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Search results for: LI-ION BATTERY
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Pressure in charge. Neglected parameter in hydrothermal synthesis turns out to be crucial for electrochemical properties of ammonium vanadates
PublicationAmmonium vanadates are of great interest as they exhibit unusual electrical and sensory properties.(NH4)2V6O16and (NH4)2V10O25$8H2O with various morphology were obtained in the hydrothermalsynthesis under controlled temperature and pressure. It was shown, that the pure (NH4)2V10O25$8H2Owas obtained under 50 bar of initial pressure, whereas lower pressure lead to the mixture of twocompounds. The influence of the pressure was studied...
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[N,N'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)-2[kappa]2N,N']-[mu]2-chlorido-1:2[kappa]2Cl:Cl-chlorido-2[kappa]Cl-bis(1,2-dimethoxyethane-1[kappa]2O,O')iron(II)lithium
PublicationIn the title compound, [FeLi(C29H41N2)Cl2(C4H10O2)2], theFeII atom is coordinated by two N and two Cl atoms,generating a distorted FeN2Cl2 tetrahedral geometry. Additionally,one of the chloride atoms bridges to a lithium ion,which is solvated by two dimethoxyethane molecules and iscoordinated in a distorted trigonal-bipyramidal environment.The central Fe, Cl (*2) and Li atoms are coplanar with amaximum deviation of 0.034 A ° .
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Family Tree for Aqueous Organic Redox Couples for Redox Flow Battery Electrolytes: A Conceptual Review
PublicationRedox flow batteries (RFBs) are an increasingly attractive option for renewable energy storage, thus providing flexibility for the supply of electrical energy. In recent years, research in this type of battery storage has been shifted from metal-ion based electrolytes to soluble organic redox-active compounds. Aqueous-based organic electrolytes are considered as more promising electrolytes to achieve “green”, safe, and low-cost...
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Onboard Energy Storage and Power Management Systems forAll-Electric Cargo Vessel Concept
PublicationThis paper presents an innovative approach to the design of a forthcoming, fully electric-powered cargo vessel. This work begins by defining problems that need to be solved when designingvessels of this kind. Using available literature and market research, a solution for the design of apower management system and a battery management system for a cargo vessel of up to 1504 TEUcapacity was developed. The proposed solution contains...
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Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
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Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublicationMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
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Influence of Operation Conditions on Temperature Hazard of Lithium-Iron-Phosphate (LiFePO4) Cells
PublicationThe article presents and discusses the results of research on hazard, especially temperature, for selected lithium-ion-phosphate cells operated in accordance with the manufacturer’s recommendations but used under onerous mining conditions. This applies to the performance of cells in battery sets without the application of any management system (BMS). On the basis of the obtained test results, first of all, the influence of the...
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Electrochemical Activity of Electrode Material Consisting of Porous Copper and Silica Aerogel
PublicationElectrochemically obtained copper was combined with silica aerogel (SiO2ag). Obtained composite (SiO2@Cu/CuxOy) was tested as an electrode in contact with LiPF6 in EC/DMC electrolyte. The electrochemical measurements showed the presence of complex redox couple activities of SiO2@Cu/CuxOy. This experiment was employed to help in understanding the carbon role used as an electric contact for silica in Li-Ion batteries and clarify...
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SILICA AEROGEL TOWARDS ANODES FOR LITHIUM-ION BATTERIES
PublicationAn increasing demand for electrochemical energy storage and conversion devices stimulates progress in research on electrode and electrolyte materials. In the field of electrodes materials, silicon is the one of the most promising anode materials for Li-ion batteries. However silicon has the drastic volume variation (around 3 times lower on extraction) during insertion and extraction of lithium ions. As an alternative, nanocomposites...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Porous carbon derived from rice husks as sustainable bioresources: insights into the role of micro-/mesoporous hierarchy in hosting active species for lithium–sulphur batteries
PublicationThe exploration of natural resources as sustainable precursors affords a family of green materials. Exploring highly abundant and available biowaste precursors remaining from food processing throughout a scalable and cost-effective material synthesis path is highly important especially for new materials discovery in emerging energy storage technologies such as lithium–sulphur (Li–S) batteries. Herein, we have produced a series...
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A facile strategy for reclaiming discarded graphite and harnessing the rate capabilities of graphite anodes
PublicationGraphite negative electrodes are unbeaten hitherto in lithium-ion batteries (LiBs) due to their unique chemical and physical properties. Thus, the increasing scarcity of graphite resources makes smart recycling or repurposing of discarded graphite particularly imperative. However, the current recycling techniques still need to be improved upon with urgency. Herein a facile and efficient hydrometallurgical process is reported to...
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Silicon Oxycarbide (SiOC) Ceramic Materials as Anodes for Lithium Ion Batteries
PublicationPolymer derived ceramics (PDCs) have attracted attention as alternative anode material for Li-ion batteries. It has been found that ternary SiOC and SiCN ceramics obtained through pyrolysis of various preceramic polymers display high reversible capacities of 500 – 650 mAh/g. In this work we try to correlate the electrochemical performance of polymer derived silicon oxycarbide with its chemical composition and microstructural features....
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Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity
PublicationWe report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries. SiOC ceramics are obtained by pyrolysis of various polysiloxanes synthesized by sol–gel methods. The polysiloxanes contain different organic groups attached to silicon, which influence the chemical composition and the microstructure of the final ceramic product. The structure...
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Polymer derived SiOC/Sn nanocomposites from a low-cost single source precursor as anode materials for lithium storage applications
PublicationMetal- based materials capable of lithium (Li) alloy formation are key to realization of the next generation of high-energy density anodes for Li-ion batteries, owing to their high storage capacity. Designing a good sup- porting matrix is essential for homogeneously nesting these metallic nanodomains, to effectively utilize their high capacity while tackling the volume expansion issues. Silicon oxycarbides (SiOC), obtained via...
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Ac and dc conductivities in v2o5-p2o5 glasses containing alkaline ions
PublicationWe investigated the ac and dc conductivity in 50V2O5-(50 − x)P2O5-xA2O (A = Li, Na, K) glasses as a function of temperature. The measurements were carried out in the frequency range from 10−4 to 107 Hz. For all compositions, the dc conductivity decreased with the increasing alkali ion content. The decrease in conductivity was more pronounced for larger alkali ions. The ac conductivity exhibited a universal dynamic response: σac...
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Properties of LiMnBO3 glasses and nanostructured glass-ceramics
PublicationPolycrystalline LiMnBO3 is a promising cathode material for Li-ion batteries. In this work, we investigated the thermal, structural and electrical properties of glassy and nanocrystallized materials having the same chemical composition. The original glass was obtained via a standard melt-quenching method. SEM and 7Li solid-state NMR indicate that it contains a mixture of two distinct glassy phases. The results suggest that the...
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Synthesis, structure and physical properties of Ru ferrites: BaMRu5O11 (M= Li and Cu) and BaM'2Ru4O11 (M'=Mn, Fe and Co)
PublicationW pracy opisano syntezę, strukturę i właściwości fizyczne pięciu nowych związków z rodziny ferrytów na bazie Ru, których wzór chemiczny jest BaMRu5O11 (M = Li, Cu) i BaM'2Ru4O11 (M' = Mn, Fe, Co).
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Hybrid electrode materials for fast performance devices
PublicationEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Imidazole-Based Lithium Salt LiHDI as a Solid Electrolyte Interphase-Stabilising Additive for Lithium-Conducting Electrolytes
PublicationLithium salt LiHDI (lithium 4,5-dicyano-2-(n-heptafluoropropyl)imidazolide) is proposed as a solid electrolyte interphase-stabilising additive for lithium-ion batteries, which can be added in a smaller amount than fluoroethylene carbonate (FEC) and vinylene carbonate (VC) additives. Electrolytes containing either lithium 4,5-dicyano-2-(trifluoromethyl)imidazolide (LiTDI) or battery-standard LiPF6 were tested with various amounts...
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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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Syntheses and crystal structures of lithium derivatives of diphosphanes R2P-P(SiMe3)Li·3L, R = Ph, iPr and iPr2N, L = THF or DME
PublicationW wyniku reakcji R2P-P(SiMe3)2 z BuLi w THF lub DME powstają pochodne litowe difosfanów R2P-P(SiMe3)Li·3L. Dla R = iPr oraz iPr2N powstają sole R2P-P(SiMe3)Li·3THF, w których atom litu jest czterokrotnie koordynowany a dla R = Ph powstaje sól [Li·3DME]+[Ph2P-PSiMe3]-, która posiada budowę jonową. W reakcji BuLi z Ph2P-P(SiMe3)2 powstają znaczne ilości produktów ubocznych: Ph2P-PPh2 i LiP(SiMe3)2.
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Tin Oxide Encapsulated into Pyrolyzed Chitosan as a Negative Electrode for Lithium Ion Batteries
PublicationTin oxide is one of the most promising electrode materials as a negative electrode for lithium-ion batteries due to its higher theoretical specific capacity than graphite. However, it suffers lack of stability due to volume changes and low electrical conductivity while cycling. To overcome these issues, a new composite consisting of SnO2 and carbonaceous matrix was fabricated. Naturally abundant and renewable chitosan was chosen...
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The first compound with an unusual type of anion, [Li(SR)2]-:bis(µ2-aqua-d2)tetrakis(aqua-d2)]dilithium(I)bis[bis(tri-tert-butoxysilanethiolato-k2O,S)lithate(I)]dihydrate-d2
PublicationTytułowy związek [Li2(D2O)6][Li(C9H27SSiO3)2]2*2D2O, jest pierwszym związkiem z wiązaniem S-M (M-metal alkaliczny), zawierającym niespotykany typ anionu litanowego: [Li(SR)2]-,gdzie R=Si{OC{CH3)3}3. Centrum symetrii związku znajduję się pośrodku pierścienia Li2O2 wchodzącego w skład kationu. Wszystkie atomy litu budujące rdzenie kationów - LiO4 i anionów - LiO2S2, są czterokoordynacyjne. Jednoujemne aniony [Li(SR)2]- są dobrze...
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Determination of nine high-intensity sweeteners in various foods by high-performance liquid chromatography with mass spectrometric detection
PublicationAn analytical procedure involving solid-phase extraction (SPE) and high-performance liquid chromatography-mass spectrometry has been developed for the determination of nine high-intensity sweeteners authorised in the EU; acesulfame-K (ACS-K), aspartame (ASP), alitame (ALI), cyclamate (CYC), dulcin (DUL), neohesperidin dihydrochalcone (NHDC), neotame (NEO), saccharin (SAC) and sucralose (SCL) in a variety of food samples (i.e. beverages,...
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Autonomous Battery Drive in Trolleybuses: an Overview of Practical Examples
PublicationBattery electric buses are believed to be means of transportation of the future. However, despite the continuous development of electrochemical batteries technology and the multitude of electric buses on offer, it is still no proved solutions that can be widely used. Charging is the one of the weakness point of the electric buses. Trolleybuses are alternative for them. Especially, trolleybuses equipment with traction batteries...
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Hybrid battery based on arylated carbon nanotubes and laccase
PublicationSingle-walled carbon nanotubes (SWCNT) were covalently modified with anthracene and anthraquinone and used for the construction of cathodes for biocatalytic reduction of dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron transfer (DET) between the enzyme and the electrode. The aryl groups enter the hydrophobic pocket of the...
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Sea, River, Lake Ice Properties and Their Applications in Practices
PublicationThis Special Issue aims to highlight research articles focusing on the geographical scale of glacier and lake ice variations, as well as the engineering scale of ice properties and their practical applications via laboratory tests and numerical modeling. Additionally, it includes research on ecosystems under lake ice. The main goal is successfully achieved through the joint efforts of authors, anonymous reviewers, and editorial...
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Hard carbon derived from rice husk as low cost negative electrodes in Na-ion batteries
PublicationHere, we report the synthesis of hard carbon materials (RH) made from natural rice husk through a single pyrolysis process and their application as an anode in sodium-ion batteries. The studies show that the electrochemical properties of RHs are affected by the treatment temperatures, which determine the materials morphology, in particular, their degree of graphitization and extent of continuous channels (nanovoids). The latter...
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An Efficient PEEC-Based Method for Full-Wave Analysis of Microstrip Structures
PublicationThis article introduces an efficient method for the equivalent circuit characterization and full-wave analysis of microstrip structures, leveraging the full-wave partial element equivalent circuit (PEEC). In particular, the multilayered Green's function is evaluated using the discrete complex-image method (DCIM) and employed to establish the mixed potential integral equations. The proposed strategy considers time delays for the...
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Three modes of electrochemical impedance spectroscopy measurements performed on vanadium redox flow battery
PublicationThis article presents an innovative approach to monitor working redox flow batteries using dynamic electrochemical impedance spectroscopy, diverging from the commonly sequential impedance methods carried out under potentiostatic or galvanostatic conditions close to the open circle voltage. The authors introduce a fresh variation of dynamic impedance measurement that leverages an amplitude-modulated multi-frequency alternating current...
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Determination of cyanide ion in urine samples using ion chromatography with pulsed amperometric detection.
PublicationCyanides are widely applied in industrial activity, including gold and silver mining and the production of organic chemicals. HCN is also formed directly from fossil fuel combustion sources from gasoline and diesel vehicles. In natural environment, in plants seeds for example an apple seed, it exists as a cyanogenic glycosides. The amount of cyanide ions originating from food products is however rather small. Larger concentrations...
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Dopants and gas modifiers in ion mobility spectrometry
PublicationThe ion mobility techniques, including the most commonly used drift-tube ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS), are used successfully for the detection of a wide range of organic compounds in the gas phase. In order to improve detection quality, admixtures are added to gas streams flowing through the detector. Dopants mostly prevent the ionization of interfering chemicals however, better detection...
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Compensation of Voltage Drops in Trolleybus Supply System Using Battery-Based Buffer Station
PublicationThis paper analyzes the results of a trial operation of a battery-based buffer station supporting a selected section of trolleybus power supply systems in Pilsen, Czech Republic. The buffer station aims to prevent the catenary from excessive voltage drops in a part of the route that is most remote from the traction substation. Compensation of voltage drops is carried out by continuously measuring the catenary voltage and injecting...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Selective Synthesis of Magnetite Nanospheres with Controllable Morphologies on CNTs and Application to Lithium‐Ion Batteries
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Tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels for non-enzymatic glucose sensing
PublicationIn this work, tetrahedrally modified MnMe0.1Co1.9O4 (Me = Zn, Mg, Li) spinels were prepared via the sol–gel synthesis method with subsequent ball-milling fragmentation. The prepared samples were evaluated as glucose–sensing catalyst. The reference MnCo2O4 spinel exhibited a sensitivity of 49 µA mM−1 cm−2 and a nonlinearity error of 5.2% in the response range from 0.02 to 1 mM. The partial substitution of cobalt in the reference...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Chinese, Huan Li, WZiE, BiM, I st, 2 sem, 23/24L
e-Learning Courses -
Chinese, Huan Li, WZiE, BiM, I st, 4 sem, 23/24L
e-Learning Courses -
Application of electrochemical impedance spectroscopy to monitoring discharging process of nickel/metal hydride battery.
PublicationThis paper presents the possibility of applying impedance analysis to cell diagnostics. In order to obtain characteristic curves of both electrodes of a NiMH battery simultaneously, a reference electrode was added into the circuit. The authors analysed the cell under three cases, i.e. when its properties are determined only by the state of the positive electrode, only by the state of the negative electrode, or when both electrodes...
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Ion Chromatography in Environmental Analysis of Selected Organic Acids
PublicationLow molecular mass carboxylic acids (LCAs) occur in many environmental compartments dueto natural processes and human activity. When volatile and nonvolatile acids are to be monitored then liquidchromatography, including ion chromatography seems a method of choice. At high pH the acids are inionized form and can be separated as carboxylats by means of anion exchange chromatography. LCAs canalso be separated at low pH by ion exclusion...
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Chinese, Huan Li, WZiE, BiM, III st, 5 sem, 22/23z
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Chinese, Huan Li, WZiE, BiM, II st, 3 sem, 21/22z
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Chinese, Huan Li, WZiE, BiM, III st, 5 sem, 21/22z
e-Learning Courses -
Chinese, Huan Li, WZiE, BiM, II st, 3 sem, 22/23z
e-Learning Courses