IR Spectroscopy in Rank and Group Assignment of Coal

The possibility of express determination of the characteristics V _IR ^daf , R_{o, IR}, y_IR, ΣLC_IR, and A _IR ^d used in the ranking of coal on the basis of IR spectroscopy is assessed for a specific example: Kuznetsk coals of different maceral composition and metamorphic development. The IR characteristics are compared with values obtained by standard methods (V^daf, R_{o, r, y}, ΣLC, and A^d).     

Moisture-holding capacity of coals

As a result of a comprehensive study of 63 samples of coal concentrates (from Ukraine, Russia and countries outside the former Soviet Union), it was established that the prediction of the moisture-holding capacity of coals can be appropriately performed according to their values of W ^a, R ₀, O _d ^daf , and O _s ^daf . It was found that the oxidation of coal increased its moisture-holding capacity; however, in this case, the absolute change in this parameter was smaller than the error of its determination (0.5%). Therefore, upon the oxidation of almost 30% of the organic matter of coal, the moisture-holding capacity increased by only 0.4%. There is a close correlation between the maximum moisture capacity of coals and the water pore volume, and this correlation was described by a linear equation in the studies.     

Predicting the classification characteristics of coal. Part 2. Maximum moisture content

Analysis of 63 samples of coal concentrates (from Ukraine, Russia, the United States, Canada, Australia, and Poland) currently employed at Ukrainian coke plants indicates that the prediction of the maximum moisture content of coal may expediently be based on R _o and Q _s ^daf , determined, respectively, in plant laboratories and in power-station laboratories. The maximum moisture content of metamorphically distinct coals does not depend on their ash content (in the range 3.7–35.3%) nor on the chemical composition of the ash, expressed by the basicity index B _b (in the range 1.24–27.18) and the base/acid ratio I _b (in the range 0.198–1.832). Although the oxidation of coal also increases the maximum moisture content, this change is less than the error in its determination (0.5%). The oxidation of practically 30% of the coal’s organic mass increases the maximum moisture content by no more than 0.4%     

Emission control in the combustion of coal–water and organic coal–water fuels

Promising methods for decreasing anthropogenic emissions due to the combustion of coals of different ranks and coal–water fuel (CWF) and organic coal–water fuel (OCWF) slurries on their basis are considered. The maximum concentrations of the main anthropogenic emissions of sulfur, nitrogen, and carbon oxides (SO _x , NO _x , and CO _x ) formed upon the combustion of solid fuels in a powdered state and as the components of CWF and OCWF slurries were determined. The concentrations of the most hazardous oxides formed upon the combustion of coals of different ranks (brown and black coals) and CWF and OCWF slurries were compared. The experimental results substantiated the use of CWF and OCWF slurries for emission control in coal-burning power engineering. The addition of a combustible liquid component to a CWF slurry (the production of an OCWF slurry) makes it possible to ensure acceptable environmental and energy characteristics.     

Assessing the technological value of coal in coking

Coking coal of the same rank from different countries and fields may be distinguished in terms of use value by rating on the basis of seven technological and petrographic characteristics that determine the coke yield and properties: the ash content A^d; the total sulfur content S_t^d; the yield of volatiles V^daf; the plastic-layer thickness y; the vitrinite reflection coefficient R_o; the content of vitrinite-group macerals Vt; and the basicity index B_b. A range of values and a rating (on a scale from 1 to 10) are established for each of these parameters. Each rating corresponds to a particular score (from 0.1 to 1.0). Ranges of A^d, S_t^d, Vt, and B_b are established for the whole metamorphic series, while ranges of V^daf, y, and R_o are established for individual ranks and groups of ranks. Altogether, 105 coking coals from Ukraine, Russia, the United States, Australia, and Canada that are used at Ukrainian coke plants are investigated. The range of rating scores and their mean values are determined for individual coal ranks and groups. As an example, three bituminous coals from Ukraine, the United States, and Australia are compared by the proposed method. This method permits objective assessment of the technological value of coal within a single rank and the selection of the best purchase option.     

Composition and properties of coals from the Yurty coal occurrence

Coals from the Yurty coal occurrence were studied. It was found that the samples were brown non-coking coals with low sulfur contents (to 1%) and high yields of volatile substances (V ^daf to 53.4%). The high heat value of coals Q _s ^daf was 20.6–27.7 MJ/kg. The humic acid content varied from 5.45 to 77.62%. The mineral matter mainly consisted of kaolinite, α-quartz, and microcline. The concentration of toxic elements did not reach hazardous values.     

Fe<Subscript>3</Subscript>O<Subscript>4</Subscript> nanoparticles coated by new functionalized tetraaza-2,3 dialdehyde micro-crystalline cellulose: synthesis,characterization, and catalytic application for degradation of Acid Yellow 17

In this study, we developed an original approach for preparing cellulose-coated magnetite nanoparticles (NPs). Two novel Schiff bases (PDA-g-DAC) and [Bz-(PDA-g-DAC)] were synthesized via condensation reactions of periodate oxidized micro-crystalline cellulose (DAC) with o-phenylene diamine (PDA) to obtain its azomethine derivative with 85% yield. Subsequently, the functionalization of (PDA-g-DAC) with benzil (Bz) yields the tetraaza macrocycle [Bz-(PDA-g-DAC)]. The physicochemical characterization of the condensation products was performed using ¹³CNMR, FTIR, ATG, DSC, and X-ray diffraction techniques. Magnetic nanomaterial-based Schiff base cellulose was successfully prepared using in situ chemical co-precipitation of coordinated ferric and ferrous ions in cellulose Schiff base matrix under optimized conditions, and then, its magnetic properties were characterized. The results demonstrated that the Fe₃O₄ NPs coated with [Bz-(PDA-g-DAC)] were homogeneously coated in the matrix under ultrasonic irradiation with the saturation magnetization of 69.50 emu g^?1. In addition, XRD line broadening analysis showed that the average particle size of the NPs was 37.3 nm. Furthermore, FTIR spectra demonstrated that [Bz-(PDA-g-DAC)] concavity was anchored to magnetite Fe₃O₄ NPs through azomethine groups. Vibrating sample magnetometry (VSM) of [Bz-(PDA-g-DAC)@Fe₃O₄] magnetic nanocomposite samples showed the typical behavior of ferromagnetism. This study provided a green and facile method to inhibit magnetic nanoparticle aggregation. Activity results revealed that the prepared [Bz-(PDA-g-DAC)@Fe₃O₄] catalyst shows the maximum activity for degradation of Acid Yellow 17 (AY17) compared to other prepared catalysts. After degradation reaction, the [Bz-(PDA-g-DAC)@Fe₃O₄] catalyst was recovered from the reaction mixture via an external magnet and used for further five consecutive cycles with excellent catalytic activity, successively, which was comparable to the fresh catalyst. The catalyst degradation efficiency and its easy separation exhibited that [Bz-(PDA-g-DAC)@Fe₃O₄] catalyst is a promising material for the removal of AY17 from aqueous solutions in green chemistry perspectives.     

Synthesis and Characterization of pH-Responsive Organic–Inorganic Hybrid Material with Excellent Catalytic Activity

Poly(N-isopropylmethacrylamide-co-methacrylic acid) [p(NipAam-Mac)] microgels were synthesized and used as microreactors to fabricate silver nanoparticles. Pure and hybrid microgels were characterized using Ultraviolet–Visible (UV/Vis) spectroscopy, Fourier transform infra-red (FTIR) spectroscopy and transmission electron microscopy (TEM). Catalytic activity of hybrid microgels and mechanism of catalysis by this system was explored using different reaction conditions. At the same temperature, apparent rate constant (k_app) was found to be varied from 0.0414 to 0.7852 min^?1 by increasing the concentration of NaBH₄ from 2.49 to 22.41 mM at constant concentration of substrate and catalyst. However upon extra increase in concentration of NaBH₄ from 22.41 to 37.35 mM reduced the value of k_app to 0.2178 min^?1. Likewise, the value of k_app was found to be increased from 0.1242 to 0.5495 min^?1 with increasing the concentration of 4-nitrophenol [Para-nitrophenol (p-Np)] from 0.063 to 0.079 mM keeping other parameters constant. Further increase in concentration of p-Np caused decline in the value of k_app. Kinetic data reveals that catalytic reduction of p-Np obeys Langmuir–Hinshelwood mechanism and p-Np is converted to p-Ap on the surface of the silver nanoparticles passing through various reaction intermediates.     

Classification of fossil fuels according to structural-chemical characteristics

On the basis of a set of linear equations that relate the amount of major elements n _E (E = C, H, O, N, S) in the organic matter of fossil fuels to structural characteristics, such as the number of cycles R, the number of atoms n _E, the number of mutual chemical bonds, the degree of unsaturation of the structure δ, and the extent of its reduction B, a structural-chemical classification of fossil coals that is closely related to the parameters of the industrial-genetic classification (GOST 25543-88) is proposed. Structural-chemical classification diagrams are constructed for power-generating coals of Russia; coking coals; and coals designed for nonfuel purposes including the manufacture of adsorbents, synthetic liquid fuel, ion exchangers, thermal graphite, and carbon-graphite materials.     

Supramolecular Architectures in Three Metal(II) Coordination Polymers with 2,5-Dichloroterephthalate and Flexible Bis(Benzimidazole) Ligands

Three supramolecular coordination polymers, namely [Ni(L1)(DCTP)(H₂O)] _n (1), [Cu(L2)(DCTP)] _n (2), [Co(L3)(DCTP)] _n (3) (L1?=?1,5-bis(5,6-dimethylbenzimidazole)pentane, L2?=?1,4-bis(5,6-dimethylbenzimidazole)butane, L3?=?1,4-bis(benzimidazole)-2-butylene) have been hydrothermally synthesized and characterized by single crystal X-ray structure determination, FT-IR, elemental analysis, X-ray powder diffraction (XPD), and thermogravimetric analysis (TGA). CP 1 exhibits 2D 6³ honeycombed network structure, which is further extended into a 3D Moganite (mog) supramolecular framework by classical O–H?O hydrogen-bonding interaction. CPs 2 –3 present 2D (4,4) layers, and 3D supramolecular frameworks that are formed by π–π stacking interactions. Furthermore, the catalytic activities of CPs 1–3 for the degradation of methyl orange in a Fenton-like process has been investigated, and CPs 1–3 show strong photoluminescence properties at room temperature in solid state.     

Mixed Stability and Antimicrobial Properties of Gluconamide-Type Cationic Surfactants

The stability of anionic-cationic surfactant solutions and the antimicrobial properties of novel N,N-dimethyl-N-[3-(gluconamide/lactobionamide)]propyl-N-alkylammonium bromides (CnDGPB and CnDLPB), N-methyl-N-hydroxyethyl group-N-[3-(gluconamide)-propyl]-N-alkylammonium bromide (CnMHGPB) and star-shaped gluconamide-type cationic surfactants N-dodecyl-N,N-bis[(3-d-gluconylamido)propyl]-N-alkylammonium bromide (CnDBGB) were investigated. Mixed stability in combination with sodium n-alkylbenzenesulfonate (LAS) was determined via transmittance; stability is achieved when percent transmittance was greater than 90 %. Transmittance results suggest that these cationic surfactants can form stable solutions with anionic surfactants over a broad concentration range. The inhibition activity of C _n DBGB is the best among the three kinds of glucocationic surfactants. Antimicrobial activity of C₁₂ surfactants was the best, C₁₄ was the second and C₁₀ was the worst. Moreover, antibacterial activity of glucose-based cationic surfactants was greater than lactose-based cationic surfactants.     

Structure and mechanical destruction of coal

Parameters characterizing the structural strength K _st and physical strength K _ms of coal are proposed. These parameters are suitable for estimating the change in state of the coal under the mechanical action of external forces. Their ratio permits ongoing determination of the mechanical destruction K _md of genetically inhomogeneous coals characterized by different degrees of oxidation.     

Time dependence of the aggregation of star-shaped poly(2-isopropyl-2-oxazolines) in aqueous solutions

The paper concerns the analysis of time t _eq required to equilibrium state achievement in aqueous solutions of star-shaped poly(2-isopropyl-2-oxazolines) (PiPrOx) after changing temperature. The discussed data were obtained for PiPrOx differing in arm number and length. For all samples, high t _eq values, half an hour at least, were obtained because of rather high intramolecular density. The dependence t _eq on temperature displayed maximum near the phase separation beginning due to the aggregate growth and redistribution of scattering particles. The maximum times t _eq increased symbatically with arm number and length. The higher energy of the hydrogen bond formed by deuterium isotope leads to the growth of the t _eq values as compared to solutions in H₂O.     

Structural Analysis of Nano Ferrites Synthesized by Combustion and Microwave Methods

We suggest a new approach to synthesis of nano nickel ferrites via combustion synthesis in electric and microwave ovens. The oxidation of organic compounds, decomposition of salts, and their degradation were explored by TGA–DTA. As-prepared nanopowders were characterized by X-ray powder diffraction. Structures of both ferrites were slightly different. Detailed material parameters such as crystallite size (D), lattice constant (a), micro strain (ε), X-ray density (Δ_X), dislocation density (ρ_X), hopping lengths (L_A and L_B), bond lengths (A–O and B–O), ionic radii (r_A and r_B), texture coefficient [TC(hkl)], and mechanical properties were measured and comparatively analyzed.     

Synthesis,Characterization and Catalytic Activities of Palladium(II) Nitroaryl Complexes

Two palladium(II) nitroaryl complexes trans-[bromo(p-nitrophenyl)bis(triphenylphosphine)palladium(II)] 1 and trans-[bromo(2,4-dinitrophenyl)bis(triphenylphosphine)palladium(II)] 2 have been synthesized. The complexes were characterized by FTIR and NMR (¹H, ¹³C and ³¹P) spectroscopy and elemental analysis. The molecular structure of complex 2, as confirmed by X-ray crystallography, reveals that the Pd atom and its neighboring groups (two PPh₃, Br and phenylene group) lie in a slightly distorted square plane. In the UV–Vis spectra of the complexes 1 and 2, the palladium to aryl charge transfer bands were observed. The emission peaks from the singlet excited states (S₁ → S₀) were observed in the photoluminescence spectra of the complexes. The thermal stability of the complexes has been studied by thermal gravimetric analysis (TGA). TGA data showed that both complexes are thermally stable up to 200 °C, and complex 1 is more stable than 2. The catalytic efficiency of the new palladium(II) complexes was studied as demonstrated using the Sonogashira coupling reactions with good yields. The experimental results suggest that the Sonogashira coupling reactions can be performed at moderate temperature (50 °C) using these new palladium(II) complexes as catalysts.     

Syntheses and Characterization of Three Coordination Polymers of Zinc(II) and Cadmium(II) with Dicarboxylates and Bis(thiabendazole) Ligands

Three d ¹⁰ coordination polymers formulated as [Zn(L1)₂(mip)] _n (1), [Zn(L1)(2,6-ndc)] _n (2) and [Cd(L2)_0.5(bpdc)] _n (3) (L1 = 1,1′-(1,3-propanediyl)bis(thiabendazole), L2 = 1,1′-(1,6-hexanediyl)bis(thiabendazole), H₂mip = 5-methylisophthalic acid, 2,6-H₂ndc = 2,6-naphthalenedicarboxylic acid, H₂bpdc = 4,4′-biphenyldicarboxylic acid) were hydrothermally synthesized. Complexes 1–3 were characterized by elemental analysis, IR spectroscopy, X-ray powder diffraction analysis, and single crystal X-ray diffraction. Complexes 1 and 2 present different chain structures, both of them are extended into 2D supramolecular architectures via C–H···O hydrogen bonds, while 3 is a three-fold interpenetrating three-dimensional framework with binodal 4,4-connected mog topology. The thermal stability, UV–visible spectroscopy and luminescence properties of complexes 1–3 were also examined. Furthermore, complex 3 exhibits relatively positive catalytic activity towards the degradation of methyl orange in a Fenton-like process.     

Thermal expansion and polymorphism in a series of rubidium cesium boroleucites

The crystal structure of the boroleucite solid solution Rb_0.40Cs_0.54B_0.94Si_2.06O₆ is refined in space group I-43d by the Rietveld method with the use of the X-ray powder diffraction data. The refinement data complement the available crystal chemical characteristics of Rb_1?x Cs _x BSi₂O₆ solid solutions. The thermal expansion and phase transformations of Rb_1?x Cs _x BSi₂O₆ borosilicates are investigated in parallel by high-temperature X-ray diffraction with conventional powdered samples and by the dilatometric method with samples in the form of pressed pellets. It is demonstrated that the thermal expansion coefficients, as well as the temperatures and sequence of polymorphic transitions, which are determined from the data obtained by two methods are in close agreement. The temperature curve of the I-43d ? Ia3d phase transition for the Rb_1?x Cs _x BSi₂O₆ solid solution system is constructed from the data obtained by both methods. It is shown with the use of the structural data obtained by the Rietveld method that, at temperatures above 800°C, rubidium-cesium boroleucites undergo decomposition due to the release of alkali cations.     

Effect of nitrogen to niobium atomic ratio on superconducting transition temperature of δ-NbN<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> powders

Powders of cubic niobium nitride δ-NbN _x with a particle size of below 20 μm were prepared by reactive diffusion at T = 1455?1475°C under nitrogen pressures of P ₁(N₂) = 0.1?3 MPa and P ₂(N₂) = 25 MPa. For these powders, the values of the stoichiometric coefficient x, lattice parameter a, and the superconducting transition temperature Tc were measured and the a(x), T _c(x) and T _c(a) functions were analyzed. The T _c values were found to linearly grow with increasing a (decreasing structure imperfection). A maximum value of T _c (15.8 K) corresponded to a maximum value of a (4.3934 Å). Maximain the a(x) and T _c(x) curves were found to correspond to a slightly substoichiometric nitride with x = 0.98. Having synthesized cubic niobium nitrides with 0.892 < x < 1.062, we managed to measure the dependences of a and T _c on x all over the almost entire homogeneity range for δ-NbN _x . Our a(x) and T _c(a) functions were found to reasonably agree with those previously reported for SHS-produced δ-NbN _x powders.     

A Comprehensive Study on the Synthesis and Micellization of Disymmetric Gemini Imidazolium Surfactants

Two groups of disymmetric Gemini imidazolium surfactants, [C₁₄C₄C _m im]Br₂ (m = 10, 12, 14) and [C _m C₄C _n im]Br₂ (m + n = 24, m = 12, 14, 16, 18) surfactants, were synthesized and their structures were confirmed by ¹H NMR and ESI–MS spectroscopy. Their adsorption at the air/water interface, thermodynamic parameters and aggregation behavior were explored by means of surface tension, electrical conductivity and steady-state fluorescence. A series of surface activity parameters, including cmc, γ _cmc, π _cmc, pC ₂₀, cmc/C ₂₀, Γ _max and A _min, were obtained from surface tension measurements. The results revealed that the overall hydrophobic chain length (N _c) for [C₁₄C₄C _m im]Br₂ and the disymmetry (m/n) for [C _m C₄C _n im]Br₂ had a significant effect on the surface activity. The cmc values decreased with an increase of N _c or m/n. The thermodynamic parameters of micellization (ΔG _m ^θ , ΔH _m ^θ , ΔS _m ^θ ) derived from the electrical conductivity indicated that the micellization process of [C₁₄C₄C _m im]Br₂ and [C _m C₄C _n im]Br₂ was entropy-driven at different temperatures, but the contribution of ΔH _m ^θ to ΔG _m ^θ was enhanced by increasing N _c or m/n. The micropolarity and micellar aggregation number (N _agg) were estimated by steady-state fluorescence measurements. The results showed that the surfactant with higher N _c or m/n can form larger micelles, due to a tighter micellar structure.     

Predicting the classification characteristics of coal. Part 3. Gross calorific value of dry,ash-free coal

For 63 samples of Ukrainian, Russian, and imported coal, equations for predicting the gross calorific value Q_s^daf on the basis of the following coal characteristics are developed: W^a, O_d^daf, Q_s^af, and C_ar. The error is within the standard tolerances (σ ≤ 0.3 MJ/kg). With sufficient accuracy, Q_s^daf may be predicted from equations based on petrographic characteristics such as the vitrinite reflectance, the content of liptinitegroup minerals, and the sum of lean macerals (I + 2Sv/3). In these equations, the coefficients correspond to the heat of combustion of the vitrinite components at different metamorphic stages, the liptinite, and the lean macerals.