favorable impact on the hydrogen storage capacity, and -CN is found to be the most promising substituent to improve H 2 uptake. These results may be helpful for the design of MOFs with higher hydrogen storage capacity. Graphical abstract Atomistic structures of MOFs. (a) The structures of MOF-808-X. (b) Model of organic linker. Atom color scheme: C, gray; H, white; O, red; X, palegreen (X = -OH, -NO 2 , -CH 3 , -CN, -I).

Effects of reducing temperatures on the hydrogen storage capacity of double-walled carbon nanotubes with Pd loading.

Science.gov (United States)

Sheng, Qu; Wu, Huimin; Wexler, David; Liu, Huakun

2014-06-01

The effects of different temperatures on the hydrogen sorption characteristics of double-walled carbon nanotubes (DWCNTs) with palladium loading have been investigated. When we use different temperatures, the particle sizes and specific surface areas of the samples are different, which affects the hydrogen storage capacity of the DWCNTs. In this work, the amount of hydrogen storage capacity was determined (by AMC Gas Reactor Controller) to be 1.70, 1.85, 2.00, and 1.93 wt% for pristine DWCNTS and for 2%Pd/DWCNTs-300 degrees C, 2%Pd/DWCNTs-400 degrees C, and 2%Pd/DWCNTs-500 degrees C, respectively. We found that the hydrogen storage capacity can be enhanced by loading with 2% Pd nanoparticles and selecting a suitable temperature. Furthermore, the sorption can be attributed to the chemical reaction between atomic hydrogen and the dangling bonds of the DWCNTs.

Green Hydrogen Production from Raw Biogas: A Techno-Economic Investigation of Conventional Processes Using Pressure Swing Adsorption Unit

Directory of Open Access Journals (Sweden)

Gioele Di Marcoberardino

2018-02-01

Full Text Available This paper discusses the techno-economic assessment of hydrogen production from biogas with conventional systems. The work is part of the European project BIONICO, whose purpose is to develop and test a membrane reactor (MR for hydrogen production from biogas. Within the BIONICO project, steam reforming (SR and autothermal reforming (ATR, have been identified as well-known technologies for hydrogen production from biogas. Two biogases were examined: one produced by landfill and the other one by anaerobic digester. The purification unit required in the conventional plants has been studied and modeled in detail, using Aspen Adsorption. A pressure swing adsorption system (PSA with two and four beds and a vacuum PSA (VPSA made of four beds are compared. VPSA operates at sub-atmospheric pressure, thus increasing the recovery: results of the simulations show that the performances strongly depend on the design choices and on the gas feeding the purification unit. The best purity and recovery values were obtained with the VPSA system, which achieves a recovery between 50% and 60% at a vacuum pressure of 0.1 bar and a hydrogen purity of 99.999%. The SR and ATR plants were designed in Aspen Plus, integrating the studied VPSA model, and analyzing the behavior of the systems at the variation of the pressure and the type of input biogas. The SR system achieves a maximum efficiency, calculated on the LHV, of 52% at 12 bar, while the ATR of 28% at 18 bar. The economic analysis determined a hydrogen production cost of around 5 €/kg of hydrogen for the SR case.

Synthesis of alumina nano-sheets via supercritical fluid technology with high uranyl adsorptive capacity

International Nuclear Information System (INIS)

Jing Yu; Jun Wang; Zhanshuang Li; Qi Liu; Milin Zhang; Hongbin Bai; Caishan Jiao; Jun Wang; Lianhe Liu

2012-01-01

Supercritical carbon dioxide is beneficial to the synthesis of superior ultrafine and uniform materials due to its high chemical stability, low viscosity, high diffusivity, and 'zero' surface tension. γ-Alumina nano-sheets were obtained by a simple hydrothermal route in the presence of supercritical carbon dioxide. XRD, FTIR, SEM, TEM and nitrogen sorption isotherm were employed to characterize the samples. Alumina as-prepared has a high specific surface area of up to 200 ± 6 m 2 g -1 , which presents a high adsorption capacity (4.66 ± 0.02 mg g -1 ) for uranyl ions from aqueous solution. Furthermore, the adsorption process was found to be endothermic and spontaneous in nature. (authors)

Adsorption characteristics of Bisphenol-A on tailored activated carbon in aqueous solutions.

Science.gov (United States)

Yan, Liang; Lv, Di; Huang, Xinwen; Shi, Huixiang; Zhang, Geshan

2016-10-01

The adsorption behavior of pharmaceuticals and personal care product, Bisphenol-A (BPA), according to four coal-based and four wood-based granular activated carbons modified using outgassing treatment, acidic treatment or alkaline treatment was studied. The adsorption isotherm results indicated that carbon surface acidity played a very important role in the adsorption of BPA. It was found that increasing surface acidity would increase the hydrogen bonding effects and increase adsorption of BPA on activated carbon. The acidic modified sample (F600-A and OLC-A) represented the best adsorption capacity, and the equilibrium adsorption amounts reached 346.42 and 338.55 mg/g, respectively. Further, effects of surface charge and surface basicity were examined. It was found that the adsorbed amount of BPA decreased with the increase of surface charge. Finally, there appeared to be a significant oligomerization phenomenon with BPA molecules onto the surface of activated carbon. OLC and OLC-OG, which have higher micropore percentages, are very effective in hampering the oligomerization of BPA under oxic conditions.

One-Step Preparation of Graphene Oxide/Cellulose Nanofibril Hybrid Aerogel for Adsorptive Removal of Four Kinds of Antibiotics

Directory of Open Access Journals (Sweden)

Jin Wang

2017-01-01

Full Text Available Via a one-step ultrasonication method, cellulose nanofibril/graphene oxide hybrid (GO-CNF aerogel was successfully prepared. The as-prepared GO-CNF possessed interconnected 3D network microstructure based on GO nanosheets grown along CNF through hydrogen bonds. The aerogel exhibited superior adsorption capacity toward four kinds of antibiotics. The removal percentages (R% of these antibiotics were 81.5%, 79.5%, 79.1%, and 73.9% for Doxycycline (DXC, Chlortetracycline (CTC, Oxytetracycline (OTC, and tetracycline (TC, respectively. Simultaneously, the adsorption isotherms were well fitted to Langmuir model and kinetics study implied that the adsorption process was attributed to pseudo-second-order model. The maximum theoretical adsorption capacities of GO-CNF were 469.7, 396.5, 386.5, and 343.8 mg·g−1 for DXC, CTC, OTC, and TC, respectively, calculated by the Langmuir isotherm models. After five cycles, importantly, the regenerated aerogels still could be used with little degradation of adsorption property. Consequently, the as-synthesized GO-CNF was a successful application of effective removal of antibiotics.

Electrochemical Hydrogen Storage in a Highly Ordered Mesoporous Carbon

Directory of Open Access Journals (Sweden)

Dan eLiu

2014-10-01

Full Text Available A highly order mesoporous carbon has been synthesized through a strongly acidic, aqueous cooperative assembly route. The structure and morphology of the carbon material were investigated using TEM, SEM and nitrogen adsorption-desorption isotherms. The carbon was proven to be meso-structural and consisted of graphitic micro-domain with larger interlayer space. AC impedance and electrochemical measurements reveal that the synthesized highly ordered mesoporous carbon exhibits a promoted electrochemical hydrogen insertion process and improved capacitance and hydrogen storage stability. The meso-structure and enlarged interlayer distance within the highly ordered mesoporous carbon are suggested as possible causes for the enhancement in hydrogen storage. Both hydrogen capacity in the carbon and mass diffusion within the matrix were improved.

Superb adsorption capacity of hierarchical calcined Ni/Mg/Al layered double hydroxides for Congo red and Cr(VI) ions

Energy Technology Data Exchange (ETDEWEB)

Lei, Chunsheng [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); College of Environmental & Safety Engineering, Changzhou University, Changzhou 213164 (China); Zhu, Xiaofeng [College of Environmental & Safety Engineering, Changzhou University, Changzhou 213164 (China); Zhu, Bicheng; Jiang, Chuanjia; Le, Yao [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Yu, Jiaguo, E-mail: jiaguoyu@yahoo.com [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

2017-01-05

Highlights: • Ni/Mg/Al layered double hydroxides (NMA-LDHs) synthesized. • NMA-LDHs with hierarchically hollow microsphere structure. • Calcined NMA-LDHs have large adsorption capacities for CR and Cr(VI) ions. - Abstract: The preparation of hierarchical porous materials as catalysts and sorbents has attracted much attention in the field of environmental pollution control. Herein, Ni/Mg/Al layered double hydroxides (NMA-LDHs) hierarchical flower-like hollow microspheres were synthesized by a hydrothermal method. After the NMA-LDHs was calcined at 600 °C, NMA-LDHs transformed into Ni/Mg/Al layered double oxides (NMA-LDOs), which maintained the hierarchical flower-like hollow structure. The crystal phase, morphology, and microstructure of the as-prepared samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy elemental mapping, Fourier transform infrared spectroscopy, and nitrogen adsorption−desorption methods. Both the calcined and non-calcined NMA-LDHs were examined for their performance to remove Congo red (CR) and hexavalent chromium (Cr(VI)) ions in aqueous solution. The maximum monolayer adsorption capacities of CR and Cr(VI) ions over the NMA-LDOs sample were 1250 and 103.4 mg/g at 30 °C, respectively. Thermodynamic studies indicated that the adsorption process was endothermic in nature. In addition, the addition of coexisting anions negatively influenced the adsorption capacity of Cr(VI) ions, in the following order: CO{sub 3}{sup 2−} > SO{sub 4}{sup 2−} > H{sub 2}PO{sub 4}{sup −} > Cl{sup −}. This work will provide new insight into the design and fabrication of advanced adsorption materials for water pollutant removal.

Investigation of mono/competitive adsorption of environmentally relevant ionized weak acids on graphite: impact of molecular properties and thermodynamics.

Science.gov (United States)

Moustafa, Ahmed M A; McPhedran, Kerry N; Moreira, Jesús; Gamal El-Din, Mohamed

2014-12-16

The thermodynamics of adsorption and competitive interactions of five weak acids on a graphite surface was assessed in alkaline solutions. Adsorption of the acids in mono- and multicompound solutions followed their Freundlich isotherms which suggest a diversity of graphite adsorption sites as confirmed by the presence of carboxylic and phenolic groups observed on graphite surfaces. Thermodynamic calculations assigned the formation of the negatively charged assisted hydrogen bond (-CAHB) between ionized solutes and adsorbent surface groups as the possible adsorption mechanism. However, the similar pKa values of current acids resulted in comparable free energies for -CAHB formation (ΔG(-CAHB)) being less than solvation free energies (ΔGSolv). Thus, additional ΔG is supplemented by increased hydrophobicity due to proton exchange of ionized acids with water (ΔΔG Hydrophobicity). Adsorption capacities and competition coefficients indicated that ΔΔG Hydrophobicity values depend on the neutral and ionized acid Kow. Competitive adsorption implies that multilayer adsorption may occur via hydrophobic bonding with the CH3 ends of the self-assembled layer which affects the acid adsorption capacities in mixtures as compared to monocompound solutions. The determination of adsorption mechanisms will assist in understanding of the fate and bioavailability of emerging and classical weak acids released into natural waters.

Novel hollow microspheres of hierarchical zinc-aluminum layered double hydroxides and their enhanced adsorption capacity for phosphate in water

International Nuclear Information System (INIS)

Zhou, Jiabin; Yang, Siliang; Yu, Jiaguo; Shu, Zhan

2011-01-01

Highlights: → Hierarchical Zn-Al LDHs hollow microspheres were first synthesized by a simple hydrothermal method using urea as precipitating agent. → The morphology of Zn-Al LDHs can be tailored from irregular platelet to hollow microspheres by simply varying concentrations of urea. → The as-prepared samples exhibit high adsorption capacity (54.1-232 mg/g) for phosphate from aqueous solution. - Abstract: Hollow microspheres of hierarchical Zn-Al layered double hydroxides (LDHs) were synthesized by a simple hydrothermal method using urea as precipitating agent. The morphology and microstructure of the as-prepared samples were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), nitrogen adsorption-desorption isotherms and fourier transform infrared (FTIR) spectroscopy. It was found that the morphology of hierarchical Zn-Al LDHs can be tuned from irregular platelets to hollow microspheres by simply varying concentrations of urea. The effects of initial phosphate concentration and contact time on phosphate adsorption using various Zn-Al LDHs and their calcined products (LDOs) were investigated from batch tests. Our results indicate that the equilibrium adsorption data were best fitted by Langmuir isothermal model, with the maximum adsorption capacity of 54.1-232 mg/g; adsorption kinetics follows the pseudo-second-order kinetic equation and intra-particle diffusion model. In addition, Zn-Al LDOs are shown to be effective adsorbents for removing phosphate from aqueous solutions due to their hierarchical porous structures and high specific surface areas.

Hydrogen adsorption in microporous alkali-doped carbons (single-wall carbon nano-tubes and activated carbons)

International Nuclear Information System (INIS)

Laurent Duclaux; Szymon Los; Michel Letellier; Philippe Azais; Roland Pellenq; Thomas Roussel; Xavier Fuhr

2006-01-01

Doping of microporous carbon by Li or K leads to an increase in the energy of adsorption of H 2 or D 2 molecules. Thus, the room temperature sorption capacities (at P≤3 MPa) can be higher than the ones of the raw materials after slight doping. However, the maximum H 2 (or D 2 ) storage uptake measured at T≤ 77 K is lower than the one of pristine materials as the sites of adsorption are occupied by alkali ions inserted in the micropores. The microporous adsorption sites of doped single-walled carbon nano-tubes, identified by neutron diffraction, are both the interstitial voids (in electric-arc or HiPCO tubes) in between the tubes and the central canals of the tubes (only in HiPCO tubes). (authors)

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

Science.gov (United States)

2017-01-01

The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage. Optimal features that maximize net capacity at room temperature include pore sizes of around 6 Å and void fractions of 0.1, while at cryogenic temperatures pore sizes of 10 Å and void fractions of 0.5 are optimal. Our top candidates are found to be commercially attractive as “cryo-adsorbents”, with promising storage capacities at 77 K and 100 bar with 30% enhancement to 40 g/L, a promising alternative to liquefaction at 20 K and compression at 700 bar. PMID:28413259

Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

International Nuclear Information System (INIS)

Vega, Esther; Lemus, Jesús; Anfruns, Alba; Gonzalez-Olmos, Rafael; Palomar, José; Martin, María J.

2013-01-01

Highlights: • HNO 3 oxidation incorporates a higher amount of functionalities than O 3 oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO 3 oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions

Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

Energy Technology Data Exchange (ETDEWEB)

Vega, Esther, E-mail: esther@lequia.udg.cat [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Lemus, Jesús [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Anfruns, Alba; Gonzalez-Olmos, Rafael [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Palomar, José [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Martin, María J. [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain)

2013-08-15

Highlights: • HNO{sub 3} oxidation incorporates a higher amount of functionalities than O{sub 3} oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO{sub 3} oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions.

[Blood plasma protein adsorption capacity of perfluorocarbon emulsion stabilized by proxanol 268 (in vitro and in vivo studies)].

Science.gov (United States)

Sklifas, A N; Zhalimov, V K; Temnov, A A; Kukushkin, N I

2012-01-01

The adsorption abilities of the perfluorocarbon emulsion stabilized by Proxanol 268 were investigated in vitro and in vivo. In vitro, the saturation point for the blood plasma proteins was nearly reached after five minutes of incubation of the emulsion with human/rabbit blood plasma and was stable for all incubation periods studied. The decrease in volume ratio (emulsion/plasma) was accompanied by the increase in the adsorptive capacity of the emulsion with maximal values at 1/10 (3.2 and 1.5 mg of proteins per 1 ml of the emulsion, for human and rabbit blood plasma, respectively) that was unchanged at lower ratios. In vivo, in rabbits, intravenously injected with the emulsion, the proteins with molecular masses of 12, 25, 32, 44, 55, 70, and 200 kDa were adsorbed by the emulsion (as in vitro) if it was used 6 hours or less before testing. More delayed testing (6 h) revealed elimination of proteins with molecular masses of 25 and 44 kDa and an additional pool of adsorpted new ones of 27, 50, and 150 kDa. Specific adsorptive capacity of the emulsion enhanced gradually after emulsion injection and reached its maximum (3.5-5 mg of proteins per 1 ml of the emulsion) after 24 hours.

Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

Science.gov (United States)

Song, Hoon Sub; Park, Moon Gyu; Croiset, Eric; Chen, Zhongwei; Nam, Sung Chan; Ryu, Ho-Jung; Yi, Kwang Bok

2013-09-01

Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H2S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H2S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H2S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H2 and CO2 on H2S adsorption was also investigated. The presence of hydrogen in the H2S stream had a positive effect on the removal of H2S since it allows a reducing environment for Znsbnd O and Znsbnd S bonds, leading to more active sites (Zn2+) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO2) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H2S and CO2.

Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

International Nuclear Information System (INIS)

Song, Hoon Sub; Park, Moon Gyu; Croiset, Eric; Chen, Zhongwei; Nam, Sung Chan; Ryu, Ho-Jung; Yi, Kwang Bok

2013-01-01

Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H 2 S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H 2 S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H 2 S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H 2 and CO 2 on H 2 S adsorption was also investigated. The presence of hydrogen in the H 2 S stream had a positive effect on the removal of H 2 S since it allows a reducing environment for Zn-O and Zn-S bonds, leading to more active sites (Zn 2+ ) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO 2 ) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H 2 S and CO 2 .

Improved rapidly-quenched hydrogen-absorbing alloys for development of improved-capacity nickel metal hydride batteries

Science.gov (United States)

Ise, Tadashi; Hamamatsu, Takeo; Imoto, Teruhiko; Nogami, Mitsuzo; Nakahori, Shinsuke

The effects of annealing a rapidly-quenched hydrogen-absorbing alloy with a stoichiometric ratio of 4.76 were investigated concerning its hydrogen-absorbing properties, crystal structure and electrochemical characteristics. Annealing at 1073 K homogenized the alloy microstructure and flattened its plateau slope in the P-C isotherms. However, annealing at 1273 K segregated a second phase rich in rare earth elements, increased the hydrogen-absorbing pressure and decreased the hydrogen-absorbing capacity. As the number of charge-discharge cycles increases, the particle size distribution of the rapidly-quenched alloy became broad due to partial pulverization. However, particle size distribution of the rapidly-quenched, annealed, alloy was sharp, since the annealing homogenized the microstructure, thereby improving the cycle characteristics. A high-capacity rectangular nickel metal hydride battery using a rapidly-quenched, annealed, surface-treated alloy for the negative electrode and an active material coated with cobalt compound containing sodium for the positive electrode was developed. The capacity of the resulting battery was 30% greater than that of a conventional battery.

Interaction of atomic hydrogen with charcoal at 77 K

International Nuclear Information System (INIS)

Gorodetsky, A.E.; Vnukov, S.P.; Zalavutdinov, R.Kh.; Zakharov, A.P.; Buryak, A.K.; Ulyanov, A.V.; Federici, G.; Day, Chr.

2005-01-01

Charcoal is a working material of sorption cryopumps in the ITER project. The interaction of thermal hydrogen molecules and atoms with charcoal has been analyzed by TDS (77-300 K) and sorption measurements at 77 K. A stream quartz reactor with an H 2 RF discharge was used for the production of H atoms. The ratio of H and H 2 in the gas mixture in the afterglow zone was ∼10 -4 , hydrogen flow and inlet pressure were 6.9 sccm and 30 Pa, respectively. After exposure in the H/H 2 mixture during 1 hour the marked change in the shape of the TD spectra and decrease of the charcoal sorption capacity for hydrogen and nitrogen were detected. A wide spectrum of hydrocarbon fragments formed at 77 K was registered by mass-spectrometry at charcoal heating up to 700 K. The specific adsorption volume of charcoal, which was measured by N 2 adsorption at 77 K, decreased directly as amount of H atoms passed through the section with charcoal. (author)

A study on hydrogen-storage behaviors of nickel-loaded mesoporous MCM-41.

Science.gov (United States)

Park, Soo-Jin; Lee, Seul-Yi

2010-06-01

The objective of the present work was to investigate the possibility of improving the hydrogen-storage capacity of mesoporous MCM-41 containing nickel (Ni) oxides (Ni/MCM-41). The MCM-41 and Ni/MCM-41 were prepared using a hydrothermal process as a function of Ni content (2, 5, and 10 wt.% in the MCM-41). The surface functional groups of the Ni/MCM-41 were identified by Fourier transform infrared spectroscopy (FTIR). The structure and morphology of the Ni/MCM-41 were characterized by X-ray diffraction (XRD) and field emission transmission electron microscopy (FE-TEM). XRD results showed a well-ordered hexagonal pore structure; FE-TEM also revealed, as a complementary technique, the structure and pore size. The textural properties of the Ni/MCM-41 were analyzed using N(2) adsorption isotherms at 77 K. The hydrogen-storage capacity of the Ni/MCM-41 was evaluated at 298 K/100 bar. It was found that the presence of Ni on mesoporous MCM-41 created hydrogen-favorable sites that enhanced the hydrogen-storage capacity by a spillover effect. Furthermore, it was concluded that the hydrogen-storage capacity was greatly influenced by the amount of nickel oxide, resulting in a chemical reaction between Ni/MCM-41 and hydrogen molecules. Crown Copyright © 2010. Published by Elsevier Inc. All rights reserved.

From Fundamental Understanding To Predicting New Nanomaterials For High Capacity Hydrogen/Methane Storage and Carbon Capture

Energy Technology Data Exchange (ETDEWEB)

Yildirim, Taner [Univ. of Pennsylvania, Philadelphia, PA (United States)

2015-03-03

On-board hydrogen/methane storage in fuel cell-powered vehicles is a major component of the national need to achieve energy independence and protect the environment. The main obstacles in hydrogen storage are slow kinetics, poor reversibility and high dehydrogenation temperatures for the chemical hydrides; and very low desorption temperatures/energies for the physisorption materials (MOF’s, porous carbons). Similarly, the current methane storage technologies are mainly based on physisorption in porous materials but the gravimetric and volumetric storage capacities are below the target values. Finally, carbon capture, a critical component of the mitigation of CO2 emissions from industrial plants, also suffers from similar problems. The solid-absorbers such as MOFs are either not stable against real flue-gas conditions and/or do not have large enough CO2 capture capacity to be practical and cost effective. In this project, we addressed these challenges using a unique combination of computational, synthetic and experimental methods. The main scope of our research was to achieve fundamental understanding of the chemical and structural interactions governing the storage and release of hydrogen/methane and carbon capture in a wide spectrum of candidate materials. We studied the effect of scaffolding and doping of the candidate materials on their storage and dynamics properties. We reviewed current progress, challenges and prospect in closely related fields of hydrogen/methane storage and carbon capture.[1-5] For example, for physisorption based storage materials, we show that tap-densities or simply pressing MOFs into pellet forms reduce the uptake capacities by half and therefore packing MOFs is one of the most important challenges going forward. For room temperature hydrogen storage application of MOFs, we argue that MOFs are the most promising scaffold materials for Ammonia-Borane (AB) because of their unique interior active metal-centers for AB binding and well

An insight into the removal of Cu (II) and Pb (II) by aminopropyl-modified mesoporous carbon CMK-3: Adsorption capacity and mechanism

Energy Technology Data Exchange (ETDEWEB)

Hamad, Hussein, E-mail: hussein.hamad@ul.edu.lb [Platform for Research and Analysis in Environmental Sciences (PRASE), Lebanese University, Beirut (Lebanon); Ezzeddine, Zeinab; Lakis, Fatima; Rammal, Hassan [Platform for Research and Analysis in Environmental Sciences (PRASE), Lebanese University, Beirut (Lebanon); Srour, Mortada [Lebanese University, Faculty of Sciences (I), Hadath, Beirut (Lebanon); Hijazi, Akram [Platform for Research and Analysis in Environmental Sciences (PRASE), Lebanese University, Beirut (Lebanon)

2016-08-01

In this study, the adsorption of heavy metal ions onto ordered mesoporous carbon CMK-3 was investigated. CMK-3 has been synthesized using SBA-15 as the hard template and then directly amino-functionalized by the treatment with 3-aminopropyltrimethoxysilane (APTMS) without the need of oxidation before. The thus obtained modified mesoporous carbon has been characterized by nitrogen sorption, X-ray diffraction and infrared spectroscopy. Its adsorption efficiency for the removal of Cu{sup 2+} and Pb{sup 2+} from aqueous solutions was tested. The effects of contact time, pH and initial metal ions concentration were investigated as well. The adsorption capacities were very high (3.5 mmol g{sup −1} and 8.6 mmol g{sup −1} for Pb{sup 2+} and Cu{sup 2+} respectively). These values depend largely on the speciation of metal ions as a function of pH. The selectivity was also dependent on the nature of metal ions rather than the adsorbent used. The mechanism of adsorption is complex where several types of interaction between metal ions and the adsorbent surface are involved. - Highlights: • Mesoporous carbon CMK-3 was successfully synthesized and functionalized. • No oxidation treatment was done prior to aminopropyl functionalization. • The adsorbent adsorption capacity is high (3.5 mmol g{sup −1} for Cu{sup 2+} and 8.6 mmol g{sup −1} for Pb{sup 2+}). • The maximum Cu{sup 2+} adsorption capacity is related to its speciation as a function of pH. • The mechanism of adsorption is complex including different types of interaction.

A one-step thermal decomposition method to prepare anatase TiO2 nanosheets with improved adsorption capacities and enhanced photocatalytic activities

International Nuclear Information System (INIS)

Li, Wenting; Shang, Chunli; Li, Xue

2015-01-01

Highlights: • Anatase TiO 2 nanosheets (NSs) with high surface area have been prepared. • Only one type of surfactant, oleylamine (OM), is used as capping agents. • TiO 2 NSs possess high adsorption capacities MB and high photocatalytic activity. - Abstract: Anatase TiO 2 nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO 2 NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N 2 adsorption analysis, UV–vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO 2 NSs possess high surface area up to 378 m 2 g −1 . The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO 2 NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO 2 NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

Chitosan supramolecularly cross linked with trimesic acid - Facile synthesis, characterization and evaluation of adsorption potential for chromium(VI).

Science.gov (United States)

Bhatt, Ronak; Sreedhar, B; Padmaja, P

2017-11-01

A facile synthesis of Chitosan Supramolecularly cross-linked with Trimesic Acid (CTMA) is reported in this work. The adsorption potential of CTMA for removal of hexavalent chromium was evaluated and the influence of pH, temperature, contact time and adsorbent dose on the adsorption process was investigated. The experimental results showed that CTMA could efficiently adsorb Cr 6+ and partially reduce it to the less toxic Cr 3+ state. The maximum adsorption capacity of CTMA for Cr 6+ was found to be 129.53mg/g at pH 2.0. CTMA and chromium loaded CTMA were characterised by FT-IR, Raman, TGA-DSC, SEM-EDX, XRD, ESR and XPS spectroscopic techniques. Chitosan was observed to be cross- linked with TMA via ionic, hydrogen bonding and pi-pi supramolecular interactions while adsorption of chromium onto CTMA was by electrostatic forces and hydrogen bonding. From the observed results it was evident that CTMA was successfully applied for simultaneous removal of chromium, lead and iron from chrome plating effluent. Copyright © 2017 Elsevier B.V. All rights reserved.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

B Buczek; E Wolak

2005-01-01

In the present century hydrogen will be the most important source of energy and will replace petroleum and petroleum-derived products in the next future. Hydrogen is an almost ideal fuel, both because of its unlimited accessibility and for ecological reasons; the product of its combustion - water vapour - is neither any gaseous contamination nor a component of greenhouse gases. Nowadays hydrogen is applied in industrial processes, but may be also used as a source of house lighting and heating energy, for production of electricity, and as fuel for car engines. Fuel cells, applying reaction between hydrogen and oxygen for production of electricity have been for a long time used in the space technology. Application of hydrogen as fuel should give a possibility of storage and transfer of the high quality energy, i.e. the energy of a high exo-energetic ratio. Due to its low density, one of the main obstacles to the widespread use of hydrogen in energy sector is an efficient storage technology. At present, the methods of hydrogen storage are to liquefy and store in refrigerated containers, which is very expensive, or to store it in high - pressure gas cylinders at room temperature. Unfortunately, low storage density of hydrogen for the latter technique is a significant drawback. Between alternatives have been considered (chemical storage in irreversible hydrogen carriers like methanol or ammonia, reversible metal and chemical hydrides and adsorption in porous media), the latter one seems to lie the most promising. Physical adsorption is a method by which more gas can be stored at a lower pressure by means of Van der Waals interactions at the gas solid interface. Adsorptive storage is particularly promising for permanent gases, which need to be stored, transported, or used in ambient temperature. Thanks to the high density of adsorbed phase, adsorptive storage system could allow the storage of a high density of hydrogen at much lower pressures than compression and higher

Glucose recovery from aqueous solutions by adsorption in metal–organic framework MIL-101: a molecular simulation study

Science.gov (United States)

Gupta, Krishna M.; Zhang, Kang; Jiang, Jianwen

2015-01-01

A molecular simulation study is reported on glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101. The F atom of MIL-101 is identified to be the most favorable adsorption site. Among three MIL-101-X (X = H, NH2 or CH3), the parent MIL-101 exhibits the highest adsorption capacity and recovery efficacy. Upon functionalization by -NH2 or -CH3 group, the steric hindrance in MIL-101 increases; consequently, the interactions between glucose and framework become less attractive, thus reducing the capacity and mobility of glucose. The presence of ionic liquid, 1-ethyl-3-methyl-imidazolium acetate, as an impurity reduces the strength of hydrogen-bonding between glucose and MIL-101, and leads to lower capacity and mobility. Upon adding anti-solvent (ethanol or acetone), a similar adverse effect is observed. The simulation study provides useful structural and dynamic properties of glucose in MIL-101, and it suggests that MIL-101 might be a potential candidate for glucose recovery. PMID:26242874

Evaluation of Adsorption Capacity of Chitosan-Citral Schiff Base for Wastewater Pre-Treatment in Dairy Industries

Directory of Open Access Journals (Sweden)

Desislava K. Tsaneva

2017-06-01

Full Text Available In this study, we aimed to evaluate the adsorption capacity of the Schiff base chitosan-citral for its application in dairy wastewater pre-treatment. Chemical oxygen demand (COD reduction was the factor used to evaluate the adsorption efficiency. The maximum COD percentage reduction of 35.3% was obtained at 40.0 °C, pH 9.0, adsorbent dose 15 g L-1, contact time 180 min and agitation speed 100 rpm. It was found that the Langmuir isotherm fitted well the equilibrium data of COD uptake (R2 = 0.968, whereas the kinetic data were best fitted by the pseudo-second order model (R2=0.999. Enhancement of the adsorption efficiency up to 29.8% in dependence of the initial COD concentration of the dairy wastewater was observed by adsorption with the Schiff base chitosan-citral adsorbent compared to the non-modified chitosan at the same experimental conditions. The results indicated that the Schiff base chitosan-citral can be used for dairy wastewater physicochemical pretreatment by adsorption, which might be applied before the biological unit in the wastewater treatment plant to reduce the load.

Environmentally benign working pairs for adsorption refrigeration

International Nuclear Information System (INIS)

Cui Qun; Tao Gang; Chen Haijun; Guo Xinyue; Yao Huqing

2005-01-01

This paper begins from adsorption working pairs: water and ethanol were selected as refrigerants; 13x molecular sieve, silica gel, activated carbon, adsorbent NA and NB, proposed by authors, were selected as adsorbents, and the performance of adsorption working pairs in adsorption refrigeration cycle was studied. The adsorption isotherms of adsorbents (NA and NB) were obtained by high-vacuum gravimetric method. Desorption properties of adsorbents were analyzed and compared by thermal analysis method. The performance of adsorption refrigeration was studied on simulation device of adsorption refrigeration cycle. After presentation of adsorption isotherms, the thermodynamic performance for their use in adsorption refrigeration system was calculated. The results show: (1) the maximum adsorption capacity of water on adsorbent NA reaches 0.7 kg/kg, and the maximum adsorption capacity of ethanol on adsorbent NB is 0.68 kg/kg, which is three times that of ethanol on activated carbon, (2) the refrigeration capacity of NA-water working pair is 922 kJ/kg, the refrigeration capacity of NB-ethanol is 2.4 times that of activated carbon-methanol, (3) as environmental friendly and no public hazard adsorption working pair, NA-H 2 O and NB-ethanol can substitute activated carbon-methanol in adsorption refrigeration system using low-grade heat source

Cadmium Adsorption on HDTMA Modified Montmorillionite

Directory of Open Access Journals (Sweden)

Mohd. Elmuntasir I. Ahmed

2009-06-01

Full Text Available In this paper the possibility of cadmium removal from aqueous solutions by adsorption onto modified montmorillonite clay is investigated. Batch adsorption experiments performed revealed an enhanced removal of cadmium using HDTMA modified montmorillonite to 100% of its exchange capacity. Modified montmorillonite adsorption capacity increases at higher pHs suggesting adsorption occurs as a result of surface precipitation and HDTMA complex formation due to the fact that the original negatively charged montmorillonite is now covered by a cationic layer of HDTMA. Adsorption isotherms generated followed a Langmuir isotherm equation possibly indicating a monolayer coverage. Adsorption capacities of up to 49 mg/g and removals greater than 90% were achieved. Anionic selectivity of the HDTMA modified monmorillonite is particularly advantageous in water treatment applications where high concentrations of less adsorbable species are present, and the lack of organoclay affinity for these species may allow the available capacity to be utilized selectively by the targeted species.

Prospects for hydrogen storage in graphene.

Science.gov (United States)

Tozzini, Valentina; Pellegrini, Vittorio

2013-01-07

Hydrogen-based fuel cells are promising solutions for the efficient and clean delivery of electricity. Since hydrogen is an energy carrier, a key step for the development of a reliable hydrogen-based technology requires solving the issue of storage and transport of hydrogen. Several proposals based on the design of advanced materials such as metal hydrides and carbon structures have been made to overcome the limitations of the conventional solution of compressing or liquefying hydrogen in tanks. Nevertheless none of these systems are currently offering the required performances in terms of hydrogen storage capacity and control of adsorption/desorption processes. Therefore the problem of hydrogen storage remains so far unsolved and it continues to represent a significant bottleneck to the advancement and proliferation of fuel cell and hydrogen technologies. Recently, however, several studies on graphene, the one-atom-thick membrane of carbon atoms packed in a honeycomb lattice, have highlighted the potentialities of this material for hydrogen storage and raise new hopes for the development of an efficient solid-state hydrogen storage device. Here we review on-going efforts and studies on functionalized and nanostructured graphene for hydrogen storage and suggest possible developments for efficient storage/release of hydrogen under ambient conditions.

On the nature of gallium species in gallium-modified mordenite and MFI zeolites. A comparative DRIFT study of carbon monoxide adsorption and hydrogen dissociation.

Science.gov (United States)

Serykh, Alexander I; Kolesnikov, Stanislav P

2011-04-21

The results of a DRIFT study of carbon monoxide molecular adsorption and hydrogen dissociative adsorption on gallium-modified mordenite and MFI (ZSM-5) zeolites are presented. It was found that in the reduced gallium-modified mordenite (Ga-MOR) both Ga(3+) and Ga(+) exchanged cations are present and can be detected by CO adsorption. Ga(3+) cations in Ga-MOR dissociatively adsorb molecular hydrogen at elevated temperatures, resulting in the formation of gallium hydride species and acidic hydroxyl groups. In the reduced Ga-MFI evacuated at 823 K under medium vacuum conditions only Ga(+) exchanged intrazeolite cations were detected. It was found, however, that Ga(3+) intrazeolite exchanged cations which form upon high-temperature disproportionation of Ga(+) cations in the reduced Ga-MFI and Ga-MOR can be stabilized by high-temperature oxidation of these zeolites.

Determination of Adsorption Capacity and Kinetics of Amidoxime-Based Uranium Adsorbent Braided Material in Unfiltered Seawater Using a Flume Exposure System

International Nuclear Information System (INIS)

Gill, Gary A.; Kuo, Li-Jung; Strivens, Jonathan E.; Park, Jiyeon; Bonheyo, George T.; Jeters, Robert T.; Schlafer, Nicholas J.; Wood, Jordana R.

2015-01-01

PNNL has developed a recirculating flume system for exposing braided adsorbent material to natural seawater under realistic temperature and flow-rate exposure conditions. The flumes are constructed of transparent acrylic material; they allow external light to pass into the flumes and permit photosynthetic growth of naturally present marine organisms (biofouling). Because the system consists of two flumes, replicate experiments can be conducted in which one of the flumes can be manipulated relative to the other. For example, one flume can be darkened to eliminate light exposure by placing a black tarp over the flume such that dark/light experiments can be conducted. Alternatively, two different braided adsorbents can be exposed simultaneously with no potential cross contamination issues. This report describes the first use of the PNNL flume system to study the impact of biofouling on adsorbent capacity. Experiments were conducted with the ORNL AI8 braided adsorbent material in light-exposed and darkened flumes for a 42-day exposure experiment. The major objective of this effort is to develop a system for the exposure of braided adsorbent material to unfiltered seawater, and to demonstrate the system by evaluating the performance of adsorption material when it is exposed to natural marine biofouling as it would be when the technology is used in the marine environment. Exposures of amidoxime-based polymeric braid adsorbents prepared by Oak Ridge Natural Laboratory (ORNL) were exposed to ambient seawater at 20°C in a flume system. Adsorption kinetics and adsorption capacity were assessed using time series determinations of uranium adsorption and one-site ligand saturation modeling. Biofouling in sunlight surface seawater has the potential to significantly add substantial biogenic mass to adsorption material when it is exposed for periods greater than 21 days. The observed biomass increase in the light flume was approximately 80% of the adsorbent mass after 42 days

Determination of Adsorption Capacity and Kinetics of Amidoxime-Based Uranium Adsorbent Braided Material in Unfiltered Seawater Using a Flume Exposure System

Energy Technology Data Exchange (ETDEWEB)

Gill, Gary A. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Strivens, Jonathan E. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Park, Jiyeon [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Bonheyo, George T. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Jeters, Robert T. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Schlafer, Nicholas J. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.; Wood, Jordana R. [Pacific Northwest National Lab. (PNNL), Sequim, WA (United States). Marine Sciences Lab.

2015-08-31

PNNL has developed a recirculating flume system for exposing braided adsorbent material to natural seawater under realistic temperature and flow-rate exposure conditions. The flumes are constructed of transparent acrylic material; they allow external light to pass into the flumes and permit photosynthetic growth of naturally present marine organisms (biofouling). Because the system consists of two flumes, replicate experiments can be conducted in which one of the flumes can be manipulated relative to the other. For example, one flume can be darkened to eliminate light exposure by placing a black tarp over the flume such that dark/light experiments can be conducted. Alternatively, two different braided adsorbents can be exposed simultaneously with no potential cross contamination issues. This report describes the first use of the PNNL flume system to study the impact of biofouling on adsorbent capacity. Experiments were conducted with the ORNL AI8 braided adsorbent material in light-exposed and darkened flumes for a 42-day exposure experiment. The major objective of this effort is to develop a system for the exposure of braided adsorbent material to unfiltered seawater, and to demonstrate the system by evaluating the performance of adsorption material when it is exposed to natural marine biofouling as it would be when the technology is used in the marine environment. Exposures of amidoxime-based polymeric braid adsorbents prepared by Oak Ridge Natural Laboratory (ORNL) were exposed to ambient seawater at 20°C in a flume system. Adsorption kinetics and adsorption capacity were assessed using time series determinations of uranium adsorption and one-site ligand saturation modeling. Biofouling in sunlight surface seawater has the potential to significantly add substantial biogenic mass to adsorption material when it is exposed for periods greater than 21 days. The observed biomass increase in the light flume was approximately 80% of the adsorbent mass after 42 days

Assessment of the adsorptive capacity of the Kaolin deposit targeting its use on the removal of colors in aqueous solution

International Nuclear Information System (INIS)

Matos, S.C.; Hildebrando, E.A.

2016-01-01

The Amazonic region has large and valuable kaolin deposits. The state of Para by itself comprises three large industries which process kaolin. It has been noticed that the waste resulting from the processing of kaolin is rich in silico-aluminate, presenting potential in adsorption processes. Thus, this research's objective is to assess the kaolin waste produced during the processing phase, aiming at its application as low cost adsorbent material. For that, the kaolin waste has been characterized by X-ray diffraction and chemical analysis (XRF), and then sieved and calcined at 700 ° C, being then subjected to the adsorption process and observed qualitatively its capacity of retention by methylene blue (AM). Preliminary results show that the kaolin waste has satisfactory adsorption capacity at concentrations of up to 50.0 mg / MP, demonstrating the potential that it be used in the removal of dyes in wastewater treatment. (author)

Effective Microporosity for Enhanced Adsorption Capacity of Cr (VI) from Dilute Aqueous Solution: Isotherm and Kinetics

OpenAIRE

Lloyd Mukosha; Maurice S. Onyango; Aoyi Ochieng; John Siame

2017-01-01

The adsorbent pore structure significant to enhanced adsorption capacity of Cr (VI) from dilute aqueous solution is evaluated. As reference, low-cost micro-mesoporous activated carbon (AC) of high basicity, mesoporosity centred about 2.4 nm, and effective microporosity centred about 0.9 nm was tested for removal of Cr (VI) from dilute aqueous solution in batch mode. At pH 2 the low-cost AC exhibited highly improved Langmuir Cr (VI) capacity of 115 mg/g which was competitive to high performanc...

Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test

International Nuclear Information System (INIS)

Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

2013-01-01

Highlights: • Equilibrium test was attempted to evaluate adsorption characteristics of siloxane. • L2 had higher removal efficiency in carbon compared to noncarbon adsorbents. • Total adsorption capacity of siloxane was 300 mg/g by coal activated carbon. • Adsorption characteristics rely on size of siloxane molecule and adsorbent pore. • Conversion of siloxane was caused by adsorption of noncarbon adsorbents. - Abstract: Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane

Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test

Energy Technology Data Exchange (ETDEWEB)

Nam, Sangchul; Namkoong, Wan [Department of Environmental Engineering, Konkuk University, Hwayang-Dong, Gwangjin-Gu, Seoul 143-701 (Korea, Republic of); Kang, Jeong-Hee; Park, Jin-Kyu [Department of Environmental Engineering, Anyang University, Anyang 5-Dong, Manan-Gu, Anyang-Si, Gyeonggi-Do 430-714 (Korea, Republic of); Lee, Namhoon, E-mail: nhlee@anyang.ac.kr [Department of Environmental Engineering, Anyang University, Anyang 5-Dong, Manan-Gu, Anyang-Si, Gyeonggi-Do 430-714 (Korea, Republic of)

2013-10-15

Highlights: • Equilibrium test was attempted to evaluate adsorption characteristics of siloxane. • L2 had higher removal efficiency in carbon compared to noncarbon adsorbents. • Total adsorption capacity of siloxane was 300 mg/g by coal activated carbon. • Adsorption characteristics rely on size of siloxane molecule and adsorbent pore. • Conversion of siloxane was caused by adsorption of noncarbon adsorbents. - Abstract: Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane.

Highly Efficient Adsorption of Copper Ions by a PVP-Reduced Graphene Oxide Based On a New Adsorptions Mechanism

Institute of Scientific and Technical Information of China (English)

Yongji Zhang; HuiJuan Chi; WenHui Zhang; Youyi Sun; Qing Liang; Yu Gu; Riya Jing

2014-01-01

Polyvinylpyrrolidone-reduced graphene oxide was prepared by modified hummers method and was used as adsorbent for removing Cu ions from wastewater. The effects of contact time and ions concentration on adsorption capacity were examined. The maximum adsorption capacity of 1689 mg/g was observed at an initial p H value of 3.5 after agitating for 10 min. It was demonstrated that polyvinylpyrrolidone-reduced graphene oxide had a huge adsorption capacity for Cu ions, which was 10 times higher than maximal value reported in previous works. The adsorption mechanism was also discussed by density functional theory. It demonstrates that Cu ions are attracted to surface of reduced graphene oxide by C atoms in reduced graphene oxide modified by polyvinylpyrrolidone through physisorption processes, which may be responsible for the higher adsorption capacity. Our results suggest that polyvinylpyrrolidone-reduced graphene oxide is an effective adsorbent for removing Cu ions in wastewater. It also provides a new way to improve the adsorption capacity of reduced graphene oxide for dealing with the heavy metal ion in wastewater.

Hydrogen storage property of nanoporous carbon aerogels

International Nuclear Information System (INIS)

Shen Jun; Liu Nianping; Ouyang Ling; Zhou Bin; Wu Guangming; Ni Xingyuan; Zhang Zhihua

2011-01-01

Carbon aerogels were prepared from resorcinol and formaldehyde via sol-gel process, high temperature carbonization and atmospheric pressure drying technology with solvent replacement. By changing the resorcinol-sodium carbonate molar ratio and the mass fraction of the reactants,resorcinol and formaldehyde, the pore structure of carbon aerogels can be controlled and the palladium-doped carbon aerogels were prepared.By transmission electron microscopy (TEM), X-ray diffraction (XRD) spectra, it is confirmed that the Pd exists in the skeleton structure of carbon aerogels as a form of nano simple substance pellet. The specific surface area is successfully raised by 2 times, and palladium-doped carbon aerogels with a specific surface area of 1 273 m 2 /g have been obtained by carrying out the activation process as the post-processing to the doped carbon aerogels. The hydrogen adsorption results show that the saturated hydrogen storage mass fraction of the carbon aerogels with the specific surface area of 3 212 m 2 /g is 3% in the condition of 92 K, 3.5 MPa, and 0.84% in the condition of 303 K, 3.2 MPa. In addition, the hydrogen adsorption test of palladium-doped carbon aerogels at room temperature (303 K) shows that the total hydrogen storage capacity of doped carbon aerogels is declined due to the relative small specific surface, but the hydrogen storage of unit specific surface area is enhanced. (authors)

Effect of active zinc oxide dispersion on reduced graphite oxide for hydrogen sulfide adsorption at mid-temperature

Energy Technology Data Exchange (ETDEWEB)

Song, Hoon Sub [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Greenhouse Gas Department, Korea Institute of Energy Research, 152 Gajeong-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of); Park, Moon Gyu [Department of Chemical Engineering Education, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 305-764 (Korea, Republic of); Croiset, Eric, E-mail: ecroiset@uwaterloo.ca [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Chen, Zhongwei [Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario, N2L3G1 (Canada); Nam, Sung Chan; Ryu, Ho-Jung [Greenhouse Gas Department, Korea Institute of Energy Research, 152 Gajeong-ro, Yuseong-gu, Daejeon, 305-343 (Korea, Republic of); Yi, Kwang Bok, E-mail: cosy32@cnu.ac.kr [Department of Chemical Engineering Education, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 305-764 (Korea, Republic of)

2013-09-01

Composites of Zinc oxide (ZnO) with reduced graphite oxide (rGO) were synthesized and used as adsorbents for hydrogen sulfide (H{sub 2}S) at 300 °C. Various characterization methods (TGA, XRD, FT-IR, TEM and XPS) were performed in order to link their H{sub 2}S adsorption performance to the properties of the adsorbent's surface. Microwave-assisted reduction process of graphite oxide (GO) provided mild reduction environment, allowing oxygen-containing functional groups to remain on the rGO surface. It was confirmed that for the ZnO/rGO synthesize using the microwave-assisted reduction method, the ZnO particle size and the degree of ZnO dispersion remained stable over time at 300 °C, which was not the case for only the ZnO particles themselves. This stable highly dispersed feature allows for sustained high surface area over time. This was confirmed through breakthrough experiments for H{sub 2}S adsorption where it was found that the ZnO/rGO composite showed almost four times higher ZnO utilization efficiency than ZnO itself. The effect of the H{sub 2} and CO{sub 2} on H{sub 2}S adsorption was also investigated. The presence of hydrogen in the H{sub 2}S stream had a positive effect on the removal of H{sub 2}S since it allows a reducing environment for Zn-O and Zn-S bonds, leading to more active sites (Zn{sup 2+}) to sulfur molecules. On the other hand, the presence of carbon dioxide (CO{sub 2}) showed the opposite trend, likely due to the oxidation environment and also due to possible competitive adsorption between H{sub 2}S and CO{sub 2}.

Selective gettering of hydrogen in high pressure metal iodide lamps

International Nuclear Information System (INIS)

Kuus, G.

1976-01-01

One of the main problems in the manufacture of high pressure gas discharge lamps is the elimination of gaseous impurities from their arc tubes. Long degassing processes of all the lamp components are necessary in order to produce lamps with a low ignition voltage and good maintenance of the radiation properties. The investigation described deals with a selective getter place in the arc tube which can replace the long degassing process. The getter consists of a piece of yttrium encapsulated in thin tantalum foil. By this way it is possible to use the gettering action of tantalum and yttrium without having reaction between the metal iodide of the arc tube and yttrium. Yttrium is used because this metal can adsorb a large quantity of hydrogen even at a temperature of 1000 0 C. Hydrogen forms the main gaseous impurity in the high pressure metal iodide lamp. For this reason the adsorption properties like adsorption rate and capacity of the tantalum--yttrium getter for hydrogen are examined, and the results obtained from lamp experiments are given

Uranium(VI) adsorption properties of a chelating resin containing polyamine-substituted methylphosphonic acid moiety

International Nuclear Information System (INIS)

Matsuda, Masaaki; Akiyoshi, Yoshirou

1991-01-01

Uranium(VI) adsorption and desorption properties of a chelating resin containing polyamine-substituted methylphosphonic acid moiety of 2.29 mmol/g-resin (APA) were examined. Uranium(VI) adsorption properties of several ion exchange resins and extractant agents which were known as excellent adsorbents for uranium(VI), were examined together for a comparison with those of APA. Uranium(VI) adsorption capacity of APA at the concentration of 100 mg·dm -3 -uranium(VI) in 100 g·dm -3 -H 2 SO 4 aq. soln., 190 g·dm -3 -H 3 PO 4 aq. soln. and uranium enriched sea water, was 0.2, 0.05 and 0.05 mmol·g -1 respectively. The adsorption capacity of APA for uranium(VI) in these solutions was larger than that of another adsorbents, except the adsorption of uranium(VI) in enriched sea water on ion exchange resin containing phosphoric acid moiety (adsorption capacity ; 0.2 mmol·g -1 ). Uranium(VI) adsorption rate on APA was high and the relation between treatment time (t : min) and uranium(VI) concentration (y : mg·dm -3 ) in 100 g·dm -3 H 2 SO 4 aq. soln. after treatment, was shown as following equation, y=20 0.048t+1.90 (0≤t≤30). The adsorbed uranium(VI) on APA was able to be eluted with a mixed aq. soln. of hydrogen peroxide and sodium hydroxide and also was able to be eluted with an aq. alkaline soln. dissolved reduction agents such as sodium sulfite and hydrazine. From these results, it was thought that uranium(VI) adsorbed on APA was eluted due to the reduction to uranium(VI) by these eluents. (author)

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

Science.gov (United States)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

A one-step thermal decomposition method to prepare anatase TiO{sub 2} nanosheets with improved adsorption capacities and enhanced photocatalytic activities

Energy Technology Data Exchange (ETDEWEB)

Li, Wenting; Shang, Chunli; Li, Xue, E-mail: chm_lix@ujn.edu.cn

2015-12-01

Highlights: • Anatase TiO{sub 2} nanosheets (NSs) with high surface area have been prepared. • Only one type of surfactant, oleylamine (OM), is used as capping agents. • TiO{sub 2} NSs possess high adsorption capacities MB and high photocatalytic activity. - Abstract: Anatase TiO{sub 2} nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO{sub 2} NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N{sub 2} adsorption analysis, UV–vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO{sub 2} NSs possess high surface area up to 378 m{sup 2} g{sup −1}. The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO{sub 2} NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO{sub 2} NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage

Energy Technology Data Exchange (ETDEWEB)

Pfeifer, Peter [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Gillespie, Andrew [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Stalla, David [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics; Dohnke, Elmar [Univ. of Missouri, Columbia, MO (United States). Dept. of Physics

2017-02-20

The purpose of the project “Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage” is the development of materials that store hydrogen (H₂) by adsorption in quantities and at conditions that outperform current compressed-gas H₂ storage systems for electric power generation from hydrogen fuel cells (HFCs). Prominent areas of interest for HFCs are light-duty vehicles (“hydrogen cars”) and replacement of batteries with HFC systems in a wide spectrum of applications, ranging from forklifts to unmanned areal vehicles to portable power sources. State-of-the-art compressed H₂ tanks operate at pressures between 350 and 700 bar at ambient temperature and store 3-4 percent of H₂ by weight (wt%) and less than 25 grams of H₂ per liter (g/L) of tank volume. Thus, the purpose of the project is to engineer adsorbents that achieve storage capacities better than compressed H₂ at pressures less than 350 bar. Adsorption holds H₂ molecules as a high-density film on the surface of a solid at low pressure, by virtue of attractive surface-gas interactions. At a given pressure, the density of the adsorbed film is the higher the stronger the binding of the molecules to the surface is (high binding energies). Thus, critical for high storage capacities are high surface areas, high binding energies, and low void fractions (high void fractions, such as in interstitial space between adsorbent particles, “waste” storage volume by holding hydrogen as non-adsorbed gas). Coexistence of high surface area and low void fraction makes the ideal adsorbent a nanoporous monolith, with pores wide enough to hold high-density hydrogen films, narrow enough to minimize storage as non-adsorbed gas, and thin walls between pores to minimize the volume occupied by solid instead of hydrogen. A monolith can be machined to fit into a rectangular tank (low pressure, conformable tank), cylindrical tank

Optimization of the elaboration conditions of an adsorber for the hydrogen storage; Optimisation des conditions d'elaboration d'un adsorbant pour le stockage d'hydrogene

Energy Technology Data Exchange (ETDEWEB)

Fierro, V.; Mareche, J.F.; Furdin, G. [Nancy-1 Univ. Henri Poincare, UMR - CNRS 7555, Laboratoire de Chimie du Solide Mineral, 54 - Vandoeuvre-les-Nancy (France); Szczurek, A.; Albiniak, A. [Wroclaw Univ. of Technology, Laboratory for Lignites and Carbon Adsorbents, Institute of Chemistry and Technology of Petroleum and Coal (Poland); Latroche, M. [Chimie Metallurgique des Terres Rares, ICMPE, UMR 7182, CNRS, 94 - Thiais (France); Celzard, A. [Nancy-Univ., ENSTIB, Laboratoire de Chimie du Solide Mineral, UMR CNRS 7555, 88 - Epinal (France)

2008-07-01

The microporous carbon are very efficient adsorbents for the hydrogen storage, because of pores size under 2 nm. This study describes the optimization of the elaboration conditions for a carbon adsorbent for the hydrogen storage by adsorption. The storage capacity has been measured at 25 C for 20 MPa and also at 77 K for pressures between 6 and 9 MPa. the porous texture characterization has been realized by four molecule probes of increasing diameter: CO{sub 2}, N{sub 2}, C{sub 6}H{sub 6} and CCl{sub 4}. (A.L.B.)

Amine-tethered solid adsorbents coupling high adsorption capacity and regenerability for CO2 capture from ambient air.

Science.gov (United States)

Choi, Sunho; Gray, McMahan L; Jones, Christopher W

2011-05-23

Silica supported poly(ethyleneimine) (PEI) materials are prepared via impregnation and demonstrated to be promising adsorbents for CO(2) capture from ultra-dilute gas streams such as ambient air. A prototypical class 1 adsorbent, containing 45 wt% PEI (PEI/silica), and two new modified PEI-based aminosilica adsorbents, derived from PEI modified with 3-aminopropyltrimethoxysilane (A-PEI/silica) or tetraethyl orthotitanate (T-PEI/silica), are prepared and characterized by using thermogravimetric analysis and FTIR spectroscopy. The modifiers are shown to enhance the thermal stability of the polymer-oxide composites, leading to higher PEI decomposition temperatures. The modified adsorbents present extremely high CO(2) adsorption capacities under conditions simulating ambient air (400 ppm CO(2) in inert gas), exceeding 2 mol(CO (2)) kg(sorbent)(-1), as well as enhanced adsorption kinetics compared to conventional class 1 sorbents. The new adsorbents show excellent stability in cyclic adsorption-desorption operations, even under dry conditions in which aminosilica adsorbents are known to lose capacity due to urea formation. Thus, the adsorbents of this type can be considered promising materials for the direct capture of CO(2) from ultra-dilute gas streams such as ambient air. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Adsorption and desorption for dynamics transport of hexavalent chromium Cr(Ⅵ) in soil column

Science.gov (United States)

Tong, J.

2017-12-01

Batch experiments have been carried out to study the adsorption of heavy metals in soils, and the migration and transformation of hexavalent chromium Cr(Ⅵ) in the soil of a vegetable base were studied by dynamic adsorption and desorption soil column experiments. The aim of this study was to investigate the effect of initial concentration and pH value on the adsorption process of Cr(Ⅵ). Breakthrough curve were used to evaluate the capacity of Cr(Ⅵ) adsorption in soil columns. The results show that the higher the initial concentration, the worse the adsorption capacity of Cr(Ⅵ). The adsorption of Cr(Ⅵ) was strongly sensitive to pH value. The capacity of Cr(Ⅵ) adsorption is maximized at very low pH value. This may be due to changes in pH that cause a series of complex reactions in Cr(Ⅵ). In a strongly acidic environment, the reaction of Cr(Ⅵ) with hydrogen ions is accompanied by the formation of Cr3+, which reacts with the soil free iron-aluminum oxide to produce hydroxide in the soil. The results of the desorption experiments indicate that Cr(Ⅵ) is more likely to leach from this soil, but if the eluent is strong acid solution, the leaching process will be slow and persistent. The program CXTFIT was used to fit the breakthrough curve to estimate parameters. The results of the calculation of the dispersion coefficient (D) can be obtained by this program. The two-site model fit the breakthrough curve data of Cr(Ⅵ) well, and the parameters calculated by CXTFIT can be used to explain the behavior of Cr(Ⅵ) migration and transformation in soil columns. When pH=2, the retardation factor (R) reach at 79.71 while the value of the R is generally around 10 in other experiments. The partitioning coefficient β shows that more than half of the adsorption sites are rate-limited in this adsorption process and non-equilibrium effects the Cr(Ⅵ) transport process in this soil.

Effects of hydrogen adsorption on the properties of double wall BN and (BN){sub x}C{sub y} nanotubes

Energy Technology Data Exchange (ETDEWEB)

Freitas, A. [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Azevedo, S., E-mail: sazevedo@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, 58059-900 João Pessoa, PB (Brazil); Kaschny, J.R. [Instituto Federal da Bahia – Campus Vitoria da Conquista, Avenida Amazonas 3150, 45030-220 Vitória da Conquista, BA (Brazil)

2016-01-15

In the present contribution, we apply first-principles calculations, based on the density functional theory, to study the effects of hydrogen adsorption on the structural and electronic properties of boron nitride and hybrid carbon–boron nitride double wall nanotubes. The results demonstrate that the hydrogen decoration induces significant structural deformation and an appreciable reduction in the gap energy. When the number of hydrogen atoms introduced on the outer wall is increased, desorption of hydrogen pairs are observed. The calculations indicate that each adsorbed hydrogen atom induces a structural deformation with an energetic cost of about 68 meV/atom. It is also found that the introduction of hydrogen atoms can be applied as an efficient tool for tuning the electronic properties of such structures. - Graphical abstract: Localized density of states of a hydrogenated double wall boron nitride nanotube. Some hydrogen pairs are desorbed, forming H{sub 2} molecules. - Highlights: • Hydrogenation induces structural deformation and reduction in the gap energy. • Each H atom induces a deformation with an energetic cost of about 68 meV/atom. • In some cases, desorption of H pairs from the outer wall is observed.

A hydrogen-ferric ion rebalance cell operating at low hydrogen concentrations for capacity restoration of iron-chromium redox flow batteries

Science.gov (United States)

Zeng, Y. K.; Zhao, T. S.; Zhou, X. L.; Zou, J.; Ren, Y. X.

2017-06-01

To eliminate the adverse impacts of hydrogen evolution on the capacity of iron-chromium redox flow batteries (ICRFBs) during the long-term operation and ensure the safe operation of the battery, a rebalance cell that reduces the excessive Fe(III) ions at the positive electrolyte by using the hydrogen evolved from the negative electrolyte is designed, fabricated and tested. The effects of the flow field, hydrogen concentration and H2/N2 mixture gas flow rate on the performance of the hydrogen-ferric ion rebalance cell have been investigated. Results show that: i) an interdigitated flow field based rebalance cell delivers higher limiting current densities than serpentine flow field based one does; ii) the hydrogen utilization can approach 100% at low hydrogen concentrations (≤5%); iii) the apparent exchange current density of hydrogen oxidation reaction in the rebalance cell is proportional to the square root of the hydrogen concentration at the hydrogen concentration from 1.3% to 50%; iv) a continuous rebalance process is demonstrated at the current density of 60 mA cm-2 and hydrogen concentration of 2.5%. Moreover, the cost analysis shows that the rebalance cell is just approximately 1% of an ICRFB system cost.

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.

Characterization of the cation-binding capacity of a potassium-adsorption filter used in red blood cell transfusion.

Science.gov (United States)

Suzuki, Takao; Muto, Shigeaki; Miyata, Yukio; Maeda, Takao; Odate, Takayuki; Shimanaka, Kimio; Kusano, Eiji

2015-06-01

A K(+) -adsorption filter was developed to exchange K(+) in the supernatant of stored irradiated red blood cells with Na(+) . To date, however, the filter's adsorption capacity for K(+) has not been fully evaluated. Therefore, we characterized the cation-binding capacity of this filter. Artificial solutions containing various cations were continuously passed through the filter in 30 mL of sodium polystyrene sulfonate at 10 mL/min using an infusion pump at room temperature. The cation concentrations were measured before and during filtration. When a single solution containing K(+) , Li(+) , H(+) , Mg(2+) , Ca(2+) , or Al(3+) was continuously passed through the filter, the filter adsorbed K(+) and the other cations in exchange for Na(+) in direct proportion to the valence number. The order of affinity for cation adsorption to the filter was Ca(2+) >Mg(2+) >K(+) >H(+) >Li(+) . In K(+) -saturated conditions, the filter also adsorbed Na(+) . After complete adsorption of these cations on the filter, their concentration in the effluent increased in a sigmoidal manner over time. Cations that were bound to the filter were released if a second cation was passed through the filter, despite the different affinities of the two cations. The ability of the filter to bind cations, especially K(+) , should be helpful when it is used for red blood cell transfusion at the bedside. The filter may also be useful to gain a better understanding of the pharmacological properties of sodium polystyrene sulfonate. © 2015 The Authors. Therapeutic Apheresis and Dialysis © 2015 International Society for Apheresis.

Adsorption of Reactive Brilliant Red X-3B in Aqueous Solutions on Clay–Biochar Composites from Bagasse and Natural Attapulgite

Directory of Open Access Journals (Sweden)

Si Chen

2018-05-01

Full Text Available The study aims to determine the adsorption mechanism of reactive brilliant red X-3B (RBR on a novel low-cost clay–biochar composite with different proportions of bagasse and natural attapulgite (ATP. Pure bagasse, pure ATP, and two mixtures with weight ratios of 1:5 and 1:3 were pyrolyzed at 700 °C for 4 h in a muffle furnace. Biochar samples were characterized with an element analyzer and by scanning electron microscopy, X-ray diffraction, Fourier transform infrared, X-ray photoelectron spectroscopy, Brunauer–Emmett–Teller method, and zeta potential measurement. Results of the batch and leaching experiments showed that the adsorption capacities followed the order of 1:3 clay–biochar > 1:5 clay–biochar > bagasse biochar > pure ATP. Furthermore, ATP and bagasse exerted a synergistic effect on the adsorption of RBR. The adsorption data showed good correlation with the Langmuir isotherm, and the kinetic data were fitted to the pseudo-second-order model. The adsorption of RBR on clay-biochar involved electrostatic interaction, hydrogen bond, π–π interactions, and surface participation. The modification of biochar by ATP improved the adsorption capacity by increasing functional groups and creating adsorption sites. Therefore, ATP-modified clay–biochar composites could be effective adsorbents for the removal of RBR from wastewater.

Hydrogen storage using microporous carbon materials

International Nuclear Information System (INIS)

Buczek, B.; Wolak, E.

2005-01-01

In the present century hydrogen will lie the most important source of energy and will replace petroleum and petroleum-derived products in the next future. Hydrogen is an almost ideal fuel, both because of its unlimited accessibility and for ecological reasons; the product of its combustion - water vapour - is neither any gaseous contamination nor a component of greenhouse gases. Nowadays hydrogen is applied in industrial processes, but may be also used as a source of house lighting and heating energy, for production of electricity, and as fuel for car engines. Fuel cells, applying reaction between hydrogen and oxygen for production of electricity have been for a long time used in the space technology. Application of hydrogen as fuel should give a possibility of storage and transfer of the high quality energy, i.e. the energy of a high exo-energetic ratio[l]. Due to its low density, one of the main obstacles to the widespread use of hydrogen in energy sector is an efficient storage technology. At present, the methods of hydrogen storage are to liquefy and store in refrigerated containers, which is very expensive, or to store it in high - pressure gas cylinders at room temperature. Unfortunately, low storage density of hydrogen for the latter technique is a significant drawback. Between alternatives have been considered (chemical storage in irreversible hydrogen carriers like methanol or ammonia, reversible metal and chemical hydrides and adsorption in porous media), the latter one seems to be the most promising [2]. Physical adsorption is a method by which more gas can be stored at a lower pressure by means of Van der Waals interactions at the gas solid interface. Adsorptive storage is particularly promising for permanent gases, which need to be stored, transported, or used in ambient temperature. Thanks to the high density of adsorbed phase, adsorptive storage system could allow the storage of a high density of hydrogen at much lower pressures than compression and

Evaluation of physical properties and adsorption capacity of regenerated granular activated carbons (GACs)

International Nuclear Information System (INIS)

Chae, Seon-Ha; Kim, Seong-Su; Park, No-Suk; Jeong, Woochang

2013-01-01

The objectives of this study were to evaluate the variation in physical properties and investigate the adsorption capacity after regeneration of granular activated carbon (GAC). A correlation analysis was conducted to examine the relationship between the iodide number and loss rate. The experimental results showed that the loss rate of regenerated carbon should be related to the usage time of GAC. Physical properties including the effective size and uniformity coefficient were similar to those of virgin GAC. This result indicates that the function of GAC as an adsorption medium may be recovered completely. Although the iodine number and specific surface area of the regenerated GAC were smaller than those of virgin GAC, the cumulative pore volume of the former was larger. The removal efficiency of organic matter from the regenerated GAC column was equal to or slightly higher than that from the virgin GAC column. Consequently, regeneration may increase the number of mesopores which are responsible for the removal of organic matter

Evaluation of physical properties and adsorption capacity of regenerated granular activated carbons (GACs)

Energy Technology Data Exchange (ETDEWEB)

Chae, Seon-Ha; Kim, Seong-Su; Park, No-Suk [Korea Water Resources Corporation, Daejeon (Korea, Republic of); Jeong, Woochang [Kyungnam University, Changwon (Korea, Republic of)

2013-04-15

The objectives of this study were to evaluate the variation in physical properties and investigate the adsorption capacity after regeneration of granular activated carbon (GAC). A correlation analysis was conducted to examine the relationship between the iodide number and loss rate. The experimental results showed that the loss rate of regenerated carbon should be related to the usage time of GAC. Physical properties including the effective size and uniformity coefficient were similar to those of virgin GAC. This result indicates that the function of GAC as an adsorption medium may be recovered completely. Although the iodine number and specific surface area of the regenerated GAC were smaller than those of virgin GAC, the cumulative pore volume of the former was larger. The removal efficiency of organic matter from the regenerated GAC column was equal to or slightly higher than that from the virgin GAC column. Consequently, regeneration may increase the number of mesopores which are responsible for the removal of organic matter.

Hydrogen storage behaviors of Ni-doped graphene Oxide/MIL-101 hybrid composites.

Science.gov (United States)

Lee, Seul-Yi; Park, Soo-Jin

2013-01-01

In this work, Ni-doped graphene oxide/MIL-101 hybrid composites (Ni--GO/MIL) were prepared to investigate their hydrogen storage behaviors. Ni--GO/MIL was synthesized by adding Ni--GO in situ during the synthesis of MIL-101 using a hydrothermal process, which was conducted by conventional convection heating with Cr(III) ion as a metal center and telephthalic acid as organic ligands. The crystalline structures and morphologies were measured by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The specific surface area and micropore volume were investigated by N2/77 K adsorption isotherms using the Brunauer-Emmett-Teller (BET) method and Dubinin-Radushkevic (D-R) equation, respectively. The hydrogen storage capacity was investigated by BEL-HP at 77 K and 1 bar. The obtained results show that Ni--GO/MIL presents new directions for achieving novel hybrid materials with higher hydrogen storage capacity.

Reservoir capacity estimates in shale plays based on experimental adsorption data

Science.gov (United States)

Ngo, Tan

from different measurement techniques using representative fluids (such as CH4 and CO2) at elevated pressures, and the adsorbed density can range anywhere between the liquid and the solid state of the adsorbate. Whether these discrepancies are associated with the inherent heterogeneity of mudrocks and/or with poor data quality requires more experiments under well-controlled conditions. Nevertheless, it has been found in this study that methane GIP estimates can vary between 10-45% and 10-30%, respectively, depending on whether the free or the total amount of gas is considered. Accordingly, CO2 storage estimates range between 30-90% and 15-50%, due to the larger adsorption capacity and gas density at similar pressure and temperature conditions. A manometric system has been designed and built that allows measuring the adsorption of supercritical fluids in microporous materials. Preliminary adsorption tests have been performed using a microporous 13X zeolite and CO 2 as an adsorbing gas at a temperature of 25oC and 35oC and at pressures up to 500 psi. Under these conditions, adsorption is quantified with a precision of +/- 3%. However, relative differences up to 15-20% have been observed with respect to data published in the literature on the same adsorbent and at similar experimental conditions. While it cannot be fully explained with uncertainty analysis, this discrepancy can be reduced by improving experiment practice, thus including the application of a higher adsorbent's regeneration temperature, of longer equilibrium times and of a careful flushing of the system between the various experimental steps. Based on the results on 13X zeolite, virtual tests have been conducted to predict the performance of the manometric system to measure adsorption on less adsorbing materials, such as mudrocks. The results show that uncertainties in the estimated adsorbed amount are much more significant in shale material and they increase with increasing pressure. In fact, relative

Improving the hydrogen production capacity of Rhodobacter capsulatus by genetically modifying redox balancing pathways

Energy Technology Data Exchange (ETDEWEB)

Oeztuerk, Yavuz [TUEBITAK Research Institute for Genetic Engineering and Biotechnology, Gebze Kocaeli (Turkey); Goekce, Abdulmecit [Istanbul Technical Univ. (Turkey). Dept. of Molecular Biology and Genetics; Guergan, Muazzez; Yuecel, Meral [Middle East Technical Univ., Ankara (Turkey). Dept. of Biology

2010-07-01

In Rhodobacter capsulatus, balancing the oxidation-reduction potential (redox-balance) is maintained via a number of inter-dependent regulatory mechanisms that enable these organisms to accommodate divergent growth modes. In order to maintain redox homeostasis, this bacterium possesses regulatory mechanisms functioning as electron sinks affecting the oxidation-reduction state of the ubiquinone pool. Under the photoheterotrophic growth conditions with reduced carbon sources, the excess reducing equivalents are primarily consumed via the reduction of CO{sub 2} through the Calvin-Benson-Bassham (CBB) pathway or by the reduction of protons into hydrogen with the use of dinitrogenase enzyme system. In this study, our aim was to develop strategies to funnel the excess reducing equivalents to nitrogenase-dependent hydrogen production by blocking the carbon-fixation pathway. To realize this purpose, CO{sub 2} fixation was blocked by inactivating the Phosphoribulokinase (PRK) of CBB pathway in wild type (MT1131), uptake-hydrogenase (YO3) and cyt cbb{sub 3} oxidase deficient (YO4) strains. The hydrogen production capacity of newly generated strains deficient in the Calvin-Benson-Bassham pathway were analyzed and compared with wild type strains. The results indicated that, the hydrogen production efficiency and capacity of R. capsulatus was further improved by directing the excess reducing equivalents to dinitrogenase-dependent hydrogen production. (orig.)

Hydrogen production through small capacity water electrolysis systems; Production d'hydrogene par electrolyse de l'eau. Application a des systemes de petite capacite

Energy Technology Data Exchange (ETDEWEB)

Schulz, Ph. [TotalFinaElf, la Defense 6, 92 - Courbevoie (France)

2002-01-01

Less than 1 % of the world's hydrogen is produced by electrolysis of water, in large plants mainly in connection with hydropower. For users requiring extremely pure hydrogen, electrolysis can be a convenient mean of obtaining the required hydrogen quality, where cheap electricity is available. This paper aims at presenting the latest technical developments of small capacity electrolyzers, that could fuel hydrogen cells or internal combustion engines. (author)

Determination of coalbed methane potential and gas adsorption capacity in Western Kentucky coals

Science.gov (United States)

Mardon, S.M.; Takacs, K.G.; Hower, J.C.; Eble, C.F.; Mastalerz, Maria

2006-01-01

The Illinois Basin has not been developed for Coalbed Methane (CBM) production. It is imperative to determine both gas content and other parameters for the Kentucky portion of the Illinois Basin if exploration is to progress and production is to occur in this area. This research is part of a larger project being conducted by the Kentucky Geological Survey to evaluate the CBM production of Pennsylvanian-age western Kentucky coals in Ohio, Webster, and Union counties using methane adsorption isotherms, direct gas desorption measurements, and chemical analyses of coal and gas. This research will investigate relationships between CBM potential and petrographic, surface area, pore size, and gas adsorption isotherm analyses of the coals. Maceral and reflectance analyses are being conducted at the Center for Applied Energy Research. At the Indiana Geological Survey, the surface area and pore size of the coals will be analyzed using a Micrometrics ASAP 2020, and the CO2 isotherm analyses will be conducted using a volumetric adsorption apparatus in a water temperature bath. The aforementioned analyses will be used to determine site specific correlations for the Kentucky part of the Illinois Basin. The data collected will be compared with previous work in the Illinois Basin and will be correlated with data and structural features in the basin. Gas composition and carbon and hydrogen isotopic data suggest mostly thermogenic origin of coalbed gas in coals from Webster and Union Counties, Kentucky, in contrast to the dominantly biogenic character of coalbed gas in Ohio County, Kentucky.

Molecular simulation of methane adsorption characteristics on coal macromolecule

Science.gov (United States)

Yang, Zhiyuan; He, Xiaoxiao; Meng, Zhuoyue; Xue, Wenying

2018-02-01

In this paper, the molecular model of anthracite named Wender2 was selected to study the adsorption behaviour of single component CH4 and the competitive adsorption of CH4/CO2, CH4/H2O and CH4/N2. The molecular model of anthracite was established by molecular simulation software (Materials Studio 8.0), and Grand Canonical Monte Carlo (GCMC) simulations were carried out to investigate the single and binary component adsorption. The effects of pressure and temperature on the adsorption position, adsorption energy and adsorption capacity were mainly discussed. The results show that for the single component adsorption, the adsorption capacity of CH4 increases rapidly with the pressure ascending, and then tends to be stable after the first step. The low temperature is favourable for the adsorption of CH4, and the high temperature promotes desorption quantity of CH4 from the coal. Adsorbent molecules are preferentially adsorbed on the edge of coal macromolecules. The order of adsorption capacity of CH4/CO2, CH4/H2O and CH4/N2 in the binary component is H2O>CO2>CH4>N2. The change of pressure has little effect on the adsorption capacity of the adsorbent in the competitive adsorption, but it has a great influence on the adsorption capacity of the adsorbent, and there is a positive correlation between them.

Metal and proton adsorption capacities of natural and cloned Sphagnum mosses.

Science.gov (United States)

Gonzalez, Aridane G; Pokrovsky, Oleg S; Beike, Anna K; Reski, Ralf; Di Palma, Anna; Adamo, Paola; Giordano, Simonetta; Angel Fernandez, J

2016-01-01

Terrestrial mosses are commonly used as bioindicators of atmospheric pollution. However, there is a lack of standardization of the biomonitoring preparation technique and the efficiency of metal adsorption by various moss species is poorly known. This is especially true for in vitro-cultivated moss clones, which are promising candidates for a standardized moss-bag technique. We studied the adsorption of copper and zinc on naturally grown Sphagnum peat moss in comparison with in vitro-cultivated Sphagnum palustre samples in order to provide their physico-chemical characterization and to test the possibility of using cloned peat mosses as bioindicators within the protocol of moss-bag technique. We demonstrate that in vitro-grown clones of S. palustre exhibit acid-base properties similar to those of naturally grown Sphagnum samples, whereas the zinc adsorption capacity of the clones is approx. twice higher than that of the samples from the field. At the same time, the field samples adsorbed 30-50% higher amount of Cu(2+) compared to that of the clones. This contrast may be related to fine differences in the bulk chemical composition, specific surface area, morphological features, type and abundance of binding sites at the cell surfaces and in the aqueous solution of natural and cloned Sphagnum. The clones exhibited much lower concentration of most metal pollutants in their tissues relative to the natural samples thus making the former better indicators of low metal loading. Overall, in vitro-produced clones of S. palustre can be considered as an adequate, environmentally benign substitution for protected natural Sphagnum sp. samples to be used in moss-bags for atmospheric monitoring. Copyright © 2015 Elsevier Inc. All rights reserved.

A submerged ceramic membrane reactor for the p-nitrophenol hydrogenation over nano-sized nickel catalysts.

Science.gov (United States)

Chen, R Z; Sun, H L; Xing, W H; Jin, W Q; Xu, N P

2009-02-01

The catalytic hydrogenation of p-nitrophenol to p-aminophenol over nano-sized nickel catalysts was carried out in a submerged ceramic membrane reactor. It has been demonstrated that the submerged ceramic membrane reactor is more suitable for the p-nitrophenol hydrogenation over nano-sized nickel catalysts compared with the side-stream ceramic membrane reactor, and the membrane module configuration has a great influence on the reaction rate of p-nitrophenol hydrogenation and the membrane treating capacity. The deactivation of nano-sized nickel is mainly caused by the adsorption of impurity on the surface of nickel and the increase of oxidation degree of nickel.

Nanoporous materials for hydrogen storage and H2/D2 isotope separation

International Nuclear Information System (INIS)

Oh, Hyunchul

2014-01-01

This thesis presents a study of hydrogen adsorption properties at RT with noble metal doped porous materials and an efficient separation of hydrogen isotopes with nanoporous materials. Most analysis is performed via thermal desorption spectra (TDS) and Sieverts-type apparatus. The result and discussion is presented in two parts; Chapter 4 focuses on metal doped nanoporous materials for hydrogen storage. Cryogenic hydrogen storage by physisorption on porous materials has the advantage of high reversibility and fast refuelling times with low heat evolution at modest pressures. At room temperature, however, the physisorption mechanism is not abEle to achieve enough capacity for practical application due to the weak van der Waals interaction, i.e., low isosteric heats for hydrogen sorption. Recently, the ''spillover'' effect has been proposed by R. Yang et al. to enhance the room temperature hydrogen storage capacity. However, the mechanism of this storage enhancement by decoration of noble metal particles inside high surface area supports is not yet fully understood and still under debate. In this chapter, noble metal (Pt / Pd) doped nanoporous materials (i.e. porous carbon, COFs) have been investigated for room temperature hydrogen storage. Their textural properties and hydrogen storage capacity are characterized by various analytic techniques (e.g. SEM, HRTEM, XRD, BET, ICP-OES, Thermal desorption spectra, Sievert's apparatus and Raman spectroscopy). Firstly, Pt-doped and un-doped templated carbons possessing almost identical textural properties were successfully synthesized via a single step wet impregnation method. This enables the study of Pt catalytic activities and hydrogen adsorption kinetics on porous carbons at ambient temperature by TDS after H 2 /D 2 gas exposure and PCT measurement, respectively. While the H 2 adsorption kinetics in the microporous structure is enhanced by Pt catalytic activities (spillover), only a small enhancement of the hydrogen

In silico approach to investigating the adsorption mechanisms of short chain perfluorinated sulfonic acids and perfluorooctane sulfonic acid on hydrated hematite surface.

Science.gov (United States)

Feng, Hongru; Lin, Yuan; Sun, Yuzhen; Cao, Huiming; Fu, Jianjie; Gao, Ke; Zhang, Aiqian

2017-05-01

Short chain perfluorinated sulfonic acids (PFSAs) that were introduced as alternatives for perfluorooctane sulfonic acid (PFOS) have been widely produced and used. However, few studies have investigated the environmental process of short chain PFSAs, and the related adsorption mechanisms still need to be uncovered. The water-oxide interface is one of the major environmental interfaces that plays an important role in affecting the adsorption behaviour and transport potential of the environmental pollutant. In this study, we performed molecular dynamics simulations and quantum chemistry calculations to investigate the adsorption mechanisms of five PFSAs and their adsorption on hydrated hematite surface as well. Different to the vertical configuration reported for PFOS on titanium oxide, all PFSAs share the same adsorption configuration as the long carbon chains parallel to the surface. The formation of hydrogen bonds between F and inter-surface H helps to stabilize the unique configuration. As a result, the sorption capacity increases with increasing C-F chain length. Moreover, both calculated adsorption energy and partial density of states (PDOS) analysis demonstrate a PFSAs adsorption mechanism in between physical and chemical adsorption because the hydrogen bonds formed by the overlap of F (p) orbital and H (s) orbital are weak intermolecular interactions while the physical adsorption are mainly ascribed to the electrostatic interactions. This massive calculation provides a new insight into the pollutant adsorption behaviour, and in particular, may help to evaluate the environmental influence of pollutants. Copyright © 2017. Published by Elsevier Ltd.

High-Capacity Hydrogen-Based Green-Energy Storage Solutions For The Grid Balancing

Science.gov (United States)

D'Errico, F.; Screnci, A.

One of the current main challenges in green-power storage and smart grids is the lack of effective solutions for accommodating the unbalance between renewable energy sources, that offer intermittent electricity supply, and a variable electricity demand. Energy management systems have to be foreseen for the near future, while they still represent a major challenge. Integrating intermittent renewable energy sources, by safe and cost-effective energy storage systems based on solid state hydrogen is today achievable thanks to recently some technology breakthroughs. Optimized solid storage method made of magnesium-based hydrides guarantees a very rapid absorption and desorption kinetics. Coupled with electrolyzer technology, high-capacity storage of green-hydrogen is therefore practicable. Besides these aspects, magnesium has been emerging as environmentally friend energy storage method to sustain integration, monitoring and control of large quantity of GWh from high capacity renewable generation in the EU.

Effects of igneous intrusion on microporosity and gas adsorption capacity of coals in the Haizi Mine, China.

Science.gov (United States)

Jiang, Jingyu; Cheng, Yuanping

2014-01-01

This paper describes the effects of igneous intrusions on pore structure and adsorption capacity of the Permian coals in the Huaibei Coalfield, China. Twelve coal samples were obtained at different distances from a ~120 m extremely thick sill. Comparisons were made between unaltered and heat-affected coals using geochemical data, pore-fracture characteristics, and adsorption properties. Thermal alteration occurs down to ~1.3 × sill thickness. Approaching the sill, the vitrinite reflectance (R(o)) increased from 2.30% to 2.78%, forming devolatilization vacuoles and a fine mosaic texture. Volatile matter (VM) decreased from 17.6% to 10.0% and the moisture decreased from 3.0% to 1.6%. With decreasing distance to the sill, the micropore volumes initially increased from 0.0054 cm(3)/g to a maximum of 0.0146 cm(3)/g and then decreased to 0.0079 cm(3)/g. The results show that the thermal evolution of the sill obviously changed the coal geochemistry and increased the micropore volume and adsorption capacity of heat-affected coal (60-160 m from the sill) compared with the unaltered coals. The trap effect of the sill prevented the high-pressure gas from being released, forming gas pocket. Mining activities near the sill created a low pressure zone leading to the rapid accumulation of methane and gas outbursts in the Haizi Mine.

Effects of Igneous Intrusion on Microporosity and Gas Adsorption Capacity of Coals in the Haizi Mine, China

Science.gov (United States)

2014-01-01

This paper describes the effects of igneous intrusions on pore structure and adsorption capacity of the Permian coals in the Huaibei Coalfield, China. Twelve coal samples were obtained at different distances from a ~120 m extremely thick sill. Comparisons were made between unaltered and heat-affected coals using geochemical data, pore-fracture characteristics, and adsorption properties. Thermal alteration occurs down to ~1.3 × sill thickness. Approaching the sill, the vitrinite reflectance (R o) increased from 2.30% to 2.78%, forming devolatilization vacuoles and a fine mosaic texture. Volatile matter (VM) decreased from 17.6% to 10.0% and the moisture decreased from 3.0% to 1.6%. With decreasing distance to the sill, the micropore volumes initially increased from 0.0054 cm3/g to a maximum of 0.0146 cm3/g and then decreased to 0.0079 cm3/g. The results show that the thermal evolution of the sill obviously changed the coal geochemistry and increased the micropore volume and adsorption capacity of heat-affected coal (60–160 m from the sill) compared with the unaltered coals. The trap effect of the sill prevented the high-pressure gas from being released, forming gas pocket. Mining activities near the sill created a low pressure zone leading to the rapid accumulation of methane and gas outbursts in the Haizi Mine. PMID:24723841

Study of 2D MXene Cr{sub 2}C material for hydrogen storage using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Yadav, A. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dashora, Alpa, E-mail: dashoralpa@gmail.com [UM-DAE Centre for Excellence in Basic Sciences, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Patel, N. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India); Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Miotello, A. [Dipartimento di Fisica, Università degli Studi di Trento, I-38123 Povo, Trento (Italy); Press, M.; Kothari, D.C. [Department of Physics and National Centre for Nanosciences & Nanotechnology, University of Mumbai, Vidyanagari, Santacruz (E), Mumbai 400 098 (India)

2016-12-15

Highlights: • First-principles studies showed that Cr{sub 2}C MXene can store 7.6 wt.% of H{sub 2}. • 6.4 wt.% H{sub 2} can be reversibly stored at ambient temperature. • Charge transfer between H and Cr is responsible for the reversible H{sub 2} adsorption. • H-atom on hollow site between three Cr atoms is the most stable site. - Abstract: Hydrogen storage capacity of 2D MXene Cr{sub 2}C has been studied using density functional theory. Possibility to adsorb H{sub 2} molecule on Cr{sub 2}C surface at various sites has been studied. Among the studied adsorption sites on Cr{sub 2}C surface, few sites were found suitable for chemisorption and physisorption of H{sub 2} molecules. Few of the studied sites are also found to be suitable for Kubas-type interaction, which is useful for reversible hydrogen storage at ambient conditions. Electronic structure calculations and charge transfer analysis have been done to understand the interactions of adsorbed hydrogen with the Cr{sub 2}C layer. It has been found that the total hydrogen storage capacity of Cr{sub 2}C is 7.6 wt.% in which 1.2 wt.% of H is due to the chemisorption, 3.2 wt.% is bonded with Kubas-interaction and remaining 3.2 wt.% is bonded through weak electrostatic interactions (with binding energy of 0.26 eV/H{sub 2} and charge transfer of 0.09 e{sup −} to H atom from Cr atom). Thus the reversible hydrogen storage capacity at ambient conditions (controlled by hydrogen bonded with energies ranging from 0.1 to 0.4 eV/H{sub 2}, in the present case through Kubas and weak electrostatic interactions) is 6.4 wt.% which is greater than the 2017 DoE recommended target value of 5.5 wt.%.

Breakthrough curve of H/sub 2/-Ti-sponge adsorption system

Energy Technology Data Exchange (ETDEWEB)

Yasufuku, K [Kawasaki Heavy Industries Ltd., Kobe (Japan)

1977-11-01

Experimental work concerning H/sub 2/-Ti-sponge adsorption system has been undertaken at Kawasaki Heavy Industry Co. to obtain necessary data for the design of hydrogen removal tower (Ti-sponge trap) to be used as an purification component of a VHTR plant. In this study, the effects of equilibrium curve, H/sub 2/ inlet concentration, and the ratio of the solid-side capacity factor to the gas-side capacity factor on the breakthrough curve were investigated. The Freundlich's equation with the diffusion model of Carter et al. was numerically solved by the Crank-Nicholson method, and the results of calculations are presented. The flow diagram and the photographs of the facilities for He gas purification experiments are also presented.

Capacity enhancement of aqueous borohydride fuels for hydrogen storage in liquids

International Nuclear Information System (INIS)

Schubert, David; Neiner, Doinita; Bowden, Mark; Whittemore, Sean; Holladay, Jamie; Huang, Zhenguo; Autrey, Tom

2015-01-01

Highlights: • Adjusting ratio of Q = Na/B will maximize H 2 storage capacity of liquid carrier. • Mixtures of hydrolysis products are desirable to maximize solubility. • 6.5 wt.% hydrogen and remains liquid from beginning to end. - Abstract: In this work we demonstrate enhanced hydrogen storage capacities through increased solubility of sodium borate product species in aqueous media achieved by adjusting the sodium (NaOH) to boron (B(OH) 3 ) ratio, i.e., M/B, to obtain a distribution of polyborate anions. For a 1:1 mol ratio of NaOH to B(OH) 3 , M/B = 1, the ratio of the hydrolysis product formed from NaBH 4 hydrolysis, the sole borate species formed and observed by 11 B NMR is sodium metaborate, NaB(OH) 4 . When the ratio is 1:3 NaOH to B(OH) 3 , M/B = 0.33, a mixture of borate anions is formed and observed as a broad peak in the 11 B NMR spectrum. The complex polyborate mixture yields a metastable solution that is difficult to crystallize. Given the enhanced solubility of the polyborate mixture formed when M/B = 0.33 it should follow that the hydrolysis of sodium octahydrotriborate, NaB 3 H 8 , can provide a greater storage capacity of hydrogen for fuel cell applications compared to sodium borohydride while maintaining a single phase. Accordingly, the hydrolysis of a 23 wt.% NaB 3 H 8 solution in water yields a solution having the same complex polyborate mixture as formed by mixing a 1:3 M ratio of NaOH and B(OH) 3 and releases >8 eq of H 2 . By optimizing the M/B ratio a complex mixture of soluble products, including B 3 O 3 (OH) 5 2− , B 4 O 5 (OH) 4 2− , B 3 O 3 (OH) 4 − , B 5 O 6 (OH) 4 − and B(OH) 3 , can be maintained as a single liquid phase throughout the hydrogen release process. Consequently, hydrolysis of NaB 3 H 8 can provide a 40% increase in H 2 storage density compared to the hydrolysis of NaBH 4 given the decreased solubility of sodium metaborate

Nanoporous spongy graphene: Potential applications for hydrogen adsorption and selective gas separation

Energy Technology Data Exchange (ETDEWEB)

Kostoglou, Nikolaos, E-mail: nikolaos.kostoglou@stud.unileoben.ac.at [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus); Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, 8700 Leoben (Austria); Constantinides, Georgios [Research Unit for Nanostructured Materials Systems, Department of Mechanical Engineering and Materials Science and Engineering, Cyprus University of Technology, 3036 Lemesos (Cyprus); Charalambopoulou, Georgia; Steriotis, Theodore [National Center for Scientific Research Demokritos, Agia Paraskevi Attikis, 15310 Athens (Greece); Polychronopoulou, Kyriaki [Department of Mechanical Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi (United Arab Emirates); Li, Yuanqing; Liao, Kin [Department of Aerospace Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi (United Arab Emirates); Ryzhkov, Vladislav [Nanotube Production Department, Fibrtec Incorporation, TX, 75551 Atlanta (United States); Mitterer, Christian [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, 8700 Leoben (Austria); Rebholz, Claus, E-mail: claus@ucy.ac.cy [Department of Mechanical and Manufacturing Engineering, University of Cyprus, 1678 Nicosia (Cyprus)

2015-12-01

In the present work, a nanoporous (pore width ~ 0.7 nm) graphene-based sponge-like material with large surface area (~ 350 m{sup 2}/g) was synthesized by wet chemical reduction of graphene oxide in combination with freeze-drying. Surface morphology and elemental composition were studied by scanning and transmission electron microscopy combined with energy dispersive X-ray spectroscopy. Surface chemistry was qualitatively examined by Fourier-transform infrared spectroscopy, while the respective structure was investigated by X-ray diffraction analysis. Textural properties, including Brunauer–Emmet–Teller (BET) surface area, micropore volume and surface area as well as pore size distribution, were deduced from nitrogen gas adsorption/desorption data obtained at 77 K and up to 1 bar. Potential use of the spongy graphene for gas storage and separation applications was preliminarily assessed by low-pressure (0–1 bar) H{sub 2}, CO{sub 2} and CH{sub 4} sorption measurements at different temperatures (77, 273 and 298 K). The adsorption capacities for each gas were evaluated up to ~ 1 bar, the isosteric enthalpies of adsorption for CO{sub 2} (28–33 kJ/mol) and CH{sub 4} (30–38 kJ/mol) were calculated using the Clausius–Clapeyron equation, while the CO{sub 2}/CH{sub 4} gas selectivity (up to 95:1) was estimated using the Ideal Adsorbed Solution Theory (IAST). - Highlights: • Nanoporous sponge produced by chemical reduction of graphene oxide and freeze-drying • Characterization performed using SEM, EDS, TEM, FT-IR, BET and XRD methods • Gas storage performance evaluated towards H{sub 2}, CO{sub 2} and CH{sub 4} adsorption up to 1 bar • CO{sub 2} over CH{sub 4} gas selectivity estimated between 45 and 95 at 273 K using the IAST model.

Nanoporous spongy graphene: Potential applications for hydrogen adsorption and selective gas separation

International Nuclear Information System (INIS)

Kostoglou, Nikolaos; Constantinides, Georgios; Charalambopoulou, Georgia; Steriotis, Theodore; Polychronopoulou, Kyriaki; Li, Yuanqing; Liao, Kin; Ryzhkov, Vladislav; Mitterer, Christian; Rebholz, Claus

2015-01-01

In the present work, a nanoporous (pore width ~ 0.7 nm) graphene-based sponge-like material with large surface area (~ 350 m"2/g) was synthesized by wet chemical reduction of graphene oxide in combination with freeze-drying. Surface morphology and elemental composition were studied by scanning and transmission electron microscopy combined with energy dispersive X-ray spectroscopy. Surface chemistry was qualitatively examined by Fourier-transform infrared spectroscopy, while the respective structure was investigated by X-ray diffraction analysis. Textural properties, including Brunauer–Emmet–Teller (BET) surface area, micropore volume and surface area as well as pore size distribution, were deduced from nitrogen gas adsorption/desorption data obtained at 77 K and up to 1 bar. Potential use of the spongy graphene for gas storage and separation applications was preliminarily assessed by low-pressure (0–1 bar) H_2, CO_2 and CH_4 sorption measurements at different temperatures (77, 273 and 298 K). The adsorption capacities for each gas were evaluated up to ~ 1 bar, the isosteric enthalpies of adsorption for CO_2 (28–33 kJ/mol) and CH_4 (30–38 kJ/mol) were calculated using the Clausius–Clapeyron equation, while the CO_2/CH_4 gas selectivity (up to 95:1) was estimated using the Ideal Adsorbed Solution Theory (IAST). - Highlights: • Nanoporous sponge produced by chemical reduction of graphene oxide and freeze-drying • Characterization performed using SEM, EDS, TEM, FT-IR, BET and XRD methods • Gas storage performance evaluated towards H_2, CO_2 and CH_4 adsorption up to 1 bar • CO_2 over CH_4 gas selectivity estimated between 45 and 95 at 273 K using the IAST model

Adsorption removal of tannic acid from aqueous solution by polyaniline: Analysis of operating parameters and mechanism.

Science.gov (United States)

Sun, Chencheng; Xiong, Bowen; Pan, Yang; Cui, Hao

2017-02-01

Polyaniline (PANI) prepared by chemical oxidation was studied for adsorption removal of tannic acid (TA) from aqueous solution. Batch adsorption studies were carried out under different adsorbent dosages, pH, ionic strength, initial TA concentration and coexisting anions. Solution pH had an important impact on TA adsorption onto PANI with optimal removal in the pH range of 8-11. TA adsorption on PANI at three ionic strength levels (0.02, 0.2 and 2molL -1 NaCl) could be well described by Langmuir model (monolayer adsorption process) and the maximum adsorption capacity was 230, 223 and 1023mgg -1 , respectively. Kinetic data showed that TA adsorption on PANI fitted well with pseudo-second-order model (controlled by chemical process). Among the coexisting anions tested, PO 4 3- significantly inhibited TA adsorption due to the enhancement of repulsive interaction. Continuous flow adsorption studies indicated good flexibility and adaptability of the PANI adsorbent under different flow rates and influent TA concentrations. The mechanism controlling TA adsorption onto PANI under different operating conditions was analyzed with the combination of electrostatic interactions, hydrogen bonding, π-π interactions and Van der Waals interactions. Copyright © 2016 Elsevier Inc. All rights reserved.

Study of algae's adsorption to uranium ion in water solution

International Nuclear Information System (INIS)

Du Yang; Qiu Yongmei; Dan Guiping; Zhang Dong; Lei Jiarong

2007-01-01

The adsorption efficiencies of the algae to uranium ion were determined at various pH, uranium ion concentrations, adsorption temperatures and the species of coexisted metal ions, and the effect of coexisted metal ion on the adsorption efficiency was researched. The experimental results at pH= 5-8 are as follows. 1) the adsorption capacity is a constant to be about 1.40 μg/g for the Yantai red alga and the sea spinach, and is changeable in the range of 1.03-2.23 μg/g with pH for the sea edible fungus; 2) for the algae the adsorption efficiency and adsorption capacity are related to uranium ion concentration, and the maximum adsorption efficiency and capacity is 95.8% and 65.4 μg/g, respectively; 3) the adsorption process for 24 h is not dependent on the temperature; 4) the effect of the species of coexisted metal ions on the adsorption capacity of uranium ion is various with the time during adsorption process. (authors)

Surface analytical investigations of the interaction between the getter material ZrCo and hydrogen and the influence of different contamination gases on the hydrogen storage capacity

International Nuclear Information System (INIS)

Glasbrenner, H.

1991-11-01

In this work the results of surface analytical investigations of the alloy ZrCo used for hydrogen storage as well as of the interaction of the alloy with hydrogen and various contamination gases present in a nuclear fusion reactor will be presented and discussed with respect to the application of ZrCo as getter material for tritium. The characterization of the ZrCo alloy showed that on the surface a stable ZrO 2 -layer is formed, which is, however, inhomogeneous. On the phase boundary solid / gas of samples exposed to hydrogen up to the stoichiometrical composition ZrCoH 2.8 a Co enrichment was observed. If the alloy ZrCo is activated before hydrogen take-up in the same way as other getter materials by heating under vacuum, the hydrogenation occurs faster and nearly complete. Zirconium is the alloy component responsible for the hydrogen storage. If a gas reacts nearly exclusively with the alloy component Co, a smaller decrease in the hydrogen storage capacity will be noticed. By exposition to CO and CO 2 mainly compounds with cobalt are formed. However, if the gas produces compounds with Zr like carbide, nitride, or oxide, the result is a strong decrease of the hydrogen storage capacity of the getter. (orig./MM) [de

High performance hydrogen storage from Be-BTB metal-organic framework at room temperature.

Science.gov (United States)

Lim, Wei-Xian; Thornton, Aaron W; Hill, Anita J; Cox, Barry J; Hill, James M; Hill, Matthew R

2013-07-09

The metal-organic framework beryllium benzene tribenzoate (Be-BTB) has recently been reported to have one of the highest gravimetric hydrogen uptakes at room temperature. Storage at room temperature is one of the key requirements for the practical viability of hydrogen-powered vehicles. Be-BTB has an exceptional 298 K storage capacity of 2.3 wt % hydrogen. This result is surprising given that the low adsorption enthalpy of 5.5 kJ mol(-1). In this work, a combination of atomistic simulation and continuum modeling reveals that the beryllium rings contribute strongly to the hydrogen interaction with the framework. These simulations are extended with a thermodynamic energy optimization (TEO) model to compare the performance of Be-BTB to a compressed H2 tank and benchmark materials MOF-5 and MOF-177 in a MOF-based fuel cell. Our investigation shows that none of the MOF-filled tanks satisfy the United States Department of Energy (DOE) storage targets within the required operating temperatures and pressures. However, the Be-BTB tank delivers the most energy per volume and mass compared to the other material-based storage tanks. The pore size and the framework mass are shown to be contributing factors responsible for the superior room temperature hydrogen adsorption of Be-BTB.

Adsorption of clofibric acid and ketoprofen onto powdered activated carbon: effect of natural organic matter.

Science.gov (United States)

Gao, Yaohuan; Deshusses, Marc A

2011-12-01

The adsorption of two acidic pharmaceutically active compounds (PhACs), clofibric acid and ketoprofen, onto powdered activated carbon (PAC) was investigated with a particular focus on the influence of natural organic matter (NOM) on the adsorption of the PhACs. Suwannee River humic acids (SRHAs) were used as a substitute for NOM. Batch adsorption experiments were conducted to obtain adsorption kinetics and adsorption isotherms with and without SRHAs in the system. The adsorption isotherms and adsorption kinetics showed that the adsorption ofclofibric acid was not significantly affected by the presence of SRHAs at a concentration of 5 mg (as carbon) L(-1). An adsorption capacity of 70 to 140 mg g(-1) was observed and equilibrium was reached within 48 h. In contrast, the adsorption of ketoprofen was markedly decreased (from about 120 mg g(-1) to 70-100 mg g(-1)) in the presence of SRHAs. Higher initial concentrations of clofibric acid than ketoprofen during testing may explain the different behaviours that were observed. Also, the more hydrophobic ketoprofen molecules may have less affinity for PAC when humic acids (which are hydrophilic) are present. The possible intermolecular forces that could account for the different behaviour of clofibric acid and ketoprofen adsorption onto PAC are discussed. In particular, the relevance of electrostatic forces, electron donor-acceptor interaction, hydrogen bonding and London dispersion forces are discussed

Influence of adsorbed carbon dioxide on hydrogen electrosorption in palladium-platinum-rhodium alloys

International Nuclear Information System (INIS)

Lukaszewski, M.; Grden, M.; Czerwinski, A.

2004-01-01

Carbon dioxide electroreduction was applied to examine the processes of hydrogen electrosorption (adsorption, absorption and desorption) by thin electrodeposits of Pd-Pt-Rh alloys under conditions of cyclic voltammetric (CV) experiments. Due to different adsorption characteristics towards the adsorption product of the electroreduction of CO 2 (reduced CO 2 ) exhibited by the alloy components hydrogen adsorption and hydrogen absorption signals can be distinguished on CV curves. Reduced CO 2 causes partial blocking of hydrogen adsorbed on surface Pt and Rh atoms, without any significant effect on hydrogen absorption into alloy. It reflects the fact that adsorbed hydrogen bonded to Pd atoms does not participate in CO 2 reduction, while hydrogen adsorbed on Pt and Rh surface sites is inactive in the absorption reaction. In contrast, CO is adsorbed on all alloy components and causes a marked inhibition of hydrogen sorption (both adsorption and absorption)/desorption reactions

Direct observation of solid-phase adsorbate concentration profile in powdered activated carbon particle to elucidate mechanism of high adsorption capacity on super-powdered activated carbon.

Science.gov (United States)

Ando, Naoya; Matsui, Yoshihiko; Matsushita, Taku; Ohno, Koichi

2011-01-01

Decreasing the particle size of powdered activated carbon (PAC) by pulverization increases its adsorption capacities for natural organic matter (NOM) and polystyrene sulfonate (PSS, which is used as a model adsorbate). A shell adsorption mechanism in which NOM and PSS molecules do not completely penetrate the adsorbent particle and instead preferentially adsorb near the outer surface of the particle has been proposed as an explanation for this adsorption capacity increase. In this report, we present direct evidence to support the shell adsorption mechanism. PAC particles containing adsorbed PSS were sectioned with a focused ion beam, and the solid-phase PSS concentration profiles of the particle cross-sections were directly observed by means of field emission-scanning electron microscopy/energy-dispersive X-ray spectrometry (FE-SEM/EDXS). X-ray emission from sulfur, an index of PSS concentration, was higher in the shell region than in the inner region of the particles. The X-ray emission profile observed by EDXS did not agree completely with the solid-phase PSS concentration profile predicted by shell adsorption model analysis of the PSS isotherm data, but the observed and predicted profiles were not inconsistent when the analytical errors were considered. These EDXS results provide the first direct evidence that PSS is adsorbed mainly in the vicinity of the external surface of the PAC particles, and thus the results support the proposition that the increase in NOM and PSS adsorption capacity with decreasing particle size is due to the increase in external surface area on which the molecules can be adsorbed. Copyright © 2010 Elsevier Ltd. All rights reserved.

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.

Processes of H{sub 2} adsorption on Fe(1 1 0) surface: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Xie, Weiwei; Peng, Liang; Peng, Daoling [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Gu, Feng Long, E-mail: gu@scnu.edu.cn [Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Liu, Jun [Material Design and Simulation Technology Co. Ltd., Room 1716, V-Faction, 10 Vanke, 2 Ring Road of North Section, Chengdu (China)

2014-03-01

Highlights: • The hydrogen coverages for H{sub 2} adsorption on Fe(1 1 0) surface ranging from 0.125 to 1.000 are prepared by using different surface supercells. • With the reduction of coverage, the average iron atomic energy is increased and the adsorption energy is decreased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. • The most stable absorption site is found to be the on-top site. • DFT calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. • The final state is H{sub 2} molecule dissociated into two hydrogen atoms interacting with surface iron atoms to form stable Fe-H bonds. - Abstract: Processes of H{sub 2} adsorption on Fe(1 1 0) surface have been studied by the density functional theory, properties such as surface structure, adsorption position, and adsorption energies are discussed as well. To investigate the atomic geometries and stability under different hydrogen coverages for this adsorption, the hydrogen coverages ranging from 0.125 to 1.000 are prepared by using different surface supercells. It is found that with the reduction of coverage, the average iron atomic energy and the adsorption energy are increased, leading to the system more stable; while coverage has little effect on the Fe(1 1 0) surface structure and the hydrogen adsorption process. The most stable absorption site is found to be the on-top site. Our calculations show that it is a weak adsorption and the adsorption energy barriers under 4.4 kcal/mol. The final state is H{sub 2} molecule dissociated into two hydrogen atoms and interacting with surface iron atoms to form stable Fe-H bonds.