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1دورية أكاديمية
مصطلحات موضوعية: Medicine, Genetics, Neuroscience, Biotechnology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, average absolute deviation, pr eos ), aromatic ring index, interesting crossover behavior, abutaqiya et al, 2 , distinctive characterization factor, miscible gas injection, characterization factor, saft eos, refractive index, gas blends, acentric factor, results indicate, reservoir fluids, previously reported, phase envelope, phase behavior, new correlations, molecular weight, extensive database, energy fuels2021, critical pressure, correlations rely
الوصف: Improved correlations among critical temperature, critical pressure, and acentric factor are developed for an extensive database of hydrocarbons. The correlations rely on measurements of molecular weight and refractive index at ambient conditions and utilize the concept of the aromatic ring index (ARI) recently developed by Abutaqiya et al. as a distinctive characterization factor for nonpolar hydrocarbons [Abutaqiya, M. I. L.Aromatic Ring Index (ARI): A Characterization Factor for Nonpolar Hydrocarbons from Molecular Weight and Refractive Index. Energy Fuels2021, 35(2), 1113−1119.]. The new correlations are then implemented for modeling the phase behavior of a variety of oils under miscible gas injection in a fully predictive manner using the Peng–Robinson equation of state (PR EOS). The results indicate that the proposed modeling framework yield accurate predictions for bubble pressure of oil/gas blends with an average absolute deviation of 6.4% for a wide variety of oils and injection gases including lean, rich, H 2 S, CO 2 , and N 2 . Additionally, an interesting crossover behavior in the phase envelope of live oils under CO 2 injection is observed using PR EOS. This behavior has been previously reported in the literature for modeling results using PC-SAFT EOS and seems to be characteristic of CO 2 .
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2دورية أكاديمية
المؤلفون: Zarubin, Yu.
المصدر: JOURNAL OF HYDROCARBON POWER ENGINEERING; Vol. 9 No. 2 (2022): JOURNAL OF HYDROCARBON POWER ENGINEERING; 27-35 ; ЖУРНАЛ ЕНЕРГЕТИКИ ВУГЛЕВОДНІВ; Том 9 № 2 (2022): JOURNAL OF HYDROCARBON POWER ENGINEERING; 27-35 ; JOURNAL OF HYDROCARBON POWER ENGINEERING; Том 9 № 2 (2022): JOURNAL OF HYDROCARBON POWER ENGINEERING; 27-35 ; 2415-3370 ; 2311-1399
مصطلحات موضوعية: acentric factor, compressibility factor, material balance, Monte Carlo method, коефіцієнт стисливості, матеріальний баланс, метод Монте-Карло, фактор ацентричності
الوصف: There are given estimates of the influence of uncertainties when using empirical correlations for pseudocriticalcharacteristics of natural gas with its density on the results of estimates of gas reserves and bottomhole pressures.Modeling on the examples of the calculation of the blowout pressure in a gas well and the creation of a material balance ofa gas deposit showed that their influence on the overall modeling error can be comparable to the contribution of instrumentalerrors only with high-precision measurements of pressure and temperature. When determining the gas supercompressibilitycoefficient based on the pseudocritical gas characteristics, about 70 % of the errors will be associated with the variation in thecalculation of the pseudocritical temperature. ; Оцінено вплив невизначеностей при використанні емпіричних кореляцій псевдокритичнихвластивостей природного газу з його густиною на результати визначення запасів газу та вибійних тисків.Моделювання на прикладах розрахунку вибійного тиску в газовій свердловині та створенняматеріального балансу газового покладу показали, що їх вплив у загальну похибку може бути зіставним ізвнеском інструментальних похибок лише при високоточних вимірюваннях тисків і температур. Привизначенні коефіцієнта надстисловості газу за його псевдокритичними властивостями близько 70 % похибокзумовлено варіацією псевдокритичної температури.
وصف الملف: application/pdf
العلاقة: https://ogpe.nung.edu.ua/index.php/jhpe/article/view/191/99Test; https://ogpe.nung.edu.ua/index.php/jhpe/article/view/191Test
الإتاحة: https://doi.org/10.31471/2311-1399-2022-2Test(18)-27-35
https://ogpe.nung.edu.ua/index.php/jhpe/article/view/191Test -
3دورية أكاديمية
المؤلفون: Matic Može, Matevž Zupančič, Ivan Sedmak, Klemen Ferjančič, Henrik Gjerkeš, Iztok Golobič
المصدر: Energies; Volume 15; Issue 10; Pages: 3524
مصطلحات موضوعية: pool boiling, critical heat flux, corresponding states principle, CHF prediction, correlation, Pitzer acentric factor
الوصف: A corresponding-states correlation for predicting the critical heat flux (CHF) in pool boiling conditions is proposed, and only requires knowledge of physical property constants of the fluid at any fluid temperature: molar mass, critical temperature, critical pressure, and the Pitzer acentric factor. If a fourth corresponding equation of state (EoS) parameter is added, a more accurate CHF correlation is obtained and matches Kutateladze–Zuber prediction within ±10% in the reduced temperature range of 0.55–0.95. This way, CHF can be easily predicted for any reduced temperature within the range of correlation’s validity by only knowing basic properties of the fluid. Additionally, two corresponding-states correlations for determining the capillary length are proposed and also do not rely on any temperature- and pressure-dependent fluid properties. A simpler correlation only using the Pitzer acentric factor is shown to be imprecise, and a more complex correlation also accounting for the fourth corresponding EoS parameter is recommended. These correlations are fundamental for further developments, which would allow for accurate prediction of CHF values on functionalized surfaces through further studies on the influence of interactions of fluid properties with other parameters, such as wetting and active nucleation site density.
وصف الملف: application/pdf
العلاقة: J1: Heat and Mass Transfer; https://dx.doi.org/10.3390/en15103524Test
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4دورية أكاديمية
المؤلفون: Abdu Alameri
مصطلحات موضوعية: Graph Spectra and Topological Indices, Geometry and Topology, Mathematics, FOS Mathematics, Physical Sciences, Computational Methods in Drug Discovery, Computational Theory and Mathematics, Computer Science, Predicting Antioxidant Activity of Phenolic Compounds, Organic Chemistry, FOS Chemical sciences, Chemistry, Topological Indices, Acentric factor, Topological index, Molecular graph, Materials science, Molar volume, Molecule, Nanotube, Chemical physics, Nanotechnology, FOS Nanotechnology, Graph, Topology electrical circuits, Computational chemistry, Thermodynamics, Carbon nanotube, Physics, Organic chemistry
الوصف: Topological index is a numerical descriptor of a molecule, based on a certain topological feature of the corresponding molecular graph, it is found that there is a strong correlation between the properties of chemical compounds and their molecular structure. In the other side, titania nanotube is a well-known semiconductor and has numerous technological applications such as biomedical devices, dye-sensitized solar cells, and etc. In this paper, the second Hyper-Zagreb index and their coindex of Titania nanotubes have been computed. Furthermore, strong correlation coefficients between second Hyper-Zagreb index and some physicochemical properties such as Density (DENS), Molar volume (MV), Acentric factor (Acenfac) and Entropy (S) have been Appeared. ... : الفهرس الطوبولوجي هو واصف عددي لجزيء، بناءً على سمة طوبولوجية معينة للرسم البياني الجزيئي المقابل، وجد أن هناك علاقة قوية بين خصائص المركبات الكيميائية وبنيتها الجزيئية. على الجانب الآخر، يعد الأنبوب النانوي تيتانيا أشباه موصلات معروفة وله العديد من التطبيقات التكنولوجية مثل الأجهزة الطبية الحيوية والخلايا الشمسية الحساسة للصبغة وما إلى ذلك. في هذه الورقة، تم حساب مؤشر هايبر زغرب الثاني ومؤشر تيتانيا للأنابيب النانوية. علاوة على ذلك، ظهرت معاملات ارتباط قوية بين مؤشر فرط زغرب الثاني وبعض الخصائص الفيزيائية الكيميائية مثل الكثافة (الأوكار) والحجم المولي (MV) والعامل اللامركزي (Acenfac) والإنتروبيا (S). ...
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المؤلفون: Zanlin Qiu, Joerg R. Jinschek, Pelagia-Irene Gouma, Owen O. Abe, Zexu Chen
المصدر: Ceramics International. 47:33476-33482
مصطلحات موضوعية: Materials science, Process Chemistry and Technology, Analytical chemistry, Ferroelectricity, Tungsten trioxide, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, symbols.namesake, chemistry.chemical_compound, chemistry, Phase (matter), Acentric factor, Materials Chemistry, Ceramics and Composites, symbols, Crystallite, Raman spectroscopy, Pyrolysis, Monoclinic crystal system
الوصف: Ferroelectric nanostructured e phase tungsten trioxide (e- W O 3 ) is emerging as an important functional material with unique gas sensing and optoelectronic properties. However, e- W O 3 phase is typically unstable in the bulk at room temperature (RT) and it has only been produced at ambient conditions by rapid solidification processes, such as Flame Spray Pyrolysis (FSP). This work aims to assess the overall stability of the e phase at the nanoscale by studying its transformation from the stable γ phase to upon cooling. In-situ Raman spectroscopy has explored the effect of crystallite size on the solid-solid phase transformation from the symmetric γ (monoclinic) phase into the acentric e (monoclinic) phase. The phase transformation onset temperature ( T o n s e t ) ranges from −43 °C for bulk state to −150 °C for crystallites of 68 nm in size and varies linearly with the inverse of the crystallite size radius ( 1 r ) .
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::e51333b490c5392de48f686c3add499eTest
https://doi.org/10.1016/j.ceramint.2021.08.254Test -
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المؤلفون: Ryoma Teraishi, Kiyoshi Saito, Yohei Kayukawa, Ryo Akasaka
المصدر: International Journal of Refrigeration. 131:33-40
مصطلحات موضوعية: Refrigerant, Hydrofluoroolefin, chemistry.chemical_compound, Equation of state, Materials science, chemistry, Vapor pressure, Mechanical Engineering, Acentric factor, Vapor–liquid equilibrium, Thermodynamics, Building and Construction, Saturation (chemistry)
الوصف: New universal parameters of the extended corresponding states (ECS) model are presented for hydrofluoroolefin (HFO) refrigerants. The ECS model employing the universal parameters successfully represents the saturation properties. For well-studied HFO refrigerants, which were used to determine the universal parameters, typical deviations between estimations with the ECS model and calculated values with accurate equations of state are within 1 % for vapor pressures and within 3 % for saturated liquid densities at reduced temperatures from 0.6 to 0.9. Similar deviations are expected for other HFO refrigerants if reliable experimental values for the critical parameters and acentric factors are available. If these values are less reliable, larger deviations could be observed, up to 3% and 8 % for vapor pressures and saturated liquid densities, respectively. The ECS model presented here is readily implemented and provides reasonable accuracies; therefore, it is suitable for the preliminary evaluation of novel refrigerants.
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::8ce22d05965a3f131108216a4f8bd4abTest
https://doi.org/10.1016/j.ijrefrig.2021.08.013Test -
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المصدر: Journal of the Taiwan Institute of Chemical Engineers. 127:109-118
مصطلحات موضوعية: Pollutant, Materials science, Neuro-fuzzy, General Chemical Engineering, Particle swarm optimization, Thermodynamics, General Chemistry, Solvent, chemistry.chemical_compound, chemistry, Acentric factor, Ionic liquid, Absorption (chemistry), Kinetic diameter
الوصف: Capture of air pollutant gases using novel and green solvents is obtaining widespread attention. Accurate estimation of this process is complex. We have estimated the absorption of CO2, CH4, H2S, N2O, SO2 and CO gases in ionic liquids (ILs). We have applied Multilayer Perceptron-Artificial Neural Networks (MLP-ANN), Hybrid-Adaptive Neuro Fuzzy Inference System (Hybrid-ANFIS), Particle Swarm Optimization-Adaptive Neuro Fuzzy Inference System (PSO-ANFIS) and Coupled Simulated Annealing-Least Squares Support Vector Machine (CSA-LSSVM). We have gathered 3060 data of 72 IL-Gas mixtures for 40 types of ILs. The inputs of these models are: Temperature (T), pressure (P), IL molecular weight (MwIL), IL critical temperature (Tc, IL), IL critical pressure (Pc, IL), IL acentric factor (ωIL), gas molecular weight (Mwgas), gas critical temperature (Tc, gas), gas critical pressure (Pc, gas), gas kinetic diameter (d) and the acentric factor (ωgas). The CSA-LSSVM model produces best estimation with an Average Absolute Relative Deviation (AARD) of 8.7%. The results suggest the solubilities of the gases in ILs are correlated with structural factors of ILs. Estimation of the equilibrium behaviors in ionic liquids is of importance in simulation and design of solvent-based pollutant gas capture processes.
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::1b2918e2323cd78468a1f71f6af9ef3eTest
https://doi.org/10.1016/j.jtice.2021.07.032Test -
8
المؤلفون: Chen-Sheng Lin, Hao Zhang, Wen-Dan Cheng, Fang-Yu Yuan, Guo-liang Chai, Yi-Zhi Huang
المصدر: Inorganic Chemistry. 60:15593-15598
مصطلحات موضوعية: Inorganic Chemistry, Crystallography, chemistry.chemical_compound, Lattice constant, Chemistry, Selenide, Acentric factor, Atom, Second-harmonic generation, Orthorhombic crystal system, Direct and indirect band gaps, Trigonal pyramidal molecular geometry, Physical and Theoretical Chemistry
الوصف: The quaternary selenide Ba4GeSb2Se11 was prepared by a high-temperature solid state reaction method. Ba4GeSb2Se11 crystallizes in an acentric orthorhombic space group Cmc21 with the lattice constants a = 9.370(11) A, b = 25.850(0) A, and c = 8.798(10) A. The compound is composed of a [SbSe3]3- trigonal pyramid, [GeSbSe5]3- dimers, V-shaped Se32-, and the adjacent Ba2+ ions. It has indirect band gap of 1.35 eV and exhibits a second harmonic generation intensity of about 0.2 times that of the benchmark compound AgGaS2 at the same particle size. Interestingly, theoretical analyses show that the central Se atom of Se32- has the largest contribution (8.1%) to d31 compared to that of other Se atoms, which may be due to its easy swing in the a-axis direction.
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::1075c89eaa052c5a5ec26c709ad70fdcTest
https://doi.org/10.1021/acs.inorgchem.1c02197Test -
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المؤلفون: Qi-Ming Qiu, Guo-Yu Yang, Chong-An Chen
المصدر: Chemistry – An Asian Journal. 16:3244-3248
مصطلحات موضوعية: Thermogravimetric analysis, Chemistry, Organic Chemistry, chemistry.chemical_element, Nonlinear optics, General Chemistry, Biochemistry, Nonlinear optical, Acentric factor, Physical chemistry, Thermal stability, Diffuse reflection, Absorption (chemistry), Boron
الوصف: A new acentric borate, K2 Na3 [{B6 O10 (OH)}-{B3 O4 (OH)3 }] ⋅ H2 O (1) has been made under solvothermal condition. 1 has layered structure made by B6 O13 (OH)-based chains and B3 O5 (OH)3 -bridging clusters. Second-harmonic generation (SHG) measurements reveal that 1 is a phase-matchable nonlinear optical (NLO) material, showing the SHG signal intensity of 1.8 times that of KDP (KH2 PO4 ). Besides, UV-Vis diffuse reflectance spectrum shows that 1 has the short deep UV (DUV) absorption cutoff edge of 198 nm. Thermogravimetric analysis reveals it has good thermal stability. Also 1 represents firstly mixed oxoboron clusters-made 2D layered borate with NLO property.
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::18e01666bd8605a4b7d8bd26588c4c9cTest
https://doi.org/10.1002/asia.202100869Test -
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المؤلفون: V. Ranjbar, P. Rezania, K. Nasrifar
المصدر: Journal of Solution Chemistry. 50:1169-1188
مصطلحات موضوعية: Argon, Krypton, Biophysics, chemistry.chemical_element, Thermodynamics, Biochemistry, Methane, chemistry.chemical_compound, symbols.namesake, Xenon, chemistry, Propane, Acentric factor, symbols, Physical and Theoretical Chemistry, van der Waals force, Solubility, Molecular Biology
الوصف: Using Henry’s law constant, we applied a previously developed approach to the Peng–Robinson (PR) and Soave–Redlich–Kwong (SRK) equations of state in deriving formulas for the binary interaction parameters of van der Waals mixing rules. The formulas are solely temperature dependent and require the Henry’s law constant of a gas in water in addition to the critical temperatures, critical pressures and acentric factors of the gas and water. The method was successfully used to predict the solubility of methane, ethane, propane, hydrogen sulfide, carbon dioxide, argon, krypton, xenon and nitrogen in water for wide ranges of temperature and pressure. Among the equations of state, PR was found to have the best performance with average absolute deviation of 5.2%. In addition, PR was employed to predict the solubility of gas mixtures in water, including methane + ethane, methane + n-butane and methane + ethane + n-butane at pressures up to 100 MPa. The accuracy of predictions was found to be comparable to those of the solubilities of pure gases in water.
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::7efdc5c68b2a8cff448091000ded7b26Test
https://doi.org/10.1007/s10953-021-01110-6Test
