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Search results for: NON-ADIABATIC CHEMISTRY
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Non-adiabatic superconductivity in the electron-doped graphene
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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublicationThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
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Photodissociation of polyatomic systems: non-adiabatic effects and conical intersection
PublicationPodano przykłady mechanizmów fotodysocjacji w cząsteczkach chloru bromoacetylowego i rodnika winiksydowego. Zastosowano kwantowe symulacje dynamiczne.
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Non-adiabatic Effects in Pressure Drop Calculations in Flow Boiling and Flow Condensation in Minichannels
PublicationConsiderations presented in the paper relate both to the case of flow boiling and flow condensation in conventional channels as well as small diameter ones. Authors devoted all the possible attention that the modeling presented is applicable to the whole range of quality variation in both cases of condensation and boiling. The form of two-phase flow multiplier, which is a major factor in modeling presented here, should be capable...
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PRESSURE DROP OF HFE7000 AND HFE7100 IN FLOW CONDENSATION IN MINICHANNELS WITH ACCOUNT OF NON-ADIABATIC EFFECTS
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena involving the change of phase. There is a temptation to describe both these phenomena with one only correlation. From amongst the structures present in flow boiling and flow condensation at least the annular flow structure seems to be mostly appropriate to the common modeling. However, the shear stress acting between vapor phase and liquid...
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Determination of pressure drop in flow condensation of HFE7000 in minichannels with account of non-adiabatic effects
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena involving the change of phase. There is a temptation to describe both these phenomena with one only correlation, however such method has yet to be suggested. From amongst the structures present in flow boiling and flow condensation at least the annular flow structure seems to be mostly appropriate to the common modeling. However, the shear...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Chemistry of non-precipitation components of wet deposition with Poland as an example
PublicationW pracy przedstawiono badania dotyczące chemizmu osadów atmosferycznych pobieranych na terenie Polski w okresie od 2004 do 2007 roku. Średni skład jonowy (TIC) dla rosy, szronu i mgły (w stanie ciekłym i stałym) wynosił odpowiednio 2147, 1929 i 1014 µeq/l, gdzie typowy skład jonowy TIC dla opadów atmosferycznych wynosi 318 µeq/l. Dla wszystkich typów osadów atmosferycznych różne jony pełnią ważną rolę: Ca2+ i SO42-...
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Analytical model with non-adiabatic effects for pressure drop and heat transfer during boiling and condensation flows in conventional channels and minichannels
PublicationIn the paper a method developed earlier by authors is applied to calculations of pressure drop and heat transfer coefficient for boiling flow and condensation flow with account of non- adiabatic effects for some recent data collected from literature. The first effect, the modification of interface shear stresses in annular flow pattern is considered through incorporation of the so called "blowing parameter". The mechanism of...
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New chromogenic substrates of human neutrophil cathepsin G containing non-natural aromatic amino acid residues in position P1 selected by combinatorial chemistry methods
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Analytical chemistry with biosolvents
PublicationOne of the current trends in green analytical chemistry is the introduction of green solvents, some of which are biobased. At the same time, the development of the biorefinery concept has allowed more biochemicals to be obtained with increased efficiency and from a wider range of feedstocks. The first examples of the use of biosolvents in analytical applications included extractions performed with alcohols, esters, and terpenes....
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Green Chemistry Metrics with Special Reference to Green Analytical Chemistry
PublicationThe concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor,...
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Synteza, struktura chemiczna i właściwości bezizocyjanianowych poliuretanów otrzymywanych z wykorzystaniem CO2 oraz surowców pochodzenia naturalnego.
PublicationZ uwagi na wciąż rosnącą świadomość proekologiczną, politykę zrównoważonego rozwoju, a także nurt zielonej chemii wiodącym trendem w przemyśle tworzyw sztucznych jest poszukiwanie alternatywnych metod otrzymywania materiałów polimerowych. Komercyjnie poliuretany otrzymywane są w wyniku reakcji poliaddycji di- lub poliizocyjanianów z poliolami i małocząsteczkowymi przedłużaczami łańcucha. Z uwagi na niekorzystne właściwości diizocyjanianów,...
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Green and equitable analytical chemistry
PublicationGreen analytical chemistry introduces the ideas of reduction ofanalytical activities impact on the environment. However, to bemore sustainable, analytical chemistry should include socialaspects in greater manner. In this light‘equitable’analyticalprocedures, which are easily available in terms of price andapplicability by everyday user, are developed. These positivetrends are observed as many procedures, based on commonlyused for...
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The adiabatic potentials of low-lying electronic states of the NaRb molecule
PublicationAdiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry Σ+, six states of the symmetry Π, and two states of the symmetry Δ are obtained by the nonrelativistic quantum chemical method used with pseudopotentials describing the interaction of valence electrons with atomic cores. Analysis is based on a comparison with the results of other theoretical...
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Green analytical chemistry: Social dimension and teaching
PublicationGreen Analytical Chemistry (GAC) is the idea which every analytical chemist should be familiar of. Due to continuous improvement in the subject both from the aspects of theory and experimentation, the dynamic way analytical chemistry studies are evolving in the frame of chemistry degrees should not be surprising. Recently, many efforts have been made in order to include Green Chemistry principles to Education, also in the field...
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Metrics for green analytical chemistry
PublicationGreen analytical chemistry, although not being a new concept, does not have a greenness metrics system. Green chemistry metrics are not suitable for analytical procedure assessment because they often refer to the mass of the product. Some efforts have been made to develop suitable metrics for analytical chemistry. Some are simple to use but do not cover all aspects of analytical methods’ environmental impact. Others are more comprehensive...
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History and Milestones of Green Analytical Chemistry
PublicationDue to the increased environmental consciousness, Green Analytical Chemistry (GAC) is an important concept steadily gaining popularity, as its implementation facilitates the decrease the detrimental effect analytical chemistry methodologies may have on the environment. In this chapter, a brief overview of the history of Green Analytical Chemistry (GAC) and its milestones was given. Emphasis has been put on the beginnings of green...
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Green analytical chemistry as an integral part of sustainable education development
PublicationGreen chemistry is an important way of thinking in the field of chemistry and aims to conduct processes in accordance with the principles of sustainable development. It is the application of a wide range of principles that minimize the impact of both chemical processes and products on the environment. And what about analytical chemistry? Without a doubt, analytical chemistry plays an important role in the sustainable development...
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Calculation of adiabatic potentials of Li2
PublicationPrezentujemy adiabatyczne krzywe energii potencjalnej jonu cząsteczki litu. Krzywe zostały stabelowane według odległości międzyatomowej: od 2ao do 100ao. Nasze teoretyczne wyniki zostały porównane z wynikami innych autorów oraz z krzywymi potencjałów energii uzyskanymi w wyniku eksperymentów. Wszystkie obliczenia zostały wykonane przy użyciu programu MOLPRO.
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Calculation of adiabatic potentials of Li2
PublicationInformujemy o adiabatycznych krzywych energii potencjalnej cząsteczki litu. Nasze krzywe są stabelowane według odległości międzyatomowej od 3,2 a0 do 88a0. Porównujemy nasze wyniki teoretyczne z wynikami obliczonymi przez innych autorów oraz krzywymi energii potencjalnej wyprowadzonymi z eksperymentów. W naszym podejściu używamy metody konfiguracji wzajemnego oddziaływania, gdzie tylko elektrony walencyjne atomu Li są traktowane...
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Experimental investigations on adiabatic frictional pressure drops of R134a during flow in 5mm diameter channel
PublicationThe article presents detailed two-phase adiabatic pressure drops data for refrigerant R134a at a saturation pressure of 5.5 bar corresponding to the saturation temperature of 19.4 °C. Study cases have been set for a mass flux varying from 100 to 500 kg/m2 s. The frictional pressure drop was characterized for the refrigerant R134a, for vapor qualities ranging from 0 to 1. Long-time thermal stability of test facility allowed to gather...
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Green analytical chemistry : theory and practice
PublicationThis tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important...
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Direct chromatographic methods in the context of green analytical chemistry
PublicationWe review analytical protocols based on gas and liquid chromatography (GC and LC), but involving no sample preparation.Green analytical chemistry seeks to minimize negative impacts of analytical chemistry. Direct analytical methods ideally fulfillthis requirement, as they preclude sample preparation - the most polluting step of the analytical procedure.We describe examples of GC methodologies for environmental and food analysis...
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Investigations on mixture preparation for two phase adiabatic pressure drop of R134a flowing in 5 mm diameter channel
PublicationThe article presents detailed two-phase adiabatic pressure drops data for refrigerant R134a. Study cases have been set for a mass flux varying from 200 to 400 kg/m2 s, at the saturation temperature of 19.4 ◦C. Obtained experimental data was compared with the available correlations from the literature for the frictional pressure drop during adiabatic flow. Influence of mixture preparation on pressure drop was investigated, for...
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The role of analytical chemistry in the study of the Anthropocene
PublicationThe term “Anthropocene” refers to not yet formalized epoch of geologic time during which geologic processes have been dominated by the human impact. This impact takes on many forms. Biological, physical and chemical changes to the Earth System caused by anthropogenic activity are recorded in natural archives either as new fossil assemblages (neobiota), anthropogenic deposits or a wide variety of pollutants emitted to the environment....
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The 12 principles of green analytical chemistry and the SIGNIFICANCE mnemonic of green analytical practices
PublicationThe current rapid development of green analytical chemistry (GAC) requires clear, concise guidelines in the form of GAC principles that will be helpful in greening laboratory practices. The existing principles of green chemistry and green engineering need revision for their use in GAC because they do not fully meet the needs of analytical chemistry. In this article we propose a set of 12 principles consisting of known concepts...
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Green analytical chemistry metrics: A review
PublicationGreen analytical chemistry encourages reducing the use of toxic chemicals/reagents, using energy-efficient equipment, and generating minimal waste. The recent trends in analytical method development focus on the miniaturization of the sample preparation devices, the development of solventless or solvent-minimized extraction techniques, and the utilization of less toxic solvents. The twelve principles of GAC serve as a basic guideline...
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Metal-Organic Frameworks in Green Analytical Chemistry
PublicationTaking into consideration the rapid expansion of MOFs applications in the analytical chemistry area, it is important to evaluate the existing and future analytical MOF-based methods according to GAC principles. From this point of view, eco-friendly MOFs-based methods should include features such as: green design and synthesis of MOF, evaluation of toxicity issues of MOFs, and incorporation of MOFs in GAC methods. This Chapter will...
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Green Analytical Chemistry: Summary of Existing Knowledge and Future Trends
PublicationAnalysis of recent publications in green analytical chemistry shows the current trends and future needs in this area. The main issues are related with search for cheaper, more efficient, more accurate, greener and miniaturized alternatives. Miniaturization is perhaps, the most notable current trend in analytical chemistry. Rapid developments and improvements in instrumentation have led to impressive range of benchtop technology...
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The 15th Workshop on Progress in Trace Metal Speciation for Environmental Analytical Chemistry
PublicationArtykuł jest sprawozdaniem z konferencji TRACESPEC - the 15th Workshop on progress in trace Metal Speciation for Environmental Analytical Chemistry, ktora odbyla sie we wrzesniu 2016 na Politechnice Gdańskiej. W artykule przedstawiono głowne cele i załozenia konferencji oraz opisano program naukowy.
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Adiabatic potential energy surfaces of the vinoxy radical
PublicationZostały obliczone powierzchnie energetyczne stanu podstawowego i dwóch najniższych stanów wzbudzonych.
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Chemometrics approaches to green analytical chemistry procedure development
PublicationChemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing...
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Optimization of liquid chromatographic separation of pharmaceuticals within green analytical chemistry framework
PublicationThe contribution is aimed at the development of methodology that allows to consider green analytical chemistry criteria during optimization of liquid chromatographic separation with design of experiment. The objectives of the optimization are maximization of peak areas of five non-steroid anti-inflammatory drugs, maximization of resolution between peaks, with simultaneous shortening of chromatographic separation time and minimization...
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Mussel‐inspired biomaterials: From chemistry to clinic
PublicationAfter several billions of years, nature still makes decisions on its own to identify, develop, and direct the most effective material for phenomena/challenges faced. Likewise, and inspired by the nature, we learned how to take steps in developing new technologies and materials innovations. Wet and strong adhesion by Mytilidae mussels (among which Mytilus edulis—blue mussel and Mytilus californianus—California mussel are the most...
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Green Chemistry in Higher Education: State of the Art, Challenges, and Future Trends
PublicationNowadays, there is increasing interest in global sustainability, and thus, university students would like to know how human actions affect the health status of our planet. This is mainly due to their basic knowledge of problems such as global warming and greenhouse gases. Students would like to gain knowledge on how to safeguard the earth for future generations. This must involve changes in education programs at interested institutions...
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Study of the effect of adiabatic heating on the operation of the electrodynamic actuator
PublicationElectrodynamic actuators are used in hybrid switching systems where a very quick contact separation as well as operation repeatability and long-term reliability are required. The article presents selected results of thermal studies in the electrodynamic drive system. Study was carried out on the basis of the 3D electromagneto-thermal model implemented in the Ansys_Maxwell environment. The present model allows to determine the critical...
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Green analytical chemistry introduction to chloropropanols determination at no economic and analytical performance costs?
PublicationIn this study we perform ranking of analytical procedures for 3-monochloropopane-1,2-diol determination in soy sauces with PROMETHEE method. Multicriteria decision analysis was performed for three different scenarios – metrological, economic and environmental, by application different weights to decision making criteria. All three scenarios indicate capillary electrophoresis – based procedure as the most preferable. Apart from...
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublicationFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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Dew Formation and Chemistry Near a Motorway in Poland
PublicationIn this study, the influence of traffic intensity on dewformation efficiency and chemistry is presented. The measurementswere conducted near the A4 motorway in SW Poland in almost flatland relief with intense agricultural activity. The dew/hoarfrost wascollected by means of insulated plain passive radiative condensersat three sites: AN and AS located in the close vicinity of themotorway (30 m) on the opposite sides of the road,...
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Application of deep eutectic solvents (DES) in analytical chemistry
PublicationRecent years have been associated with efforts to reduce the impact on the natural environment. A greener approach has been introduced in various areas of science, including analytical chemistry. One of the basic procedures for preparing a sample for analysis is its extraction. Traditional methods involve the use of large amounts of organic compounds, often toxic, with an unfavorable impact on the environment. A representative...
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Introduction to Green Chemistry, by Albert Matlack
PublicationTemat tzw. ''zielonej chemii'' zyskuje coraz większą uwagę dlatego też wiekszośc uczelni skupia się na jego znaczeniu. Media coraz częściej podejmują ten temat i dzięki temu następuje powolny ale stopniowy wzrost świadomości społeczeństwa dlatego też skomentowana ksiązka wypełnia pustkę w klasycznej literaturze chemicznej.
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublicationIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Breakdown of Adiabatic Superconductivity in Ca-Doped h-BN Monolayer
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Short-Term Observations of Rainfall Chemistry Composition in Bellsund (SW Spitsbergen, Svalbard)
PublicationGlobal warming results in increasingly widespread wildfires, mostly in Siberia, but also in North America and Europe, which are responsible for the uncontrollable emission of pollutants, also to the High Arctic region. This study examines 11 samples of rainfall collected in August in a coastal area of southern Bellsund (Svalbard, Norway). It covers detailed analysis of major ions (i.e., Cl−, NO3−, and SO42−) and elements (i.e.,...
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Liquid Crystals in Analytical Chemistry: A Review
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Greener organic solvents in analytical chemistry
PublicationThe paper presents the most recent advances in analytical applications of greener organic solvents. Substitution of problematic solvents with more benign organic ones is much easier than shifting to technique applying alternative solvents, such as ionic liquids or supercritical fluids. In the area of liquid chromatography greener mobile phases, much attention is given to application ethanol or acetone instead of acetonitrile. Solvent-based...
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Urban dew formation efficiency and chemistry in Poland
PublicationThe measurements of dew formation efficiency and chemistry were performed in Poland in September 2009, as a part of a longer, two-year sampling campaign. Pairs of sites, representing centers of major Polish cities and rural conditions in three different regions, were compared. With the aim to get more detailed landuse-oriented characteristics of dew, two additional sites were set close to Wroclaw. Collection of dew at each site...
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Water chemistry of tundra lakes in the periglacial zone of the Bellsund Fiord (Svalbard) in the summer of 2013
PublicationClimate changes observed in the Arctic (e.g. permafrost degradation, glacier retreat) may have significant influence on sensitive polar wetlands. The main objectives of this paper are defining chemical features of water within six small arctic lakes located in Bellsund (Svalbard) in the area of continuous permafrost occurrence. The unique environmental conditions of the study area offer an opportunity to observe phenomena influencing...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245