jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: L. Malerba | P. Agostini | Massimo Angiolini | Marjorie Bertolus
Source: EPJ Nuclear Sciences & Technologies (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects The goal of the ORIENT-NM action is to produce a single European strategic vision on research and innovation concerning nuclear materials in the EU, serving all reactor generations and nuclear systems. The key in this endeavour is to focus on advanced materials science practices that, combined with digital techniques, will enable acceleration in materials development, manufacturing, supply, qualification, and monitoring, in support of nuclear energy safety, efficiency, economy and sustainability. The research agenda will be rooted in existing virtuous examples of nuclear materials science projects. Here the results of three of them are summarised, thereby covering different reactor applications and families of materials, as well as a range of advanced material research approaches. GEMMA addressed a number of key areas concerning the development and qualification of metallic structural materials for GenIV reactor conditions, focusing on austenitic steels and their compatibility with several non-aqueous coolants, their welds and the modelling of their stability under irradiation. INSPYRE was an integrated project applying a basic science approach to (U,Pu)O 2 fuels, to develop physics-based models for the behaviour of nuclear fuels under irradiation and improve fuel performance codes. Modelling was also the focus of the M4F project, which brought together the fission and fusion materials communities to study the effects of localised deformation under irradiation in ferritic/martensitic steels and to develop good practices to use ion irradiation as a tool to evaluate radiation effects on materials. Structural material ; Sustainability ; Operationalization ; Nuclear engineering ; Materials science ; Systems engineering ; Mechanical engineering ; Engineering ; Metallurgy Nuclear Materials and Properties ; Fusion materials and technologies ; Nuclear materials and radiation effects
Authors: Raquel Rossetto | Giselle Maria Maciel | Isabela de Andrade Arruda Fernandes | Tatiani Andressa Modkovski | Matheus Araújo Semião | Tatiane Brugnari | Charles Windson Isidoro Haminiuk
Source: Chemical and Biochemical Engineering Quarterly (article, 2022-01-18)
Field: Chemistry — Analytical Chemistry

Açaí Seeds as a Prospective Biosorbent for Acid Dyes Removal In this study, were used residual Aa seeds as a biosorbent for two textile dyes (Acid Yellow 219 (AY) and Acid Red 361 (AR)), in single and binary solutions. Further, kinetic and isothermal studies were carried to evaluate if the chemical modifications in the Aa seeds would promote an increase in biosorption. Kinetic assays for all solutions showed that more than 50 % of the dyes were removed in the first 15 minutes. The acid treatment of the biosorbent increased the removal of acid dyes in solution by 46 % and 32 %, respectively. In conclusion, chemically modified Aa seeds showed high capacity for the removal of textile dyes in single (AY q e = 1.40 mg g -1 ; AR q e = 1.76 mg g -1 ) and multi-component solutions (AY MIX q e = 2.09 mg g -1 ; AR MIX q e = 2.23 mg g -1 ). These results demonstrate that Aa seeds can be applied in an inexpensive strategy for removing pollutants (single or binary solutions) from wastewater. Chemistry ; Waste management ; Pulp and paper industry ; Environmental chemistry ; Chromatography ; Engineering Dye analysis and toxicity
Authors: Himadri Roy Ghatak
Source: Periodica Polytechnica Chemical Engineering (article, 2022-05-11)
Field: Materials Science — Materials Chemistry

Evolved Gases and Unified Kinetic Model for Low-temperature Thermal Decomposition of Rice Straw Hydrolysis Residue for Possible Value Addition Low-temperature thermal decomposition (LTTD) of Rice straw hydrolysis residue (RSHR) was studied using thermogravimetric analysis and Fourier Transform Infrared spectroscopy (TGA-FTIR) at different heating rates. During thermogravimetry, the maximum rate of mass loss of 135% per min was observed at 339 °C ( Tmax ) for heating rate of 50 °C per min. Tmax decreased to 323, 315, and 299 °C with decrease in heating rate to 40, 30, and 20 °C min−1, respectively. LTTD of RSHR yields volatile oxygenated organics – acids, esters, aldehydes, ketones, alcohols and phenols – as revealed by the FTIR spectra of evolved gases. At increased decomposition temperature, carbonyl moieties were less conjugated. The main gaseous products of LTTD were carbon dioxide, carbon monoxide, and methane. Kinetics of LTTD of RSHR was analysed using thermogravimetry results. Activation energy of LTTD followed a Lorentzian distribution with respect to residual mass fraction (RMF). Dependence of LTTD rate on RMF was found to adhere to the truncated Sestak and Berggren model. Thermogravimetry ; Chemistry ; Thermogravimetric analysis ; Thermal decomposition ; Fourier transform infrared spectroscopy ; Decomposition ; Pyrolysis ; Residue (chemistry) ; Hydrolysis ; Methane ; Analytical Chemistry (journal) ; Carbon monoxide ; Nuclear chemistry ; Organic chemistry ; Inorganic chemistry ; Chemical engineering ; Catalysis Thermal and Kinetic Analysis ; Thermochemical Biomass Conversion Processes ; Energetic Materials and Combustion
Authors: Tina Sabel
Source: Polymers (article, 2022-05-28)
Field: Materials Science — Surfaces, Coatings and Films

Influence of Pre-Exposure on the Material Response of Epoxy-Based Volume Holographic Recording Material The formation of volume holograms in photosensitive polymers is a complex process under the influence of many interacting factors: material composition and processing, exposure conditions, and pre-exposure affect the development and final characteristics of holographic gratings. In order to better understand the interplay of these influencing factors, the detailed investigations of holographic recording in a new organic material are performed and the results are presented here. The material response and performance of an epoxy-based free surface material designed for volume holography are investigated. For this purpose, time-resolved investigation of volume holographic grating growth is performed on the one hand. Spatially resolved analysis of volume holographic phase gratings by point-by-point scanning of the local material response to the Gaussian intensity distribution of the recording beams is carried out on the other hand. Thus, the influence of pre-exposure on the temporal grating formation, as well as on the final obtained refractive index contrast, was determined. The various effects observed can be explained by the consumption of photosensitive compounds and prior crosslinking in the course of pre-exposure. Rather unexpected effects are that, on the one hand, pre-exposed gratings emerge with ever more complete null diffraction at the transition point and, on the other hand, a stabilizing effect of some degree of pre-exposure on regions exposed with low intensity was identified. Holography ; Diffraction efficiency ; Materials science ; Grating ; Optics ; Epoxy ; Holographic grating ; Refractive index ; Intensity (physics) ; Volume hologram ; Volume (thermodynamics) ; Polymer ; Composite material ; Diffraction grating ; Optoelectronics ; Physics Optical Coatings and Gratings ; Photorefractive and Nonlinear Optics ; Photonic and Optical Devices
Authors: Dal Singh Kharat | Meenal Gupta
Source: Chemical Science International Journal (review, 2022-12-31)
Field: Chemistry — Analytical Chemistry

Treatment of Textile Dyeing Effluent Using Agriculture Waste Based Adsorbents - A Review Objective: Removal of colour from the textile dyeing effluent is a major problem due to high tinctorial value, complex structure of the dyes, toxicity and presence of metals in some dyes. The colouring matter has to be removed from the effluent before its discharge as it constitutes the major fraction of pollution. The spent dyes in the textile effluent have to be removed before disposal as they constitutes major fraction of pollution. Review of waste based adsorption of the spent dyes, performance, economics involved and disposal options for the spent adsorbents are the objectives of the present work.&#x0D; Methods: Various techniques are used for the removal of colour including adsorption. Although the activated carbon is an ideal adsorbent, it is expensive for effluent treatment due to its high production and regeneration costs. High cost of activated carbon has led to the search for alternate non-conventional adsorbents. Attempts have been made by researchers to use the non-conventional, low-cost and naturally occurring waste materials as adsorbents. The findings are based on literature survey and authors’ experience.&#x0D; Findings: This review seeks to give an overview of the agriculture waste based adsorbents together with physical and chemical processing needs, adsorption parameters including mechanisms and the adsorption potential of various adsorbent-adsorbate systems for removal of different dyes from the effluents. Comparative studies conducted with synthetic effluents as well real textile dyeing effluent are also included. The cost involved in the dyeing effluent treatment is always a concern for the textile dyeing industries. The cost issue can be addressed using the waste based adsorbents for which an economics have been presented.&#x0D; Conclusion: The gaps between practices and the present research works have been identified and highlighted along with further research needs for treatment of the dyeing effluents. The waste based adsorbents are mainly agricultural residues and combustible. The spent adsorbents can be reused as fuel in the boiler furnace that can offset the expenses on fuel to some extent. Effluent ; Dyeing ; Adsorption ; Waste management ; Textile ; Pulp and paper industry ; Activated carbon ; Environmental science ; Environmental pollution ; Pollution ; Chemistry ; Engineering ; Materials science ; Organic chemistry ; Environmental protection Dye analysis and toxicity ; Water and Wastewater Treatment
Authors: Subhajit Kundu | Prafful Golani | Hwanhui Yun | Silu Guo | Khaled Youssef | Steven J. Koester | K. Andre Mkhoyan
Source: Communications Materials (article, 2022-02-17)
Field: Materials Science — Materials Chemistry

Tunable metal contacts at layered black-arsenic/metal interface forming during metal deposition for device fabrication Abstract Understanding the kinetics of interfacial reaction in the deposition of metal contacts on 2D materials is important for determining the level of contact tenability and the nature of the contact itself. Here, we find that some metals, when deposited onto layered black-arsenic films using e-beam evaporation, form a-few-nm thick distinct intermetallic layer and significantly change the nature of the metal contact. In the case of nickel, the intermetallic layer is Ni 11 As 8 , whereas in the cases of chromium and titanium they are CrAs and a-Ti 3 As, respectively, with their unique structural and electronic properties. We also find that temperature, which affects interatomic diffusion and interfacial reaction kinetics, can be used to control the thickness and crystallinity of the interfacial layer. In the field effect transistors with black-arsenic channel, due to the specifics of its formation, this interfacial layer introduces a second and more efficient edge-type charge transfer pathway from the metal into the black-arsenic. Such tunable interfacial metal contacts could provide new pathways for engineering highly efficient devices and device architectures. Materials science ; Intermetallic ; Layer (electronics) ; Titanium ; Metal ; Nickel ; Arsenic ; Deposition (geology) ; Chromium ; Atomic layer deposition ; Chemical engineering ; Metallurgy ; Nanotechnology ; Alloy Graphene research and applications ; 2D Materials and Applications ; Nanowire Synthesis and Applications
Authors: Huan Liu | Jiangcai Wang | Shihong Chen | Zejun Sun | Haowen Xu | Yishu Han | Chong Wang | Huixian Liu | Li Huang | Dameng Liu | Jianbin Luo
Source: Research Square (preprint, 2022-10-07)
Field: Materials Science — Materials Chemistry

Direct visualization of dark exciton condensates in moiré superlattices Abstract Moiré superlattices have emerged as an unprecedented manipulation tool for engineering correlated quantum phenomena in van der Waals heterostructures1-4. With moiré potentials as a naturally configurable solid-state that sustains high exciton density, interlayer excitons in transition metal dichalcogenide (TMDC) heterostructures are expected to achieve high-temperature exciton condensation and related superfluidity5. However, the exciton condensation is usually optically inactive due to the finite momentum of interlayer excitons. The experimental observation of dark exciton condensation in moiré potentials remains challenging with traditional optical techniques. Here we directly visualize the dark-exciton condensation in twisted TMDC heterostructures using femtosecond transient absorption microscopy. We observe a quantum transition from classical exciton gas to exciton condensation by imaging temperature-dependent exciton transport. With decreasing temperature, exciton diffusion rates exhibit an accelerating downwards trend under a critical degeneracy temperature, indicative of exciton condensation. This result is attributed to moiré potentials drastically suppressing exciton transport to promote exciton condensation. The ability to image exciton condensates opens the door to quantum information processing6 and high-precision metrology in moiré superlattices. Exciton ; Condensation ; Condensed matter physics ; Materials science ; Biexciton ; Heterojunction ; Superlattice ; Femtosecond ; Physics ; Optics ; Laser 2D Materials and Applications ; Strong Light-Matter Interactions ; Perovskite Materials and Applications
Authors: Jheffry Gonzalez | Martin Ševeček
Source: Acta Polytechnica CTU Proceedings (article, 2022-12-06)
Field: Materials Science — Materials Chemistry

Modelling of fission gas release in UO2 doped fuel using transuranus code The expected benefits from Cr-doped fuel are improved retention of fission gases within the pellets due to its large grain size. To demonstrate this, several experiments have been carried out by Halden reactor and Studsvik. These experiments are now being used to benchmark several fuel performance codes among them transuranus code. All this as part of a Coordinate Research Project (CRP) by IAEA named Testing and Simulation for Advanced Technology and Accident Tolerant Fuels (ATF-TS). This work is introducing a novel fission gas diffusivity model for doped fuel in transuranus code. It is observed the benefits of introducing this new model when comparing to the standard model already existing in transuranus. Nevertheless, more work needs to be carried out to fully understand all the phenomena involved in adding dopant in UO2 due to change of thermo mechanical properties. Nuclear engineering ; Pellets ; Fission ; Benchmark (surveying) ; Work (physics) ; Code (set theory) ; Dopant ; Materials science ; Thermal diffusivity ; Doping ; Computer science ; Process engineering ; Nuclear physics ; Mechanical engineering ; Engineering ; Physics ; Neutron ; Thermodynamics ; Composite material ; Geology Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear and radioactivity studies
Authors: Michael Mycak | Rafael Doležal | Martin Bílek | Karel Kolář
Source: Chemia, Dydaktyka, Ekologia, Metrologia (article, 2022-12-01)
Field: Chemistry — Organic Chemistry

Microwave-Aided Reactions of Aniline Derivatives with Formic Acid: Inquiry-Based Learning Experiments Abstract The synthesis of amides belongs to traditional experimental tasks not only in organic chemistry exercises at universities but also at chemically focused secondary schools or in special practices at general high schools. An example of such a synthesis may be the preparation of acetanilide via reaction of aniline with acetic acid or acetic anhydride. However, both of these reactions are associated with a rather long reaction time and certain hazards that limit their straightforward use in pedagogical practice. Conveniently, the reaction of aniline with acetic acid may be significantly optimised if it is performed under solvent-free conditions in the presence of microwaves, which reduces considerably the reaction time and provides very good yield, compared to traditional heating by a heating nest. In this study, the main pedagogical aim of the experimental design is elucidation of the influence of the structure of the amines on the course of the reaction with formic acid through inquiry-based learning. Specifically, the proposed experiments consist in investigation of the chemical yield achieved in microwave assisted reactions of aniline and its derivatives with formic acid in such a way that is adequate for constructive learning of undergraduate chemistry students. The selected series of amines involves aniline, 4-methoxyaniline, 4-chloroaniline, and 4-nitroaniline. In accordance with the chemical reactivity principles, students gradually realise that the influence of the substituent is reflected in the reaction yield, which grows in the following order: N-(4-nitrophenyl)formamide ˂ N-(4-chlorophenyl)formamide ˂ N-phenylformamide ˂ N-(4-methoxyphenyl)formamide. Therefore, the results of the experiments enable students to discover that stronger basicity of the amine increases the yield of the amide. In order to deepen the students’ chemical knowledge and skills, the concept of the experiments was transformed to support inquiry-based student learning. The proposed experiments are intended for experimental learning in universities educating future chemistry teachers, but they may be also utilised in the form of workshops for students at secondary schools of a general educational nature. Aniline ; Formamide ; Formic acid ; Chemistry ; Yield (engineering) ; Substituent ; Acetic anhydride ; Acetanilide ; Organic chemistry ; Acetic acid ; Reactivity (psychology) ; Catalysis ; Materials science Microwave-Assisted Synthesis and Applications ; Various Chemistry Research Topics ; Multicomponent Synthesis of Heterocycles
Authors: Guy Lamoureux | Katherine Chaves-Carballo
Source: Educación Química (article, 2022-07-25)
Field: Chemistry — Physical and Theoretical Chemistry

H-Bridges with OH Donors in Organic Chemistry &lt;p&gt;Este artículo discute la formación de puentes de hidrógeno entre grupos funcionales con diversos grupos aceptores y OH donadores. Se presenta una serie de mallas circulares como ayuda visual para la organización y comparación de la diversidad de puentes de hidrógeno en moléculas orgánicas, haciendo énfasis en la presencia de un grupo OH (de alcoholes o fenoles, primordialmente) como donador de puente de hidrógeno. Los puentes de hidrógeno son clasificados como “poco probable”, “poco significativo” y “significativo”, de acuerdo con la evidencia experimental o teórica; y analizados en términos de efectos electrónicos, estéricos, termodinámicos, situacionales o de los sustituyentes. Nuestro objetivo es que el estudiante sea capaz de predecir y clasificar la probabilidad de interacción por puente de hidrógeno entre compuestos orgánicos comunes y comprender su efecto en sistemas más complejos.&lt;/p&gt; Humanities ; Chemistry ; Physics ; Philosophy Various Chemistry Research Topics
Authors: Mykola Blazheyevskіy | Ewa Bulska | Andrii Tupys | Olena V. Koval’ska
Source: Journal of organic and pharmaceutical chemistry (article, 2022-11-21)
Field: Chemistry — Spectroscopy

Titrimetric methods for determining cationic surfactants Aim. To generalize and systematize information on titrimetric methods for determining quaternary ammonium compounds (QACs).Results and discussion. The review summarizes and systematizes information on the properties of surfactants, provides their classification, shows the main ways of use in the national economy, and their role in pharmacy and medicine. Currently known titrimetric methods for determining cationic surfactants (СS), in particular quaternary ammonium compounds, which are widely used in medicine and pharmacy, are described and summarized.Conclusions. As a result of the study, the main directions of developing methods for determining QACs by titrimetry methods have been summarized; the disadvantages and advantages of each of the methods described have been shown. In the future, it can be the basis for developing new and more effective methods of analysis. Cationic polymerization ; Pharmacy ; Ammonium ; Titration ; Biochemical engineering ; Chemistry ; Computer science ; Medicine ; Engineering ; Organic chemistry Analytical Chemistry and Chromatography ; Biopolymer Synthesis and Applications ; Environmental Chemistry and Analysis
Authors: Abhishek Chaurasiya | Pooja A. Chawla
Source: Pharmaspire (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Synthetic strategy of 2-thioxo-4-thiazolidinone with core chemistry and biological importance Due to the vast range of biological actions that rhodanine and its derivatives exhibit, they are recognized as privileged structures in pharmacological research. However, the rhodanine skeleton synthesis process has certain limitations. However, the rhodanine ring’s reactivity enabled the creation of various arylidenes at position 5 and carboxylic acids at position 3, respectively. The principal pathways of heterocycle alteration are determined by the most reactive sites in 4-thiazolidinone, which are 3 and 5. In a review paper, the chemistry of 4-thiazolidinones was discussed, in particular the rhodanine ring and several methods for its reactions, including ring modification. The study deals with thioureas and thioglycolic acid react in a single step, catalyzed by protic acid, resulting in the direct preparation of N-aryl rhodanines as well as the rhodanine skeleton, offering a novel method for the synthesis of rhodanine and its derivatives. The presented approach is simple, effective, atom-efficient, and practical in high yields. Rhodanine ; Chemistry ; Ring (chemistry) ; Thioglycolic acid ; Combinatorial chemistry ; Thiazolidine ; Aryl ; Organic chemistry Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and biological activity ; Click Chemistry and Applications