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Adsorption

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https://www.readbyqxmd.com/read/28636684/balanced-work-function-as-a-driver-for-facile-hydrogen-evolution-reaction-comprehension-and-experimental-assessment-of-interfacial-catalytic-descriptor
#1
Aleksandar R Zeradjanin, Ashokanand Vimalanandan, George Polymeros, Angel A Topalov, Karl J J Mayrhofer, Michael Rohwerder
A major step in the development of (electro)catalysis would be the possibility to estimate accurately the energetics of adsorption processes related to reaction intermediates. Computational chemistry (e.g. using DFT) developed significantly in that direction and allowed the fast prediction of (electro)catalytic activity trends and improved the general understanding of adsorption at electrochemical interfaces. However, building a reliable and comprehensive picture of electrocatalytic reactions undoubtedly requires experimental assessment of adsorption energies...
June 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28636381/density-functional-study-of-trimetallic-auxpdyptz-x-y-z-7-clusters-and-their-interactions-with-the-o2-molecule
#2
Shuang Zhao, Bo Zhao, XinZhe Tian, Yun-Lai Ren, Kaisheng Yao, JianJi Wang, JunNa Liu, Yunli Ren
Density functional theory calculations were performed to investigate the structural and energetic properties of trimetallic AuxPdyPtz clusters with x+y+z=7. The possible stable geometrical configurations with their electronic states are determined. We analyze the chemical order, binding energies, vertical ionization potential, electron affinity and HOMO-LUMO gaps as a function of the whole concentration range. The affinity of AuxPdyPtz clusters towards one O2 molecule is also evaluated in terms of the changes in geometry, adsorption energy and charge transfer...
June 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28636330/water-in-ionic-liquid-lubricants-friend-and-foe
#3
Oscar Y Fajardo, Fernando Bresme, Alexei A Kornyshev, Michael Urbakh
To a greater or lesser extent, most room temperature ionic liquids (RTILs) absorb water from humid air. Penetration of water into the lubricating nanoscale film may affect its equilibrium structure and dynamic properties and thus influence the ability of RTILs as lubricants to reduce friction between solid surfaces. Here we investigate the impact of hydration on lubrication using non-equilibrium molecular dynamics simulations. Water adsorption changes both the ionic liquid molecules orientation and the slip conditions at the solid-liquid interfaces, resulting in a reduced resistance against squeezing-out of the lubricant by an external load...
June 21, 2017: ACS Nano
https://www.readbyqxmd.com/read/28636168/improved-hemodialysis-with-hemocompatible-polyethersulfone-hollow-fiber-membranes-in-vitro-performance
#4
Surendra Kumar Verma, Akshay Modi, Atul Kumar Singh, Rohit Teotia, Jayesh Bellare
We show that addition of nanozeolite (NZ) and vitamin E D-α-Tocopherol polyethylene glycol succinate (TPGS or T) considerably improves the performance of polyethersulfone (PES or P) hollow fiber membrane (HFM) for hemodialysis. Nanocomposite HFMs were manufactured using PES as a polymer, TPGS as an additive and NZ as a filler to give a composite membrane called PT-NZ. HFMs were spun by dry-wet spinning principle based on liquid-liquid phase separation. TPGS and NZ were successfully incorporated in HFMs, as confirmed by EDX elemental mapping...
June 21, 2017: Journal of Biomedical Materials Research. Part B, Applied Biomaterials
https://www.readbyqxmd.com/read/28636029/cross-impact-of-surface-and-interaction-anisotropy-in-the-self-assembly-of-organic-adsorption-monolayers-a-monte-carlo-and-transfer-matrix-study
#5
V A Gorbunov, S S Akimenko, A V Myshlyavtsev
Using a simple lattice gas model we study the features of self-assembly in adsorption layers where both "molecule-surface" and "molecule-molecule" interactions are anisotropic. Based on the example of adsorption layers of mono-functional organic molecules on the heterogeneous surface with strip-like topography, we have revealed plenty of possible self-assembled structures in this simple system, such as discrete, linear, zigzag, chess board-like, two-dimensional porous and close-packed patterns. However, the phase behavior of the adsorption layer is much richer, if the interactions between functional and non-functional parts of adjacent adsorbed molecules have comparable strength and opposite signs...
June 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28635380/inorganic-nanoparticles-as-potential-regulators-of-immune-response-in-dendritic-cells
#6
Silvia Fogli, Costanza Montis, Sara Paccosi, Angela Silvano, Elena Michelucci, Debora Berti, Alberto Bosi, Astrid Parenti, Paolo Romagnoli
AIM: The spontaneous adsorption of proteins on nanoparticles (NPs) in biological media is exploited to prepare complexes of NPs and proteins from cancer cells' lysates for application in cancer immunotherapy. MATERIALS & METHODS: Gold (Au) and silica NPs were synthesized, incubated with cancer cells' lysates and characterized. Dendritic cells (DCs) were challenged with protein-coated NPs, their maturation, viability and morphology were evaluated and lymphocytes T proliferation was determined...
June 21, 2017: Nanomedicine
https://www.readbyqxmd.com/read/28635282/fining-of-red-wine-monitored-by-multiple-light-scattering
#7
Giovanna Ferrentino, Mohsen Ramezani, Ksenia Morozova, Daniela Hafner, Ulrich Pedri, Konrad Pixner, Matteo Scampicchio
This work describes a new approach based on multiple light scattering to study red wine clarification processes. The whole spectral signal (1933 backscattering points along the length of each sample vial) were fitted by a multivariate kinetic model that was built with a three-step mechanism, implying: 1) adsorption of wine colloids to fining agents; 2) aggregation into larger particles; 3) sedimentation. Each step is characterized by a reaction rate constant. According to the first reaction, the results showed that gelatin was the most efficient fining agent, concerning the main objective, which was the clarification of the wine, and consequently the increase in its limpidity...
June 21, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28635263/crystalline-nanochannels-with-pendant-azobenzene-groups-steric-or-polar-effects-on-gas-adsorption-and-diffusion
#8
Hubiao Huang, Hiroshi Sato, Takuzo Aida
An azobenzene-containing, zirconium-based metal-organic framework ((Azo)MOF), upon irradiation with ultraviolet (UV) light at 365 ± 10 nm, underwent trans-to-cis isomerization of its azobenzene pendants to furnish the cis-isomer content of 21% ((Azo)MOF(21%)) in 30 min at the photostationary state and underwent backward isomerization into (Azo)MOF(1%) upon either irradiation with visible light (420-480 nm) or heating. When the cis-isomer content increased, the diffusion rate and amount of CO2 adsorbed into the nanochannels of (Azo)MOF decreased considerably...
June 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28635258/mucin-inspired-lubrication-on-hydrophobic-surfaces
#9
Benjamin Tillmann Käsdorf, Florian Weber, Georgia Petrou, Vaibhav Srivastava, Thomas Crouzier, Oliver Lieleg
In the human body, high molecular weight glycoproteins called mucins play a key role in protecting epithelial surfaces against pathogenic attack, controlling the passage of molecules towards the tissue and enabling boundary lubrication with very low friction coefficients. However, neither the molecular mechanisms nor the chemical motifs of those biomacromolecules involved in these fundamental processes are fully understood. Thus, identifying the key features that render biomacromolecules such as mucins outstanding boundary lubricants could set the stage for creating versatile artificial superlubricants...
June 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28634802/alkaline-treated-sawdust-as-an-effective-material-for-cationic-dye-removal-from-textile-effluents-under-dynamic-conditions-breakthrough-curve-prediction-and-mechanism-exploration
#10
Ahmed Amine Azzaz, Salah Jellali, Rahma Souissi, Karim Ergaieg, Latifa Bousselmi
This paper deals with the methylene blue molecule (MB) removal from synthetic and real textile wastewaters by alkali-treated orange tree sawdust (ATOS) under different dynamic conditions. Experimental results showed that MB removal efficiencies by ATOS increased when increasing initial dye concentrations and bed depths but decreased with the increase of the applied flow rates with a maximum adsorption capacity of about 110 mg g(-1). Moreover, various empirical models were applied to predict the experimental breakthrough curves (BTCs) and to determine the characteristic adsorption parameters...
June 21, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28634793/arsenic-sorption-by-red-mud-modified-biochar-produced-from-rice-straw
#11
Chuan Wu, Liu Huang, Sheng-Guo Xue, Yu-Ying Huang, William Hartley, Meng-Qian Cui, Ming-Hung Wong
Red mud-modified biochar (RM-BC) has been produced to be utilized as a novel adsorbent to remove As because it can effectively combine the beneficial features of red mud (rich metal oxide composition and porous structure) and biochar (large surface area and porous structure properties). SEM-EDS and XRD analyses demonstrated that red mud had loaded successfully on the surface of biochar. With the increasing of pH in solution, arsenate (As(V)) adsorption on RM-BC decreased while arsenite (As(III)) increased. Arsenate adsorption kinetics process on RM-BC fitted the pseudo-second-order model, while that of As(III) favored the Elovich model...
June 20, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28634610/efficiently-mapping-structure-property-relationships-of-gas-adsorption-in-porous-materials-application-to-xe-adsorption
#12
A R Kaija, C E Wilmer
Designing better porous materials for gas storage or separations applications frequently leverages known structure-property relationships. Reliable structure-property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large...
June 21, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28634386/shape-and-composition-control-of-monodisperse-hybrid-pt-coo-nanocrystals-by-controlling-the-reaction-kinetics-with-additives
#13
Hyunje Woo, Eunji Kim, Jun-Hyuk Kim, Su-Won Yun, Ji Chan Park, Yong-Tae Kim, Kang Hyun Park
Here, we report the effect of Fe(CO)5 additives in the synthesis of branched Pt-CoO nanowires (NWs) and core@shell concave nanocubes (NCs), in a one-pot system. Key to the success of this synthesis is control over the shape of the Pt seeds by controlling the quantity of Fe(CO)5 additive. In the absence of Fe(CO)5, branched Pt-CoO NWs were synthesized through the attachment of small Pt seed particles, followed by the growth of CoO by deposition. On the other hand, Pt@CoO concave NCs were obtained in the presence of Fe(CO)5 because of the stronger adsorption of Co on the Pt (100) surfaces than on the closely packed (111) surfaces...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28634368/preparation-and-properties-of-a-hyperbranch-structured-polyamine-adsorbent-for-carbon-dioxide-capture
#14
Hui He, Yajie Hu, Shuixia Chen, Linzhou Zhuang, Beibei Ma, Qinghua Wu
A fibrous adsorbent with amino-terminated hyperbranch structure (PP-AM-HBP-NH2) was prepared by grafting hyperbranched polyamine (HBP-NH2) onto the acrylamide-modified polypropylene (PP) fibers. The grafting of AM on PP fibers provided the active sites for introducing HBP-NH2 onto the PP fibers. This kind of "grafting to" procedure to synthesize hyperbranch-structured fiber could overcome the disadvantages of stepwise growth procedure, avoiding the complicated synthesis process and the requirement of strict experimental conditions...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28634335/ordered-hydroxyls-on-ca3ru2o7-001
#15
Daniel Halwidl, Wernfried Mayr-Schmölzer, David Fobes, Jin Peng, Zhiqiang Mao, Michael Schmid, Florian Mittendorfer, Josef Redinger, Ulrike Diebold
As complex ternary perovskite-type oxides are increasingly used in solid oxide fuel cells, electrolysis and catalysis, it is desirable to obtain a better understanding of their surface chemical properties. Here we report a pronounced ordering of hydroxyls on the cleaved (001) surface of the Ruddlesden-Popper perovskite Ca3Ru2O7 upon water adsorption at 105 K and subsequent annealing to room temperature. Density functional theory calculations predict the dissociative adsorption of a single water molecule (E ads = 1...
June 20, 2017: Nature Communications
https://www.readbyqxmd.com/read/28634126/biosorption-of-high-concentration-cu-ii-by-periphytic-biofilms-and-the-development-of-a-fiber-periphyton-bioreactor-fpbr
#16
Junzhuo Liu, Fengwu Wang, Wantong Wu, Juanjuan Wan, Jiali Yang, Sulin Xiang, Yonghong Wu
In this study, a kind of microbial aggregates: periphytic biofilms were used for Cu removal and immobilized onto fiber for developing a novel bioreactor. Results show that periphyton can effectively entrap Cu at initial concentrations of 2-20mgL(-1) due to the overproduction of EPS and porous structure of periphyton, and biosorption was the primary mechanism of Cu removal. Cu (mainly Cu3(OH)4(2+), Cu2(OH)2(2+) and Cu(2+)) adsorption onto periphytic biofilms followed the pseudo-second order kinetic model. The biosorption process fitted the Freundlich, Langmuir and Dubinin-Radushkevich Isotherm models well and was thermodynamically spontaneous...
June 10, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28633855/nanocomposites-synthesis-characterization-and-its-application-to-removal-azo-dyes-using-ultrasonic-assisted-method-modeling-and-optimization
#17
Sima Porhemmat, Mehrorang Ghaedi, Ali Reza Rezvani, Mohammad Hossein Ahmadi Azqhandi, Ali Akbar Bazrafshan
S-doped and Cu- and Co-doped TiO2 was synthesized by a sol-gel method and characterized by FE-SEM, XRD, EDX and FTIR. The Co/Cu/S-TiO2 nanocomposite loaded on the activated carbon as new nanoadsorbent was used for simultaneous removal of methylene blue (MB) and sunset yellow (SY) from aqueous solution by ultrasonic-assisted adsorption method. In this work, central composite design (CCD) and adaptive neuro-fuzzy inference system (ANFIS) as a support tool for examining data and making prediction are used to recognize and predict the removal percentage in MB and SY dye solution of different concentrations...
September 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28633843/ultrasound-assisted-dispersive-magnetic-solid-phase-extraction-for-preconcentration-and-determination-of-trace-amount-of-hg-ii-ions-from-food-samples-and-aqueous-solution-by-magnetic-graphene-oxide-fe3o4-go-2-ptsc-central-composite-design-optimization
#18
Akram Keramat, Rouholah Zare-Dorabei
In this work, the synthesis of the magnetic graphene oxide modified by 2-pyridinecarboxaldehyde thiosemicarbazone groups (Fe3O4@GO/2-PTSC) was utilized for preconcentration and determination of mercuric ions in a trace amount by inductively coupled plasma-optical emission spectrometry (ICP-OES). Characterization of the adsorbent was performed using various techniques, such as FT-IR, VSM, SEM and XRD analysis. Central composite design (CCD) under response surface methodology (RSM) was used for obtaining the most important parameters and probable interactions in variables...
September 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28633837/synthesis-and-characterization-of-zns-ni-nps-loaded-on-ac-derived-from-apple-tree-wood-and-their-applicability-for-the-ultrasound-assisted-comparative-adsorption-of-cationic-dyes-based-on-the-experimental-design
#19
Hossein Zare Khafri, Mehrorang Ghaedi, Arash Asfaram, Mohammad Safarpoor
The applicability of ZnS:Ni nanoparticles loaded on activated carbon derived from apple tree wood (ZnS:Ni-NPs-ACATW) for the adsorption of Methylene Blue (MB) and Janus Green B (JGB) dyes in single system from water solution has been described. The synthesized adsorbent characterized and identified by UV-Vis, FE-SEM, EDX, TEM, FTIR and XRD. The influences of operation parameters including initial MB or JGB concentration (9.0-33.0mgL(-1)), pH (4.0-10.0), extent of adsorbent (0.08-0.12g) and sonication time (4...
September 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28633820/green-synthesis-of-ag-cr-ac-nanocomposites-by-azadirachta-indica-and-its-application-for-the-simultaneous-removal-of-binary-mixture-of-dyes-by-ultrasonicated-assisted-adsorption-process-using-response-surface-methodology
#20
Muhammad Saad, Hajira Tahir, Duaa Ali
In the present studies the Ag-Cr-AC nanocomposites were synthesized by Azadirachta indica leaves extract. They were inoculated on the amorphous surface of activated carbon. The surface morphology and structural identification was determined by SEM, FTIR and XRD techniques. The simultaneous removal of binary dye system of Reactive Red and Crystal Violet were performed by ultrasonicated assisted adsorption process utilizing Ag-Cr-AC nanocomposites. Central Composite Design (CCD) having 5 factors of time, pH, amount of Ag-Cr-AC (adsorbent), concentrations of Reactive Red (RR) and Crystal Violet (CV) was employed...
September 2017: Ultrasonics Sonochemistry
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