Modeling and simulation of marine SCR system based on Modelica

With the increasing awareness of global marine environmental protection, the emission of ship exhaust pollutants is strictly restricted. Selective catalytic reduction (SCR) technology is the mainstream technology to reduce ship NOx emission and make it meet IMO tier III regulations. A SCR reaction kinetic model based on Modelica language was established by Dymola software to predict the denitration efficiency, ammonia slip rate, and other parameters of SCR system. According to the functional structure of marine SCR system, the SCR system model is divided into urea injection module, mixer module, and SCR reactor module. The model was verified by SCR system bench test of WD10 diesel engine, which proved that the model can preferably reflect the actual situation. Using the established model, the effects of temperature, flow rate, NH3/NOx Stoichiometric Ratio (NSR), and cell density on the denitration performance of SCR system were analyzed. The results showed that the exhaust gas temperature and NSR have a great influence on the denitration efficiency. The injection amount of urea solution in marine SCR system should be based on the exhaust gas temperature and exhaust flow rate.

Influence of Substrate Temperature on Structural and Optical Properties of Co-Evaporated Cu2SnS3/ITO Thin Films

In this study report the structural and optical properties of Copper Tin Sulfide (Cu2SnS3) thin films on indium tin oxide (ITO) substrate using co-evaporation technique. High purity of copper, tin and sulfur were taken as source materials to deposit Cu2SnS3 (CTS) thin films at different substrate temperatures (200-350 °C). Further, the effect of different substrate temperature on the crystallographic, morphological and optical properties of CTS thin films was investigated. The deposited CTS thin films shows tetragonal phase with preferential orientation along (112) plane confirmed by X-ray diffraction. Micro-Raman studies reveled the formation of CTS thin films. The surface morphology, average grain size and rms values of the deposited films are examined by Scanning electron spectroscopy (SEM) and Atomic Force Microscopy (AFM). The Energy dispersive spectroscopy (EDS) shows the presence of copper, tin and sulfur with a nearly stoichiometric ratio. The optical band gap (1.76-1.63 eV) and absorption coefficient (~105 cm-1) of the films was calculated by using UV-Vis-NIR spectroscopy. The values of refractive index, extinction coefficient and permittivity of the deposited films were calculated from the optical transmittance data.

Screening of coformers for quercetin cocrystals through mechanochemical methods

Quercetin (QUE) is a nutraceutical compound that exhibits pharmacological properties such as antioxidant, cardioprotective, anti-ulcer, and anti-inflammatory effects. Although QUE is well-known for its benefits, its efficacy is limited due to low solubility. Thus, cocrystallization acts as an interesting approach to improve the solubility�among other properties�of this compound. In this work, cocrystallization screening was applied through neat grinding (NG) and liquid-assisted grinding (LAG), in which QUE and four cocrystal formers (benzamide,�picolinamide, isonicotinamide, and pyrazinoic acid) were tested. The precursors and QUE-coformer systems were characterized using thermoanalytical techniques (TG-DTA), X-ray powder diffraction (XRPD), and Fourier transform infrared (FTIR) spectroscopy. The results showed the formation of QUE cocrystals with picolinamide and isonicotinamide coformers in a 1:1 stoichiometric ratio. Furthermore, although coformers are isomers, spectroscopic and thermal data suggest that the supramolecular synthons involved in cocrystallization are different.

Простая теория многокомпонентной диффузии и моделирование горения стехиометрической смеси H-=SUB=-2-=/SUB=-/O-=SUB=-2-=/SUB=-

A theory of multicomponent diffusion based on Fick's law is proposed, where, when writing the Maxwell-Stephen equations, a multicomponent mixture is represented as consisting of two components: the isolated substance and all the others with average characteristics. The number of diffusion coefficients is significantly reduced, the method for their calculation is indicated, and they strongly depend on the concentration of the mixture components. Based on the results of this theory, the combustion of an H2/O2 mixture with an equivalence ratio equal to unity was simulated. For each component, great chemical work is carried out with alternating signs, but in total they partially destroy each other. Also, in the chemical reaction zone, there is a strong change in the stoichiometric ratio of the H2 and O2 components.

Microwave-assisted one-pot multicomponent synthesis of indole derived fluorometric probe for detection of Co2+ ions

Cobalt (Co2+) is an essential constituent in the human body while excessive exposure leads to severe systemic toxic reactions which highlight the importance of developing effective methods to detect Co2+ ions. A simple and highly efficient fluorescence enhanced turn OFF-ON chemosensor was synthesized to detect the paramagnetic Co2+. The ligand, N-((1H-indol-3-yl)(phenyl)methyl)aniline (L), was synthesized in 92% yield by means of hydrated ferric chloride catalyzed one -pot multicomponent microwave irradiation in the presence of Indole, benzaldehyde, and aniline as reactants. The major green principles of waste prevention, high atom economy (94.3%), green solvent, higher energy efficiency, and catalysis were the highlights of the ligand synthesis. The ligand exhibited remarkable fluorescence enhancement with Co2+ and a turn ON ratio of over 160-fold in MeOH/H2O (at pH 3.5) solution at an excitation wavelength of 369 nm in the Ultra-Violet range. The detection limit of L- Co2+ was 2.2 μM. The excitation and the emission spectra indicated stoke’s shift of 93 nm which supports the fluorescence enhancement observed in L- Co2+ with respect to the free ligand. The Job’s plot indicated fluorometric sensing of Co2+ ascribed to the complex formation with a stoichiometric ratio of 2:1 (L- Co2+). Furthermore, the high linearity (r2 =0.992) observed in the Benesi Hildebrand plot in a wide concentration range of 0.5−80 μM confirmed the above stoichiometric ratio. The association constant (Ka) for the L-Co2+ was determined to be 8.382 ×1 04 M−1 ± 5.8 ×103M−1.The prepared Co2+ fluorometric probe indicated long-term stability in −18 ℃ up to 45 days. Furthermore, the presence of Fe2+ and Fe3+ in the medium with Co2+ exhibited an interference effect in the fluorescence intensities. Upon further concentration studies, it was evident that the interference of Fe2+ and Fe3+ starts around 10.00 μM and rises exponentially. Keywords: MCR, Green synthesis, Fluorescent Chemo-sensor, Turn OFF-ON, Cobalt (II), indole derivatives

CFD Evaluation of Heat Transfer and NOx Emissions When Converting a Tangentially Fired Coal Boiler to Use Methane

The need to reduce global carbon dioxide (CO2) emissions is driving the conversion of coal-fired power plants to use methane, which can reduce CO2 emissions by >40%. However, conducting gas firing in coal boilers changes the heat transfer profile; therefore, preliminary evaluations using computational fluid dynamics are required prior to conversion. Here, methane was used as a heat input source in the simulation of an existing coal boiler, and combustion, nitrogen oxides (NOx) emission characteristics, and heat transfer profile changes inside the boiler were analyzed. Furthermore, changes in the burner zone stoichiometric ratio (BZSR) were simulated to restore the decreased heat absorption of the furnace waterwall, revealing that air distribution could change the heat absorption of the waterwall and tube bundles. However, this change was smaller than that caused by conversion from coal to methane. Therefore, to implement gas firing in coal boilers, alternatives such as output derating, using an attemperator, or modifying heat transfer surfaces are necessary. Despite these limitations, a 70% reduction in NOx emissions was achieved at a BZSR of 0.76, compared with coal. As the BZSR contributes significantly to NOx emissions, conducting gas firing in existing coal boilers could significantly reduce NOx and CO2 emissions.

Annealing Effect on Nanocrystalline SnO2 Thin Films Prepared by Spray Pyrolysis Technique

In recent years, a transparent conducting oxide (TCO) SnO2 semiconductor have gained considerable attention due to their potential application in gas sensors. More number of studies on TCO oxide have focused on the semiconducting metal oxides in which an intensive argument is that the transparent semiconductors. The SnO2 thin films were deposited at 400 °C and then annealed at 500 °C and 600 °C and its structural, optical and electrical properties were characterized. The doping stoichiometric ratio was maintained as 4% and the resulting solution was sprayed on glass substrate which was kept at nozzle distance of 25 cm and the spray rate was 10 mL/min. The prepared pure SnO2 thin films have been characterized by different methods such as XRD, FESEM, UV-Vis NIR and EDAX analyses. It was found that the nanocrystalline SnO2 grains possesses structural features of the tetragonal rutile structure. Hence the prepared thin films are justified to be nanocrystalline and also the mean crystalline size decreased with respect to annealing temperature.

Variations in Concentrations and Ratio of Soluble Forms of Nutrients in Atmospheric Depositions and Effects for Marine Coastal Areas of Crimea, Black Sea

Atmospheric depositions have been recently recognized as an important source of nutrients for off-shore marine systems, in line with the coastal input and physical exchange. The input of nutrients with atmospheric depositions can change their inventory and ratio in the euphotic zone, thus increase the rate of primary production and the type of predominant phytoplankton. The influence of atmospheric depositions, temporal variations of this influence and consequences of this deposition have been neglected. Monitoring of nutrients in atmospheric depositions of Crimea in 2015–2020 has allowed studying of multi-scale variations in their input to coastal areas and scaling the effects of this input. It has been found that the contribution of dry deposition in the total flux of nutrients is more significant for silicates and phosphates. Intra-annual variations in concentrations of nitrogen reveal a maximum in an urbanized area for the cold period of year, due to burning of extra fuel. On the contrary, increasing concentrations of nitrogen have been detected in a rural area in warm period. High values of concentrations of phosphorus and silica are typical for dry summer period and associated with dust transport from natural and anthropogenic sources. The N:P:Si ratio in the atmospheric depositions has been significantly shifted towards nitrogen as compared to the stoichiometric ratio. The results obtained in this work suggest that additional flux of nutrients with atmospheric depositions is minor at the annual scale, but it may change the local inventory and C:N:P ratio in the surface layer of the sea on a daily-time scale. The input of nutrients with atmospheric depositions can lead to additional (up to twofold) production of organic matter and result in additional oxygen consumption, when this surplus organic matter sinks and is oxidized, thus supporting suboxic conditions in near-shore areas.

Management of Solid Waste Marble Powder: Improving Quality of Sodium Chloride Obtained From Sulphate Rich Lake/Subsoil Brines With Simultaneous Recovery of High Purity Gypsum and Light Basic Magnesium Carbonate

Marble industry worldwide produces large amount of non-degradable marble dust powder (MDP) waste during mining and processing stages. MDP mainly comprises of CaCO3 with small amounts of Mg, Fe or Si in various forms. In India, mainly in Rajasthan state, marble is quarried in huge amounts and MDP thus produced is collected improperly and dumped at any abandoned land or identified disposal sites leading to several environment hazards. On the other hand, the composition of sub soil/lake brines of Rajasthan is typical in nature as it does not have much Ca2+ and Mg2+ impurities but contains higher levels of SO42-. Therefore, the common salt (NaCl) produced from such brines is contaminated with Na2SO4 (8-30 wt%) depending upon SO42- concentration in the brine. Such a salt produced is neither suitable for edible purpose nor for industrial usage. Herein, we have reacted MDP with HCl, and the resulting solution (CaCl2 and MgCl2 slurry) is used in stoichiometric ratio of Ca2+ to SO42- in brines to produce high purity NaCl and gypsum (CaSO4·2H2O) via fractional crystallization. Remaining magnesium containing solution was reacted with Na2CO3 to prepare high purity light basic magnesium carbonate hydrate. Purity of crystallized NaCl, CaSO4·2H2O and MgCO3·6H2O has been ascertained through analytical and spectral methods (TGA, FTIR, P-XRD). Field emission scanning electron microscopy (FE-SEM) was used to elucidate morphology of crystals. The method reported for improving purity of NaCl along with CaSO4·2H2O and MgCO3·6H2O production from sulphate rich brines is simple and economic, and allow management of MDP generated in huge amounts, which poses problems of disposal and creates environment hazards.

Composition Analysis by STEM-EDX of Ternary Semiconductors by Internal References

A practical method to determine the composition within ternary heterostructured semiconductor compounds using energy-dispersive X-ray spectroscopy in scanning transmission electron microscopy is presented. The method requires minimal external input factors such as user-determined or calculated sensitivity factors by incorporating a known compositional relationship, here a fixed stoichiometric ratio in III–V compound semiconductors. The method is demonstrated for three different systems; AlGaAs/GaAs, GaAsSb/GaAs, and InGaN/GaN with three different specimen geometries and compared to conventional quantification approaches. The method incorporates absorption effects influencing the composition analysis without the need to know the thickness of the specimen. Large variations in absorption conditions and assumptions regarding the reference area limit the accuracy of the developed method.