jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bo Wang | Shicheng Wei | Wei Huang | Yujiang Wang | Yi Liang | Junfeng Xue | Binshi Xu
Source: Research Square (preprint, 2022-08-26)
Field: Materials Science — Materials Chemistry

Corrosion behavior and weather-resistance of Nano-Ti polymer functional coating Abstract Anti-corrosion and weather-resistance Nano-Ti polymer functional coating fabricated by spraying + brushing technology. The effects of Nano-Ti polymer contents on structure and properties of the coating were investigated systematically, and the corrosion mechanism of the coating was understood. Results show that the Nano-Ti polymer coating is uniform and dense. With increasing the content of Nano-Ti polymer, the thermal stability of the coating becomes better, and the glass transition temperature increases. When the content of the Nano-Ti polymer is 9%, the glass transition temperature is the highest (206.1 °C). After immersion for 458 days in 3.5wt.% NaCl at room temperature, 125 days neutral salt spray, and 200 days UV aging, the coating is still intact, indicating excellent anti-penetration, anti-corrosion, and weather resistance. EIS results confirm the excellent corrosion protection of the 9% Nano-Ti polymer coating with the biggest corrosion resistance (9.3×10 8 Ω·cm 2 ). Corrosion ; Coating ; Materials science ; Polymer ; Nano- ; Penetration (warfare) ; Immersion (mathematics) ; Composite material ; Glass transition ; Thermal stability ; Metallurgy ; Chemical engineering Corrosion Behavior and Inhibition ; Metal and Thin Film Mechanics ; Polymer composites and self-healing
Authors: C. Kuntz | Paul Jakob Jägerfeld | Joe P. Mmbaga | Robert E. Hayes | Olaf Deutschmann
Source: Research Square (preprint, 2022-11-17)
Field: Materials Science — Materials Chemistry

Coupling of Liquid and Surface Chemistry in Urea SCR Systems Abstract Close-coupled selective catalytic reduction (SCR) systems are one method to deal with tightening emission legislation for NO x in internal combustion engines. Due to smaller mixing sections and at unfavourable boundary conditions, however, urea-water solution (UWS) droplets can impact on the SCR catalyst itself. To investigate this phenomenon further, this work develops a modeling capability of this process. Established mechanism for NH 3 -SCR and HNCO hydrolysis from literature are integrated into DETCHEM CHANNEL and a 2D COMSOL model to simulate the influence in the SCR Channel. Simulations are validated against end-of-pipe experiments from literature and spatially resolved concentration profiles from a hot gas test rig with very good agreement. Finally, a channel simulation is coupled with a model to describe the catalytic decomposition of an urea droplet. The coupled simulation is able to simulate the influence of UWS droplet impact onto a catalyst channel. Fast droplet decomposition causes a peak in NH 3 and HNCO in the single channel and thus increases NO x conversion. However, the overall uniformity and efficiency is decreased, which is why droplet impact on the catalyst should be strictly avoided. Catalysis ; Selective catalytic reduction ; Urea ; Coupling (piping) ; Combustion ; Mixing (physics) ; Chemistry ; Work (physics) ; Channel (broadcasting) ; Decomposition ; Mechanics ; Chemical engineering ; Materials science ; Thermodynamics ; Physical chemistry ; Physics ; Engineering ; Organic chemistry ; Composite material ; Electrical engineering Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Vehicle emissions and performance
Authors: Gülşen Akın Evingür
Source: Polymer Science Peer Review Journal (article, 2022-09-06)
Field: Materials Science — Polymers and Plastics

Correlation Between Swelling and Elasticity of Graphene Oxide-Polyacrylamide Composites Composites of Graphene Oxide (GO) and Polyacrylamide (PAAm) have been proposed as promising biomaterials for biomedicine and tissue engineering. The aim of this work is to investigate the relationship between swelling and mechanical properties of these composites and demonstrate the role of Graphene Oxide (GO) on the swelling and elasticity of the composites. Swelling experiments were performed in distilled water at 30 C, monitoring the steady-state fluorescence intensity in real time, using Py in the GO-PAAm composites as a fluorescence probe. The diffusion coefficients, Dsc and the cooperative diffusion coefficients Dem were calculated using Fick's model and Li-Tanaka equations, respectively. The mechanical properties of the composites were investigated by the compression test before and after the swelling process. The GO content dependence of the shear modulus of the composites due to the volume phase transition was measured at 30 C. After the swelling process, the shear modulus of GO-PAAm composites decreases with the increase of GO content above 8l GO, indicating a critical value. An increase in GO content leads to a decrease in swelling capacity due to more cross-links and cross-link densities in the composites. Elasticity (physics) ; Graphene ; Polyacrylamide ; Materials science ; Oxide ; Swelling ; Composite material ; Engineering ; Polymer chemistry ; Nanotechnology ; Metallurgy Polymer Nanocomposites and Properties ; Conducting polymers and applications
Authors: Nisha Modi | Siwei Chen | Kyle J. M. Bishop | Allie C. Obermeyer
Source: ChemRxiv (preprint, 2022-07-15)
Field: Materials Science — Materials Chemistry

Designing negative feedback loops in enzymatic coacervate droplets Membraneless organelles within the living cell use phase separation of biomolecules coupled with enzymatic reactions to regulate cellular processes. The diverse functions of these biomolecular condensates motivate the pursuit of simpler in vitro models that exhibit primitive forms of self-regulation based on internal feedback mechanisms. Here, we investigate one such model based on complex coacervation of the enzyme catalase with an oppositely charged polyelectrolyte DEAE-dextran to form pH-responsive catalytic droplets. Upon addition of hydrogen peroxide “fuel”, enzyme activity localized within the droplets causes a rapid increase in the pH. Under appropriate conditions, this reaction-induced pH change triggers coacervate dissolution owing to its pH-responsive phase behavior. Notably, this destabilizing effect of the enzymatic reaction on phase separation depends on droplet size owing to the diffusive delivery and removal of reaction components. Reaction-diffusion models informed by the experimental data show that larger drops support larger changes in the local pH thereby enhancing their dissolution relative to smaller droplets. Together, these results provide a basis for achieving droplet size control based on negative feedback between pH-dependent phase separation and pH-changing enzymatic reactions. Coacervate ; Chemistry ; Hydrogen peroxide ; Polyelectrolyte ; Biomolecule ; Dissolution ; Diffusion ; Phase (matter) ; Chemical engineering ; Dextran ; Enzyme ; Chemical physics ; Biophysics ; Chromatography ; Biochemistry ; Organic chemistry ; Thermodynamics ; Polymer Pickering emulsions and particle stabilization ; Proteins in Food Systems
Authors: K. Veeravelan | S. Arivoli S. Arivoli | J. Samu Solomon
Source: Oriental Journal Of Chemistry (article, 2022-12-30)
Field: Chemistry — Analytical Chemistry

Removal of Therapeutic Drug Diclofenac Pollution by the Acid Digested Carbon of Waste Leathers By manipulating the physico-chemical conditions, the adsorption characteristics study on the removal of the therapeutic drug Diclofenac on the Acid Digested Carbon of waste Leather (ADCL) were analysed. The smallest particle size affords the most surface area and more adsorbed material (92.43% for 0-63 micron). The adsorption of diclofenac on this acid-digested carbon of waste leather required acidic pH ranges. Nevertheless, different adsorbates preferred various acidic pH ranges between 1 and 6. In this instance, 92.15% of adsorption occurs at pH 5. The results of this study revealed that the percentage of diclofenac adsorption is directly proportional to the dosage and contact time of the adsorbent and inversely proportional to the initial concentration of the adsorbate. Due to the absence of a chemical bond forming between the adsorbent and adsorbate, the order of this adsorption is pseudo-second order kinetics, and therefore falls under the category of physisorption. For these experiments, the fruendlich and Langmuir isotherm model is appropriate. The thermodynamic analysis shows negative ∆Go and positive ∆Ho and ∆So values, indicating that this adsorption is, respectively, spontaneous, practicable, and physical in character. The FT-IR, SEM, and XRD spectrum data support the above experimental findings. Adsorption ; Chemistry ; Physisorption ; Diclofenac ; Langmuir adsorption model ; Kinetics ; Carbon fibers ; Nuclear chemistry ; Inorganic chemistry ; Chemical engineering ; Organic chemistry ; Materials science Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal ; Extraction and Separation Processes
Authors: Tetsuya Morimoto | Eiichi Hara | Hisaya Katoh
Source: Advanced Composite Materials (article, 2022-06-07)
Field: Materials Science — Materials Chemistry

Application of chronocoulometry method for measuring Fick’s diffusion constant of thin coating layers An applied electrochemical method in the form of a chronocoulometry technique is proposed for measuring Fick’s diffusion constant of a thin protective coating layer over the conductive base materials. Using this method, the capacitance is monitored for a capacitor formed using the base material, an electrolyte such as aqueous NaCl, and an insulating coating layer in between. The capacitance increases when the distance between the base material and the electrolyte decreases in the diffusion of the electrolyte through the insulating coating layer. Therefore, the change in the capacitance provides a diffusion rate related to Fick’s diffusion constant. Conventional gravimetric methods require a long measurement time to reach saturation, and thin coating layers of minimal weight increment through water diffusion were demonstrated to be inadequate for the methods. However, the new electrochemical method is appropriate for thin coating layers and requires a limited duration after the onset of diffusion. Experimental for 1-mm thick PA6 films provided Fick’s diffusion constants of safer side with the new method of 15h by reflecting the heterogeneous properties of the surface, while the conventional gravimetric method in 360h provided smaller or danger-side values. Materials science ; Coating ; Diffusion ; Gravimetric analysis ; Diffusion layer ; Electrolyte ; Capacitance ; Composite material ; Fick's laws of diffusion ; Thin film ; Layer (electronics) ; Analytical Chemistry (journal) ; Electrode ; Thermodynamics ; Nanotechnology ; Chromatography ; Chemistry High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrostatics and Colloid Interactions
Authors: E. C Anyanwuocha | C. O Nweke | J. C Orji | E. S Asiwe
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2022-09-07)
Field: Chemistry — Inorganic Chemistry

Adsorption Characteristics, Diffusion and Isotherms of Modified Pig Waste for Removing Reactive Violet 5 The present study investigated the adsorption characteristics, diffusion, and Isotherms of modified pig Waste for removing Reactive Violet 5 (RV5). Pig wastes were subjected to chemical modification by Triton X100 (TX100) and 1% sodium dodecyl sulphate (SDS) treatment. The effect of some significant parameters such as pH, time, and dye concentration on the adsorption capacity of the studied systems was determined using standard methods. The pseudo-secondorder, intra-particle diffusion, Elovich, and power function kinetic equation models were used to examine the rate of the adsorption process; while the equilibrium data were fitted to adsorption isotherm models; Langmuir, Freundlich, Redlich-Peterson, and Sips models. The maximum RV5 removal capacity for each of the adsorbents was found to be at pH 1 and decreased with increasing pH, and equilibrium time was found to be 80mins for different adsorbent materials, and the adsorption capacity at the equilibrium time was 45%, 48%, and 70% for untreated, TX100 and SDS treated PGD. The results obtained closely fitted into the intraparticle diffusion linear kinetic model with a nonzero y-axis intercept and correlation coefficients (R2 ) values of 0.999 for the absorbents; indicative of a multipath diffusion mechanism being involved in the adsorption of RV5 by treated and untreated PGD. The adsorption of RV5 by PGD treated with SDS and TX100 strongly aligned with a linearized Freundlich Isotherm for the effect of dye concentration on adsorption capacity; with correlation coefficient (R2 ) of 0.968 and 0.937 for the PGD treated with SDS and TX100 respectively. Therefore, PGD treated with SDS may be efficiently used as an adsorbent for the removal of RV5 from aqueous solutions. The adsorption of SDS and TX100 treated PGD tightly fitted into pseudo-secondorder, power function, and Elovich non-linear kinetic models and a heterogeneous multi-path diffusion mechanism. Adsorption ; Diffusion ; Ultra violet ; Chemistry ; Chemical engineering ; Nuclear chemistry ; Chromatography ; Materials science ; Thermodynamics ; Organic chemistry ; Physics ; Engineering ; Optoelectronics Pigment Synthesis and Properties
Authors: Siyua Cao | Naveen Weerasekera | Dawa Ram Shingdan | Ahmed Ijaz Abdulla
Source: European Journal of Applied Physics (article, 2022-05-17)
Field: Materials Science — Materials Chemistry

Understanding Precipitate Growth Kinetics at Ultra-High Hydrostatic Pressures In this work, we have studied the precipitate growth behavior of a metal matrix when subjected to hydrostatic pressure. We utilized Zenner-Frank phase field kinetics with integrated free energy density functional based on volumetric strain energy. We studied the precipitate growth up to 2 GPa under varying bulk modulus of the precipitate phase. We observed that subjecting to hydrostatic pressure influences the growth kinetics by reducing the precipitate growth under time evolution. In addition, the bulk modulus of the precipitate has shown an abnormality in the growth behavior compared to general observations under hydrostatic pressure. This work contributes to the smart tailoring of novel materials to reduce detrimental impacts on holistic material properties, used in large hydrostatic pressure applications. Materials science ; Hydrostatic pressure ; Hydrostatic equilibrium ; Kinetics ; Phase (matter) ; Modulus ; Work (physics) ; Bulk modulus ; Thermodynamics ; Composite material ; Chemistry Solidification and crystal growth phenomena ; Microstructure and mechanical properties ; Aluminum Alloy Microstructure Properties
Authors: Xia Wang | Jingjing Chen | Lijuan Wang | Guiju Xu | Ru‐Song Zhao
Source: Global NEST International Conference on Environmental Science & Technology (article, 2022-11-19)
Field: Chemistry — Inorganic Chemistry

Adsorption of Gatifloxacin from Aqueous Solution with Highly Stable Zr(IV)-Based Porphyrinic Metal-Organic Frameworks Water stable Zr-metal–organic framework nanoparticles (PCN-224 NPs) have been solvothermally synthesized. PCN-224 NPs show spherical shape with smooth surface and particle size of approximately 200 nm. PCN-224 NPs can be stable in acid and aqueous solutions, as confirmed by powder X-ray diffraction. Gatifloxacin (GTF) adsorption measurements showed that PCN-224 NPs exhibit a high adsorption capacity of 876 mgg-1. Meanwhile, the adsorption factors, adsorption characteristics, and mechanisms of GTF were investigated in batch adsorption experiments. Adsorption ; Aqueous solution ; Metal-organic framework ; Nanoparticle ; Gatifloxacin ; Materials science ; Metal ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Nanoparticle-Based Drug Delivery ; X-ray Diffraction in Crystallography
Authors: Javad Zolgharnein | Shahab Feshki | Mahdieh Rastgordani
Source: Research Square (preprint, 2022-08-26)
Field: Chemistry — Organic Chemistry

Magnetic Fe 3 O 4 @polydopamine nanoparticle as an efficient adsorbent for simultaneous removal of Basic blue and Toluidine blue O dyes using derivative spectrophotometric determination and central composite design optimization Abstract Simultaneous determination and removal of Toluidine blue (TO) and basic blue (BB) dyes by dopamine-modified magnetic nanoparticles was considered. Nanomagnetic oxide coated with polydopamine (PDA) acid is introduced as a new and efficient adsorbent to remove cationic dyes in a binary mixture solution. Characterization of the Fe 3 O 4 and Fe 3 O 4 @PDA nanoparticles was also supported by FT-IR, XRD, SEM, and VSM analysis. First-order derivative spectrophotometry is employed to simultaneously determine TO and BB in a binary mixture. Linear range for TO and BB in binary mixture obtained by y = 0.00014x + 0.00013 and y = − 0.00136x- 0.00487 least square equations was 2–20 mg L − 1 and limit of detection 0.4 and 0.3 mg L − 1 , respectively. The effect of independent factors such as pH, dye’s initial concentration (C 0 ), and adsorbent amount (m) on dye’s adsorption process was investigated. The response surface methodology was employed by running a central composite design (CCD) to obtain optimal values for dye removal percent. It leads to optimum conditions as follows: pH = 10˛ m = 25 (mg), C TO =320 (mg L − 1 ), C BB =350 (mgL − 1 ), %R TO =85, %R BB =80. Finally, isotherms, kinetics, and thermodynamics of the removal processes were also evaluated in the binary mixtures. Adsorption ; Central composite design ; Cationic polymerization ; Toluidine ; Methylene blue ; Nuclear chemistry ; Chemistry ; Response surface methodology ; Detection limit ; Methyl blue ; Nanoparticle ; Magnetic nanoparticles ; Derivative (finance) ; Materials science ; Chromatography ; Analytical Chemistry (journal) ; Organic chemistry ; Nanotechnology ; Catalysis ; Photocatalysis Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Electrochemical sensors and biosensors
Authors: Endang Sulistyawati | Heni Anggorowati | Nadia Rochmah | Navyta Ariardini
Source: Eksergi (article, 2022-07-26)
Field: Chemistry — Organic Chemistry

Isotherm and Adsorption Thermodynamics Cross-Linked Chitosan Microcapsules of Kalium Pershulphate to Methyl Orange Dye Modeling of isotherm and adsorption thermodynamics in this study, leads to the determination of the classification of adsorption isotherms and the determination of the amount of energy and entropy to determine the impeccability of the process. As an adsorbent, a potassium persulfate crosslinked chitosan microcapsule was synthesized through a microencaptulation process using a solvent evaporation method with a carboxy methyl cellulose CMC coating. The characteristics of the chitosan microcapsules that were formed had a degree of deacetylation of 53,92 %, and a bn mutant diameter around 1-100 µm. Test materials used azo methyl orange dyes, which are often found in industrial waste and laboratory waste. Observations were made with variations in the concentration of methyl orange solution 5, 7,5, 10, 12,5, 15, 17,5 and 20 ppm at temperatures of 30, 40 and 50 ° C. The calculation results show that the adsorption isotherm model obtained approaches the Langmuir isotherm model. The results of the analysis of temperature effects obtained positive Gibbs energy change values (ΔG) so that the adsorption process takes place non-spontaneously. The values of enthalpy change (ΔH) and entropy change (ΔS) of 33,86 kJ / mol and 0,0899 kJ / mol.K. This indicates that adsorption occurs chemically adsorption, is endothermic and adsorbat is not completely adsorbed. Adsorption ; Endothermic process ; Enthalpy ; Gibbs free energy ; Freundlich equation ; Chemistry ; Langmuir adsorption model ; Chitosan ; Methyl orange ; Thermodynamics ; Langmuir ; Solvent ; Nuclear chemistry ; Chemical engineering ; Chromatography ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Christian Laube | Robert Temme | Andrea Prager | Jan Griebel | Wolfgang Knolle | Bernd Abel
Source: ChemRxiv (preprint, 2022-12-14)
Field: Materials Science — Materials Chemistry

Fluorescence Lifetime Control of NV Centers in Nanodiamonds for Long-Term Information Storage Today’s huge amount of data generation and transfer induced an urgent requirement for long-term data storage. Here, we demonstrate and discuss a novel concept for long-term storage using NV centers inside nanodiamonds. The approach is based upon the radiation-induced generation of additional vacancies (so-called GR1 states), which quench the initial NV centers, resulting in a reduced overall fluorescence lifetime of the NV center. Using the tailored fluorescence lifetime of the NV center to code the information we demonstrate a “beyond binary” data storage density per bit. We also demonstrate that this process is reversible by heating the sample or the spot of information. This proof of principle shows that our technique may be a promising alternative data storage technology, especially in terms of long-term storage due to the high stability of the involved color centers. In addition to the proof of principle demonstration using macroscopic samples, we suggest and discuss the usage of focused electron beams to write information in nanodiamond materials, to read it out with focused low-intensity light, and to erase it on a macro, micro, or nanoscale. Computer data storage ; Fluorescence ; Term (time) ; Computer science ; Optical storage ; Materials science ; Nanotechnology ; Optoelectronics ; Physics ; Computer hardware ; Optics Diamond and Carbon-based Materials Research ; Electronic and Structural Properties of Oxides ; High-pressure geophysics and materials
Authors: N. Atamas | I. Matuschko | G. Taranyik
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2022-08-22)
Field: Materials Science — Polymers and Plastics

THE DIFFUSION AT SHORT-TIME INTERVALS IN DIMETHYL-IMIDAZOLIUM CHLORIDETOLUENE In the work, using the MD method, which was implemented using the modified software package DL_POLY_4.09, the MSD functions for the components of the ionic liquid dimethylimidazolium chloride and the dissolved toluene molecule at T=400K were calculated for the analyzed. On the basis of the obtained data, model representations were built to describe the processes of diffusion at small time intervals in the liquid, which determine the processes of relaxation in it. Diffusion ; Statistical physics ; Materials science ; Environmental science ; Physics ; Thermodynamics Synthesis and properties of polymers ; Inorganic and Organometallic Chemistry ; Microwave-Assisted Synthesis and Applications