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Journal articles on the topic 'Phase rule and equilibrium'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 August 2024

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1

Seybold, Paul G., Matthew J. O'Malley, Lemont B. Kier, and Chao-Kun Cheng. "Cellular Automata Simulations of Vapor–Liquid Equilibria." Australian Journal of Chemistry 59, no. 12 (2006): 865. http://dx.doi.org/10.1071/ch06230.

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Phase transitions and phase equilibria are among the most fundamental phenomena in the physical and environmental sciences. In the present work an asynchronous stochastic cellular automata model for the equilibrium between a liquid and its vapor is presented. The model is visual, dynamic, and employs just two rules—an attraction probability and a gravitational preference. Application of the attraction rule alone yields a ‘mist’ within the vapor, whereas application of the gravitational rule by itself yields an isothermal atmospheric profile. Application of both rules together causes the vapor

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2

Shyu, Guor-Shiarn, Nishawn S. M. Hanif, Kenneth R. Hall, and Philip T. Eubank. "Maximum Partial Area Rule for Phase Equilibrium Calculations." Industrial & Engineering Chemistry Research 35, no. 11 (January 1996): 4348–53. http://dx.doi.org/10.1021/ie960203p.

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3

Chiang, C. S., and William C. Johnson. "Coherent phase equilibria in systems possessing a consolute critical point." Journal of Materials Research 4, no. 3 (June 1989): 678–87. http://dx.doi.org/10.1557/jmr.1989.0678.

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The influence of coherency strains on phase equilibria in a two-phase microstructure is examined for a binary or pseudobinary alloy system possessing a consolute critical point (chemical miscibility gap). The qualitative features of phase equilibria, including the limits of metastability (chemical spinodal), are shown to depend critically on the mechanical loading conditions and the geometric arrangement of the phases in the microstructure. If the elastic state of a phase in a two-phase coherent system is independent of the presence of the other phase, then the equilibrium characteristics usua

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4

Fujita, Hiroshi. "Non-equilibrium phase formation." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 4 (August 1990): 506–7. http://dx.doi.org/10.1017/s0424820100175661.

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The most important advantage of EM’s is in situ experiments on detailed processes of the same phenomena that occur in bulk materials. In recent years, in situ experiments with HVEM’s, in particular with a 3MV ultra-HVEM , has made it possible to create non-equilibrium phases, which do not exist in nature, or to control and design materials on an atomic scale. Namely, HVEM’s have developed to “Micro-Laboratory”, in which various material-treatments can be done, for natural science from powerful tools for characterization and/or identification of materials.l.The General Rule for Solid Amorphizat

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5

Liu, Chengjun, Jiyu Qiu, and Zhengyue Liu. "Phase Equilibria in the System CaO-SiO2-La2O3-Nb2O5 at 1400 °C." Metals 11, no. 12 (November 24, 2021): 1892. http://dx.doi.org/10.3390/met11121892.

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CaO-SiO2-La2O3-Nb2O5 system is of great significance for the pyrometallurgical utilization of Bayan Obo tailing resources. In the present work, the phase equilibrium of this quaternary system at 1400 °C was determined by a thermodynamic equilibrium experiment. On the basis of the recently determined CaO-La2O3-Nb2O5 phase diagram, some boundary surfaces of primary phase fields of CaO-SiO2-La2O3-Nb2O5 phase diagram were modified; then, the 1400 °C isothermal surface in the primary phase fields of SiO2, CaNb2O6, Ca2Nb2O7, and LaNbO4 was constructed, respectively. On this basis, CaO-SiO2-Nb2O5 pse

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6

Karim, Abdul M. A., and Arkan J. Hadi. "Thermodynamic Model for High Pressure Phase Behavior of Carbon Dioxide in Several Physical Solvents at Different Temperatures." Tikrit Journal of Engineering Sciences 15, no. 2 (June 30, 2008): 32–50. http://dx.doi.org/10.25130/tjes.15.2.03.

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In the present study a thermodynamic model for prediction of gas-liquid equilibrium at high pressures and different temperatures prepared for the binary systems of carbon dioxide (1) with each of the one of the liquid physical solvents (2) (sulfolane, n-methyl-2-pyrrolidone and propylene carbonate) using Peng-Robenson equation of state (PR-EOS) with different mixing rules to show the effect of the type of mixing rule used. Comparison of the experimental phase equilibrium data in the literature with the results of the model showed very good representation for some mixing rules and good for the

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7

IONIŢĂ, Mihaela, Sergiu SIMA, Martin CISMONDI, and Catinca SECUIANU. "Phase equilibria for the carbon dioxide + cyclopentane + cyclohexane system at high pressures." Revue Roumaine de Chimie 66, no. 3 (2021): 303–8. http://dx.doi.org/10.33224/rrch.2021.66.3.11.

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Isothermal vapor–liquid equilibrium measurements for the ternary mixture carbon dioxide + cyclopentane + cyclohexane at 353.15 K are reported. Phase equilibrium measurements were made in a high-pressure visual cell with variable volume using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The new measured data were modelled with the RK–PR equation of state (EoS) coupled with classical van der Waals (two-parameter conventional mixing rule, 2PCMR).

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8

Colin, Samuel, and Antony Valentini. "Instability of quantum equilibrium in Bohm's dynamics." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 470, no. 2171 (November 8, 2014): 20140288. http://dx.doi.org/10.1098/rspa.2014.0288.

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We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basi

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9

DU, P. C., and G. A. MANSOORI. "PHASE EQUILIBRIUM OF MULTICOMPONENT MIXTURES: CONTINUOUS MIXTURE GIBBS FREE ENERGY MINIMIZATION AND PHASE RULE." Chemical Engineering Communications 54, no. 1-6 (May 1987): 139–48. http://dx.doi.org/10.1080/00986448708911903.

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10

Toikka, Alexander, and Maria Toikka. "Solubility and critical phenomena in reactive liquid–liquid systems." Pure and Applied Chemistry 81, no. 9 (August 19, 2009): 1591–602. http://dx.doi.org/10.1351/pac-con-08-11-04.

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The goal of this work is to consider solubility phenomena in reactive fluid mixtures with liquid-phase splitting. One of the main tasks is to analyze peculiarities of liquid–liquid (LL) systems with equilibrium and nonequilibrium chemical reaction. The special aim is to consider the critical states in these systems. The reactive liquid–liquid equilibrium (LLE) is treated on the base of phase rule. The topology of diagrams of reactive LLE is discussed for some types of binary and ternary systems. Examples are presented of a possible transformation of phase diagrams caused by the shifting of che

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11

PLATT, G. M., and J. L. de MEDEIROS. "Phase rule calculations and the thermodynamics of reactive systems under chemical equilibrium." Brazilian Journal of Chemical Engineering 16, no. 3 (September 1999): 247–65. http://dx.doi.org/10.1590/s0104-66321999000300004.

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12

Rajendran, Karthikeyan, and R. Ravi. "Critical Analysis of Maxwell’s Equal Area Rule: Implications for Phase Equilibrium Calculations." Industrial & Engineering Chemistry Research 49, no. 16 (August 18, 2010): 7687–92. http://dx.doi.org/10.1021/ie100571m.

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13

Lashgari, Hamid R., Kamy Sepehrnoori, and Mojdeh Delshad. "A Four-Phase Chemical/Gas Model in an Implicit-Pressure/Explicit-Concentration Reservoir Simulator." SPE Journal 21, no. 04 (August 15, 2016): 1086–105. http://dx.doi.org/10.2118/173250-pa.

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Summary This study describes a general four-phase model developed for gas/oil/water/microemulsion (ME) coexisting at local equilibrium. The original framework of a chemical reservoir simulator is used to implement the model. This model represents a new method to couple the black-oil model with surfactant-phase behavior [i.e., the Hand (1939) rule]. The Hand (1939) rule is used to capture the equilibrium among surfactant, oil, and water species as a function of salinity and species concentrations for oil/water/ME phases. The interphase-mass transfer between gas/oil in the presence of the ME pha

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14

Oktavian, Rama, Agung Ari Wibowo, and Zuraidah Fitriah. "Study on Particle Swarm Optimization Variant and Simulated Annealing in Vapor Liquid Equilibrium Calculation." Reaktor 19, no. 2 (August 11, 2019): 77–83. http://dx.doi.org/10.14710/reaktor.19.2.77-83.

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Phase equilibrium calculation plays a major rule in optimization of separation process in chemical processing. Phase equilibrium calculation is still very challenging due to highly nonlinear and non-convex of mathematical models. Recently, stochastic optimization method has been widely used to solve those problems. One of the promising stochastic methods is Particle Swarm Optimization (PSO) due to its simplicity and robustness. This study presents the capability of particle swarm optimization for correlating isothermal vapor liquid equilibrium data of water with methanol and ethanol system by

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15

Podderegin, O. A. "Analysis of the Mathematical Model of Cancer Dynamics." Mathematics and Mathematical Modeling, no. 1 (September 24, 2022): 1–20. http://dx.doi.org/10.24108/mathm.0122.0000299.

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Qualitative analysis of dynamic systems is a powerful research tool used to solve a great deal of application problems. In mathematical models described by ordinary differential equations, the study of equilibrium positions has actually become the standard: their number and location depending on the parameters, as well as issues of local stability. In mathematical models in various fields of chemistry and biology, it is also important that the natural requirements for the possible values of phase variables are not violated in the process of dynamics (as a rule, this is the non-negativity con

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16

Malijevská, Ivona. "Evaluation of Heterodimerization Constant from Solid-Liquid and Vapor-Liquid Equilibrium Data." Collection of Czechoslovak Chemical Communications 65, no. 9 (2000): 1497–505. http://dx.doi.org/10.1135/cccc20001497.

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Activity coefficients obtained from the solid-liquid equilibrium data were used to fit the isobaric vapor-liquid equilibrium data to evaluate the vapor-phase equilibrium constant of heterodimerization of the system propanoic acid-trifluoroethanoic acid. The found hetero-dimerization constant is several times higher than that estimated on the basis of the "double-geometric-mean" rule and its temperature dependence has the form ln KAB = 7 196.7/T - 26.80.

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17

Taguchi, Hiroyuki, and Ganbayar Gunbileg. "Monetary Policy Rule and Taylor Principle in Mongolia: GMM and DSGE Approaches." International Journal of Financial Studies 8, no. 4 (November 16, 2020): 71. http://dx.doi.org/10.3390/ijfs8040071.

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This article aims to examine the monetary policy rule under an inflation targeting in Mongolia with a focus on its conformity to the Taylor principle, through two kinds of approaches: a monetary policy reaction function by the generalized-method-of-moments (GMM) estimation and a New Keynesian dynamic stochastic general equilibrium (DSGE) model with a small open economy version by the Bayesian estimation. The main findings are summarized as follows. First, the GMM estimation identified an inflation-responsive rule fulfilling the Taylor principle in the recent phase of the Mongolian inflation ta

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18

Lim, K. R., J. H. Na, J. M. Park, W. T. Kim, and D. H. Kim. "Enhancement of plasticity in Ti-based metallic glass matrix composites by controlling characteristic and volume fraction of primary phase." Journal of Materials Research 25, no. 11 (November 2010): 2183–91. http://dx.doi.org/10.1557/jmr.2010.0277.

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In this study, Ti-based metallic glass matrix composites with high plasticity have been developed by controlling characteristic and volume fraction of primary phase embedded in the glass matrix. By careful alloy design procedure, the compositions of β/glass phases, which are in metastable equilibrium have been properly selected, therefore the mechanical properties can be tailored by selecting the alloy compositions between the composition of β and glass phases. The relation between the compressive yield strength and volume fraction of β phase is well described using the rule of mixtures.

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19

Zou, Qing Hua, and Sheng Zhong Zou. "Key Program for Non-Equilibrium Phase Diagram of Ni 1 Type Steel." Advanced Materials Research 204-210 (February 2011): 1357–61. http://dx.doi.org/10.4028/www.scientific.net/amr.204-210.1357.

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The practical air-cooling new-type dynamic phase diagram and nonequilirium lever rule of Ni 1 structural steel was established, and the relevant structure and chemical composition were analyzed, which can be used in practical production. The computer programs for drawing binary non-equilibrium phase diagram of Ni type structural steel have designed.

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20

Arkan Jasim Hadi and Arkan Jasim Hadi. "GAS-LIQUID EQUILIBRIUM PREDICTION OF CO2-ETHANOL SYSTEM AT MODERATE PRESSURES AND DIFFERENT TEMPERATURES." Diyala Journal of Engineering Sciences 3, no. 1 (June 1, 2010): 90–105. http://dx.doi.org/10.24237/djes.2010.03107.

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In this work, a thermodynamic model for the prediction of gas-liquid equilibrium at moderate pressures (up to 19 bar) and different temperatures (288-323 K) for the binary system of carbon dioxide (1)-ethanol (2) is established using Soave-Redlich-Kwong equation of state (SRK-EOS), Peng-Robenson equation of state (PR-EOS), and HYSYS program with same equations of state. Three different mixing rules were used to show the effect of the type of mixing rule. A comparison of experimental phase equilibrium data in the literature with the predicted results showed very good representation for so

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21

Valderrama, Jos� O., and Victor H. Alvarez. "Phase equilibrium in supercritical CO2 mixtures using a modified Kwak-Mansoori mixing rule." AIChE Journal 50, no. 2 (2004): 480–88. http://dx.doi.org/10.1002/aic.10042.

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22

Salgansky, E. A., D. N. Podlesniy, M. V. Tsvetkov, and A. Yu Zaichenko. "Thermodynamically Equilibrium Compositions of the Products Formed During the Filtration Combustion of the Metal-Containing Mixtures." Eurasian Chemico-Technological Journal 22, no. 4 (December 30, 2020): 263. http://dx.doi.org/10.18321/ectj998.

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Thermodynamic calculations for describing the compositions of the products formed in conditions of the filtration combustion of the metal-containing mixtures were carried out. The analysis of the equilibrium compositions of the products was carried out using the TERRA high-temperature thermochemical equilibrium calculation program. According to the results of calculations, the metals were divided into two groups. First one forms both the condensed and gaseous phases and in the second one ‒ metals that are only in the condensed phase. In case of the presence of metal compounds in the gas phase,

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23

DOROTHEYEV, E. A., V. S. DOTSENKO, and B. TIROZZI. "STATISTICAL MEMORY MODEL FOR POLYMER CHAIN SHAPES." International Journal of Modern Physics B 07, no. 13 (June 15, 1993): 2509–27. http://dx.doi.org/10.1142/s0217979293002924.

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We study the equilibrium configurations of heteropolymer chains in the infinite-dimensional space. The number of sorts of monomers composing the chains is finite. The interactions between pairs of monomers are defined (using Hebbian learning rule) in such a way that in the thermodynamic limit the equilibrium configurations of the polymers are some preassigned shapes. The phase diagram of the model is obtained and the memory capacity is computed.

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24

Ilčin, Michal, Martin Michalík, Klára Kováčiková, Lenka Káziková, and Vladimír Lukeš. "Water liquid-vapor equilibrium by molecular dynamics: Alternative equilibrium pressure estimation." Acta Chimica Slovaca 9, no. 1 (April 1, 2016): 36–43. http://dx.doi.org/10.1515/acs-2016-0007.

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Abstract The molecular dynamics simulations of the liquid-vapor equilibrium of water including both water phases — liquid and vapor — in one simulation are presented. Such approach is preferred if equilibrium curve data are to be collected instead of the two distinct simulations for each phase separately. Then the liquid phase is not restricted, e.g. by insufficient volume resulting in too high pressures, and can spread into its natural volume ruled by chosen force field and by the contact with vapor phase as vaporized molecules are colliding with phase interface. Averaged strongly fluctuating

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25

Hu, Shi Ping, Juan Han, Yong Sheng Yan, and Yu Tao Hu. "Liquid-Liquid Equilibria for Acetone + Several Citrates Aqueous Two-Phase Systems at Different Temperatures." Advanced Materials Research 549 (July 2012): 30–35. http://dx.doi.org/10.4028/www.scientific.net/amr.549.30.

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Liquid-liquid equilibria for the three kinds of the ternary systems acetone + ammonium, sodium or potassium citrate + water have been determined at T= (273.15, 283.15, and 298.15) K. Binodal curves, tie-lines, and integrated phase diagrams for the ternary systems are given. The data of the experimental bimodal curve are described with a four-parameter equation. The result also shows the temperature has little influence on the liquid-liquid equilibrium within the investigated range. The tie-line data calculated according to the bimodal data fitting equation and the lever arm rule were satisfact

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26

Udovsky, A. L. "The Analytical and Computational Thermodynamics of Closed Binary Systems." Solid State Phenomena 138 (March 2008): 241–82. http://dx.doi.org/10.4028/www.scientific.net/ssp.138.241.

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The Review. The presented results got by author in the field of analytical and computing thermodynamics of the binary systems for the last 25 years. This review includes following sections. In the first section, transition from description of the equilibrium of the phases in two-phase open binary system to description of the equilibrium of the phases in two-phase closed binary system is shown. It allows to go from problem of global minimization in five-dimension space with provision for restrictions to problem of searching for of the global minimum in 3-dimension space with provision for restr

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27

Ahmadloo, Ebrahim, Najmeh Sobhanifar, and Fatemeh Sadat Hosseini. "Modeling of vapor-liquid equilibrium for binary polypropylene glycol/solvent solutions using cubic equation of state models: optimization and comparison of CEoS models." Journal of Polymer Engineering 34, no. 1 (February 1, 2014): 95–104. http://dx.doi.org/10.1515/polyeng-2013-0192.

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Abstract The cubic equation of state (CEoS) is a powerful method for calculation of the vapor-liquid equilibrium (VLE) in polymer solutions. Using CEoS for both the vapor and liquid phases allows one to calculate the non-ideality of polymer solutions based on a single EoS approach. In this research, VLE calculations of polypropylene glycol (polypropylene oxide) [PPG(PPO)]/solvent solutions were carried out. In this approach, eight models containing Peng-Robinson-Stryjek-Vera (PRSV) and Soave-Redlich-Kwong (SRK) CEoS separately combined with four mixing rules, namely van der Waals one-fluid mix

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28

Cvijić, Marko, and Janvit Golob. "Preparation of a solid product with high water content and water retention properties." Polish Journal of Chemical Technology 22, no. 3 (September 1, 2020): 17–23. http://dx.doi.org/10.2478/pjct-2020-0023.

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AbstractThis work presents the development of a solid product with a high water content (99.08%) and water retention properties. Water was chosen as a potential carrier of a volatile active substance and water retaining properties of material were studied at a temperatures and relative air humidity values with the support of the theory of drying. The study first confirmed the role of Gibbs’ phase rule in the research of solid-gas phase equilibrium, and second presented drying kinetics developed from Fick’s second law and expressed with the first term of the Fourier equation. Solutions of equat

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29

Beltran, Juan G., Hallvard Bruusgaard, and Phillip Servio. "Gas hydrate phase equilibria measurement techniques and phase rule considerations." Journal of Chemical Thermodynamics 44, no. 1 (January 2012): 1–4. http://dx.doi.org/10.1016/j.jct.2011.08.026.

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30

Oh, Seokjin, Jiyong An, Seungmyeong Cho, Rina Yoon, and Kyeong-Sik Min. "Memristor Crossbar Circuits Implementing Equilibrium Propagation for On-Device Learning." Micromachines 14, no. 7 (July 3, 2023): 1367. http://dx.doi.org/10.3390/mi14071367.

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Equilibrium propagation (EP) has been proposed recently as a new neural network training algorithm based on a local learning concept, where only local information is used to calculate the weight update of the neural network. Despite the advantages of local learning, numerical iteration for solving the EP dynamic equations makes the EP algorithm less practical for realizing edge intelligence hardware. Some analog circuits have been suggested to solve the EP dynamic equations physically, not numerically, using the original EP algorithm. However, there are still a few problems in terms of circuit

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31

Surový, Július, Jana Ovečková, and Elena Graczová. "The Effect of Vapour Space Volume on Vapour-Liquid Equilibrium Measured by Stripping with an Inert Gas Stream." Collection of Czechoslovak Chemical Communications 58, no. 9 (1993): 2069–78. http://dx.doi.org/10.1135/cccc19932069.

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The effect of vapour space size when measuring the vapour-liquide equilibrium by a modified saturation method based on the change in the liquid phase concentration with time is studied in this work. The relation was derived for calculating the correction for the vapour space volume. On using some model solutions of different degree of non-ideality and of different concentrations, the magnitude of this correlation and its influence on the calculated vapour-liquid equilibrium data is studied. In case of systems of completely miscible liquids, it is not necessary, as a rule, to expect a more sign

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32

Sima, Sergiu, Catinca Secuianu, Viorel Feroiu, and Dan Geană. "New high-pressures vapor-liquid equilibrium data for the carbon dioxide + 2-methyl-2-propanol binary system." Open Chemistry 12, no. 9 (September 1, 2014): 893–900. http://dx.doi.org/10.2478/s11532-013-0392-3.

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AbstractNew vapor-liquid equilibria (VLE) data at 323.15, 333.15, 343.15, and 353.15 K and pressures up to 112.9 bar are reported for the carbon dioxide + 2-methyl-2-propanol system. The experimental method used in this work was a static analytical method with liquid and vapor phases sampling using a rapid online sampler injector (ROLSI™) coupled to a gas chromatograph (GC) for analysis. Measured VLE data and literature data for carbon dioxide + 2-methyl-2-propanol system were modeled with the Soave-Redlich-Kwong (SRK) cubic equation of state with classical van der Waals (two-parameter convent

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33

Rai, Nirmal K., and Tariq D. Aslam. "Evaluation of thermodynamic closure models for partially reacted two-phase mixture of condensed phase explosives." Journal of Applied Physics 131, no. 18 (May 14, 2022): 185902. http://dx.doi.org/10.1063/5.0085208.

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One of the key fundamental issues that is crucial in the continuum modeling of reactive flow phenomena is the thermodynamically consistent description of reaction mixture properties. To define the mixture properties, thermodynamic closure rules that relate the properties of the individual reaction components to the mixture properties are required. In the context of reactive two-phase modeling approaches, various strategies to define the thermodynamic closures have been adopted such as pressure temperature (PT) equilibrium between the individual reaction components, pressure (specific) volume (

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34

Sima, Sergiu, Catinca Secuianu, Viorel Feroiu, and Dan Geană. "New high-pressures vapor-liquid equilibrium data for the carbon dioxide + 2-methyl-1-propanol (isobutanol) binary system." Open Chemistry 12, no. 9 (September 1, 2014): 953–61. http://dx.doi.org/10.2478/s11532-013-0394-1.

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AbstractNew vapor-liquid equilibria (VLE) data at 333.15, 343.15, and 353.15 K and pressures up to 130.0 bar are reported for the carbon dioxide + 2-methyl-1-propanol (isobutanol) system. The experimental method used in this work was a static analytical method with liquid and vapor phases sampling using a rapid online sampler injector (ROLSITM) coupled to a gas chromatograph (GC) for analysis. Measured VLE data and literature data for carbon dioxide + 2-methyl-1-propanol system were modeled with the Soave-Redlich-Kwong (SRK) cubic equation of state with classical van der Waals (two-parameter c

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35

Towler, M. D., N. J. Russell, and Antony Valentini. "Time scales for dynamical relaxation to the Born rule." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 468, no. 2140 (November 30, 2011): 990–1013. http://dx.doi.org/10.1098/rspa.2011.0598.

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We illustrate through explicit numerical calculations how the Born rule probability densities of non-relativistic quantum mechanics emerge naturally from the particle dynamics of de Broglie–Bohm pilot-wave theory. The time evolution of a particle distribution initially not equal to the absolute square of the wave function is calculated for a particle in a two-dimensional infinite potential square well. Under the de Broglie–Bohm ontology, the box contains an objectively existing ‘pilot wave’ which guides the electron trajectory, and this is represented mathematically by a Schrödinger wave funct

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36

Frolova, S., and O. Sobol. "Dynamics of cluster structure change in melts that forms a continuous series of solid solutions during equilibrium and nonequilibrium crystallization." BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series 143, no. 2 (2023): 45–51. http://dx.doi.org/10.32523/2616-6771-2023-143-2-45-51.

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The article describes the dynamics of changes in the melt structure during cooling of solid substitution solutions in the process of quasi-equilibrium (CRC) and non-equilibrium explosive crystallization (NRCC), taking into account clustering processes. The boundaries of the transition to the solid state are determined as the structure of clusters changes during crystallizations of the KRK and NRK types. The boundaries are determined taking into account the critical overheating and pre-crystallization supercooling relative to the liquidus line . It is determined that during quasi–equilibrium cr

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37

Debien, Isabel C. N., Aline A. Rigo, Marcos L. Corazza, Marcio A. Mazutti, and J. Vladimir Oliveira. "Thermodynamic Modeling of High-pressure Equilibrium Data for the Systems L-lactic Acid + (Propane + Ethanol) and L-lactic Acid + (Carbon Dioxide + Ethanol)." Open Chemical Engineering Journal 9, no. 1 (February 26, 2015): 1–6. http://dx.doi.org/10.2174/1874123101509010001.

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This short communication reports the thermodynamic modeling of high-pressure equilibrium data (cloud points) for the systems L-lactic acid + (propane + ethanol) and L-lactic acid + (carbon dioxide + ethanol) from 323.15 K to 353.15 K and at pressures up to 25 MPa.The experimental data were modeled using the Peng-Robinson equation of state with the classical van der Waals quadratic mixing rule (PR-vdW2) and with the Wong-Sandler mixing rule (PR-WS). It is shown that the PR-vdW2 and PR-WS models were both able to satisfactorily represent the phase behavior of the system L-lactic acid + (carbon d

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38

Sun, Li, Jierong Liang, and Tingting Zhu. "A Numerical Study of Vapor–Liquid Equilibrium in Binary Refrigerant Mixtures Based on 2,3,3,3-Tetrafluoroprop-1-ene." Sustainability 15, no. 19 (October 4, 2023): 14482. http://dx.doi.org/10.3390/su151914482.

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The binary refrigerant mixtures containing 2,3,3,3-Tetrafluoroprop-1-ene are considered as excellent substitutes for traditional refrigerants. Weak hydrogen bonds exist in hydrofluorocarbons and hydrofluoroolefins. However, for several recently published binary refrigerant mixtures, there is no Vapor–Liquid Equilibrium calculation study considering hydrogen-bonding associations. This work presents a calculation work of the saturated properties of nine pure refrigerants using the Cubic-Plus-Association Equation of State, considering the hydrogen-bonding association in refrigerant fluids. The av

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Adachi, Yoshinori, and Hidezumi Sugie. "Effects of mixing rules on phase equilibrium calculations." Fluid Phase Equilibria 24, no. 3 (1985): 353–62. http://dx.doi.org/10.1016/0378-3812(85)85013-5.

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Thakre, Niraj, and Amiya K. Jana. "Modeling phase equilibrium with a modified Wong-Sandler mixing rule for natural gas hydrates: Experimental validation." Applied Energy 205 (November 2017): 749–60. http://dx.doi.org/10.1016/j.apenergy.2017.08.083.

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Zeng, Dan, Yang Li, and Tao Fang. "Production of Biodiesel in Supercritical Methanol and Related Correlation on Phase Equilibrium." Advanced Materials Research 560-561 (August 2012): 555–62. http://dx.doi.org/10.4028/www.scientific.net/amr.560-561.555.

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Biodiesel was prepared by methyl esterification and effects of different reaction conditions on the yield of fatty acid methyl esters (FAMEs) were investigated. The result of the orthogonal experiment analysis shows that the order of influential factors is ranked as reaction temperature > methanol-to-soybean-oil (M/O) ratio > reaction time. The maximum yield of 94.8 % has been achieved by reacting supercritical methanol and soybean oil in M/O ratio 4:2 (v/v) at 573 K for 45 min. Moreover, the higher M/O ratio, the higher yield of FAMEs will be obtained. At the temperature ranging from 53

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Williamson, J. Charles. "Liquid–Liquid Demonstrations: Phase Equilibria and the Lever Rule." Journal of Chemical Education 98, no. 7 (May 26, 2021): 2356–63. http://dx.doi.org/10.1021/acs.jchemed.0c01517.

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Kastanidis, Panagiotis, George E. Romanos, Athanasios K. Stubos, Georgia Pappa, Epaminondas Voutsas, and Ioannis N. Tsimpanogiannis. "Evaluation of a Simplified Model for Three-Phase Equilibrium Calculations of Mixed Gas Hydrates." Energies 17, no. 2 (January 16, 2024): 440. http://dx.doi.org/10.3390/en17020440.

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In this study, we perform an extensive evaluation of a simple model for hydrate equilibrium calculations of binary, ternary, and limited quaternary gas hydrate systems that are of practical interest for separation of gas mixtures. We adopt the model developed by Lipenkov and Istomin and analyze its performance at temperature conditions higher than the lower quadruple point. The model of interest calculates the dissociation pressure of mixed gas hydrate systems using a simple combination rule that involves the hydrate dissociation pressures of the pure gases and the gas mixture composition, whi

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Kornyushin, Yuri. "Studying thermodynamics of metastable states." Facta universitatis - series: Physics, Chemistry and Technology 3, no. 2 (2005): 115–28. http://dx.doi.org/10.2298/fupct0502115k.

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Simple classical thermodynamic approach to the general description of metastable states is presented. It makes it possible to calculate the explicit dependence of the Gibbs free energy on temperature, to calculate the heat capacity, the thermodynamic barrier, dividing metastable and more stable states, and the thermal expansion coefficient. Thermodynamic stability under mechanical loading is considered. The influence of the heating (cooling) rate on the measured dynamic heat capacity is investigated. A phase shift of the temperature oscillations of an ac heated sample is shown to be determined

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Hansson, Per. "Volume Transition and Phase Coexistence in Polyelectrolyte Gels Interacting with Amphiphiles and Proteins." Gels 6, no. 3 (August 13, 2020): 24. http://dx.doi.org/10.3390/gels6030024.

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Polyelectrolyte gels have the capacity to absorb large amounts of multivalent species of opposite charge from aqueous solutions of low ionic strength, and release them at elevated ionic strengths. The reversibility offers the possibility to switch between “storage” and “release” modes, useful in applications such as drug delivery. The review focuses on systems where so-called volume phase transitions (VPT) of the gel network take place upon the absorption and release of proteins and self-assembling amphiphiles. We discuss the background in terms of thermodynamic driving forces behind complex f

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Ghent, Edward. "Metamorphic facies: A review and some suggestions for changes." Canadian Mineralogist 58, no. 4 (July 1, 2020): 437–44. http://dx.doi.org/10.3749/canmin.1900078.

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ABSTRACT The concept of metamorphic facies has been used as a tool in the interpretation of metamorphic rocks for almost 100 years. The preferred definition is a set of mineral assemblages which are repeatedly associated in space and time. Equilibrium or physical conditions (pressure-temperature) should not be part of the definition. The emphasis has always been on identification of the minerals with the petrographic microscope. Chemical analyses of the minerals using the electron microprobe is not necessary. The original definition of metamorphic facies used the metamorphic mineralogy of meta

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Qin, Mingde, Heidy Vega, Dawei Zhang, Sarath Adapa, Andrew J. Wright, Renkun Chen, and Jian Luo. "21-Component compositionally complex ceramics: Discovery of ultrahigh-entropy weberite and fergusonite phases and a pyrochlore-weberite transition." Journal of Advanced Ceramics 11, no. 4 (March 8, 2022): 641–55. http://dx.doi.org/10.1007/s40145-022-0575-5.

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AbstractTwo new high-entropy ceramics (HECs) in the weberite and fergusonite structures, along with the unexpected formation of ordered pyrochlore phases with ultrahigh-entropy compositions and an abrupt pyrochlore-weberite transition, are discovered in a 21-component oxide system. While the Gibbs phase rule allows 21 equilibrium phases, 9 out of the 13 compositions examined possess single HEC phases (with ultrahigh ideal configurational entropies: ∼2.7kB per cation or higher on one sublattice in most cases). Notably, (15RE1/15)(Nb1/2Ta1/2)O4 possess a single monoclinic fergusonite (C2/c) phas

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Maity, J., B. S. Poona, M. Kumar, A. Pal, B. Hazra, S. Sahin, and A. Biswas. "Quantitative hardness‐carbon content‐microstructure correlation in normalized plain carbon steel." Materialwissenschaft und Werkstofftechnik 54, no. 11 (November 2023): 1444–53. http://dx.doi.org/10.1002/mawe.202300146.

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AbstractComposition (carbon content) dependent critical structural evolution in correlation to hardness attained is judiciously investigated for plain carbon steel, the most widely used cost‐effective structural material, under normalizing treatment of industrial relevance involving non‐equilibrium still air cooling. The solid state phase transformation under non‐equilibrium still air cooling is conceived in terms of a logarithmic variation of eutectoid carbon content with the gross carbon content of steel in view of maintaining fixed maximum solubility of carbon in α‐iron with an assumption o

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Poirier, Jacques. "Analysis and Interpretation of Microstructures after Liquid Oxide Corrosion." Advances in Science and Technology 70 (October 2010): 114–29. http://dx.doi.org/10.4028/www.scientific.net/ast.70.114.

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Corrosion by liquid oxides is one of the most severe modes of degradations which limit the lifetime of the refractory linings. The study of the microstructures of corroded refractories provides essential information. However, the interpretation of the microscopic observations is difficult : - The refractories are multi-component and heterogeneous ceramics, - The microscopic observations are carried out at room temperature. They are not representative of the mineral and vitreous phases existing at high temperature, - During cooling, new solid phases appear by crystallization of liquid oxides. T

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Sima, Sergiu, Adrian Victor Crişciu, and Catinca Secuianu. "Phase Behavior of Carbon Dioxide + Isobutanol and Carbon Dioxide + tert-Butanol Binary Systems." Energies 15, no. 7 (April 3, 2022): 2625. http://dx.doi.org/10.3390/en15072625.

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In recent years, the dramatic increase of greenhouse gases concentration in atmosphere, especially of carbon dioxide, determined many researchers to investigate new mitigation options. Thermodynamic studies play an important role in the development of new technologies for reducing the carbon levels. In this context, our group investigated the phase behavior (vapor–liquid equilibrium (VLE), vapor–liquid–liquid equilibrium (VLLE), liquid–liquid equilibrium (LLE), upper critical endpoints (UCEPs), critical curves) of binary and ternary systems containing organic substances with different function

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