scholarly journals Phase Diagrams of n-Type Low Bandgap Naphthalenediimide-Bithiophene Copolymer Solutions and Blends

Polymers ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1474 ◽  
Author(s):  
Fanta ◽  
Jarka ◽  
Szeluga ◽  
Tański ◽  
Kim
Keyword(s):  
Liquid Phase ◽  
Phase Equilibria ◽  
Phase Behavior ◽  
Phase Diagrams ◽  
Interaction Parameter ◽  
Transition Curve ◽  
Polymer Mixture ◽  
Melting Transition ◽  
Low Bandgap ◽  
Interaction Parameter Χ

Phase diagrams of n-type low bandgap poly{(N,N’-bis(2-octyldodecyl)naphthalene -1,4,5,8-bis(dicarboximide)-2,6-diyl)-alt-5,5′,-(2,2′-bithiophene)} (P(NDI2OD-T2)) solutions and blends were constructed. To this end, we employed the Flory–Huggins (FH) lattice theory for qualitatively understanding the phase behavior of P(NDI2OD-T2) solutions as a function of solvent, chlorobenzene, chloroform, and p-xylene. Herein, the polymer–solvent interaction parameter (χ) was obtained from a water contact angle measurement, leading to the solubility parameter. The phase behavior of these P(NDI2OD-T2) solutions showed both liquid–liquid (L–L) and liquid–solid (L–S) phase transitions. However, depending on the solvent, the relative position of the liquid–liquid phase equilibria (LLE) and solid–liquid phase equilibria (SLE) (i.e., two-phase co-existence curves) could be changed drastically, i.e., LLE > SLE, LLE ≈ SLE, and SLE > LLE. Finally, we studied the phase behavior of the polymer–polymer mixture composed of P(NDI2OD-T2) and regioregular poly(3-hexylthiophene-2,5-dyil) (r-reg P3HT), in which the melting transition curve was compared with the theory of melting point depression combined with the FH model. The FH theory describes excellently the melting temperature of the r-reg P3HT/P(NDI2OD-T2) mixture when the entropic contribution to the polymer–polymer interaction parameter (χ = 116.8 K/T −0.185, dimensionless) was properly accounted for, indicating an increase of entropy by forming a new contact between two different polymer segments. Understanding the phase behavior of the polymer solutions and blends affecting morphologies plays an integral role towards developing polymer optoelectronic devices.

Phase Behavior of CO2 and Crude Oil in Low-Temperature Reservoirs

1981 ◽  
Vol 21 (04) ◽  
pp. 480-492 ◽  
Author(s):  
F.M. Orr ◽  
A.D. Yu ◽  
C.L. Lien
Keyword(s):  
Critical Temperature ◽  
Liquid Phase ◽  
Low Temperature ◽  
Crude Oil ◽  
Phase Behavior ◽  
Phase Diagrams ◽  
Ternary Mixtures ◽  
Co2 Flooding ◽  
Displacement Efficiency ◽  
Oil Mixtures

Abstract Phase behavior of CO2/Crude-oil mixtures which exhibit liquid/liquid (L/L) and liquid/ liquid/vapor (L/L/V) equilibria is examined. Results of single-contact phase behavior experiments for CO2/separator-oil mixtures are reported. Experimental results are interpreted using pseudoternary phase diagrams based on a review of phase behavior data for binary and ternary mixtures of CO2 with alkanes. Implications for the displacement process of L/L/V phase behavior are examined using a one-dimensional finite difference simulator. Results of the analysis suggest that L/L and L/L/V equilibria will occur for CO2/crude-oil mixtures at temperatures below about 120 degrees F (49 degrees C) and that development of miscibility occurs by extraction of hydrocarbons from the oil into a CO2-rich liquid phase in such systems. Introduction The efficiency of a displacement of oil by CO2 depends on a variety of factors, including phase behavior of CO2/crude-oil mixtures generated during the displacement, densities and viscosities of the phases present, relative permeabilities to individual phases, and a host of additional complications such as dispersion, viscous fingering, reservoir heterogeneities, and layering. It generally is acknowledged that phase behavior and attendant compositional effects on fluid properties strongly influence local displacement efficiency, though it also is clear that on a reservoir scale, poor vertical and areal sweep efficiency (caused by the low viscosity of the displacing CO2) may negate the favorable effects of phase behavior.Interpretation of the effects of phase behavior on displacement efficiency is made difficult by the complexity of the behavior of CO2/crude-oil mixtures. The standard interpretation of CO2 flooding phase behaviour, given first by Rathmell et al. is that CO2 flooding behaves much like a vaporizing gas drive, as described originally by Hutchinson and Braun. During a flood, vaporphase CO2 mixes with oil in place and extracts light and intermediate hydrocarbons. After multiple contacts, the CO2-rich phase vaporizes enough hydrocarbons to develop a composition that can displace oil efficiently, if not miscibly. The picture presented by Rathmell et al. appears to be consistent with phase behavior observed for CO2/ crudeoil mixtures as long as the reservoir temperature is high enough. Table 1 summarizes data reported for CO2/crude-oil mixtures. Of the 10 systems studied, all those at temperatures above 120 degrees F (50 degrees C) show only L/V equilibria while those below 120 degrees F exhibit L/L/V separations (Stalkup also reports two phase diagrams that are qualitatively similar to the other low-temperature diagrams but does not give temperatures). Thus, at temperatures not too far above the critical temperature of CO2 [88 degrees F (31 degrees C)], mixtures of CO2 and crude oil exhibit multiple liquid phases, and at some pressures L/L/V equilibria are observed. It has not been established whether Rathmell et al.'s interpretation of the process mechanism can be extended to cover the more complex phase behavior of low-temperature CO2/crude-oil mixtures. In a recent paper, Metcalfe and Yarborough argued critical temperature CO2 floods behave more like condensing gas drives, whereas Kamath et al. concluded that an increase in the solubility of liquid-phase CO2 in crude oil at temperatures near the critical temperature of CO2 should cause more efficient displacements of oil by CO2. SPEJ P. 480^

scholarly journals Phase Equilibria for Carbon Capture and Storage

2020 ◽  
Author(s):  
Catinca Secuianu ◽  
Sergiu Sima
Keyword(s):  
Carbon Dioxide ◽  
Phase Equilibria ◽  
Phase Behavior ◽  
Phase Diagrams ◽  
Carbon Capture ◽  
Binary Systems ◽  
High Pressures ◽  
Carbon Capture And Storage ◽  
Organic Substances ◽  
And Storage

Carbon dioxide (CO2) is an important material in many industries but is also representing more than 80% of greenhouse gases (GHGs). Anthropogenic carbon dioxide accumulates in the atmosphere through burning fossil fuels (coal, oil, and natural gas) in power plants and energy production facilities, and solid waste, trees, and other biological materials. It is also the result of certain chemical reactions in different industry (e.g., cement and steel industries). Carbon capture and storage (CCS), among other options, is an essential technology for the cost-effective mitigation of anthropogenic CO2 emissions and could contribute approximately 20% to CO2 emission reductions by 2050, as recommended by International Energy Agency (IEA). Although CCS has enormous potential in numerous industries and petroleum refineries due their large CO2 emissions, a significant impediment to its utilization on a large scale remains both operating and capital costs. It is possible to reduce the costs of CCS for the cases where industrial processes generate pure or rich CO2 gas streams, but they are still an obstacle to its implementation. Therefore, significant interest was dedicated to the development of improved sorbents with increased CO2 capacity and/or reduced heat of regeneration. However, recent results show that phase equilibria, transport properties (e.g., viscosity, diffusion coefficients, etc.) and other thermophysical properties (e.g., heat capacity, density, etc.) could have a significant effect on the price of the carbon. In this context, we focused our research on the phase behavior of physical solvents for carbon dioxide capture. We studied the phase behavior of carbon dioxide and different classes of organic substances, to illustrate the functional group effect on the solvent ability to dissolve CO2. In this chapter, we explain the role of phase equilibria in carbon capture and storage. We describe an experimental setup to measure phase equilibria at high-pressures and working procedures for both phase equilibria and critical points. As experiments are usually expensive and very time consuming, we present briefly basic modeling of phase behavior using cubic equations of state. Phase diagrams for binary systems at high-pressures and their construction are explained. Several examples of phase behavior of carbon dioxide + different classes of organic substances binary systems at high-pressures with potential role in CCS are shown. Predictions of the global phase diagrams with different models are compared with experimental literature data.

Multiple Liquid Phases in a Natural-Gas System

10.2118/33-pa ◽  
1961 ◽  
Vol 1 (03) ◽  
pp. 137-141 ◽  
Author(s):  
Lowell Stroud ◽  
Will E. De Vaney ◽  
John E. Miller
Keyword(s):  
Phase Equilibrium ◽  
Liquid Phase ◽  
Natural Gas ◽  
Phase Equilibria ◽  
Phase Behavior ◽  
Stable Equilibrium ◽  
Analytical Data ◽  
Crude Oils ◽  
Liquid Phases ◽  
Vapor Liquid

Abstract During a recent phase study of a natural gas, two stable equilibrium liquid phases were observed at temperatures below –200F and pressures above 200 psi. This paper reviews the published literature on the occurrence of multiple equilibrium liquid phases and presents analytical data for the vapor and two equilibrium liquid phases of the liquefied natural gas at five experimental conditions. In addition, data for 30 conditions of two-phase equilibria are included. Introduction The low-temperature phase behavior of gases, most of which contained helium, has been investigated in the laboratories of the Helium Activity for many years. Since 1952, experimental studies of these systems have been continuous as part of the research program at Amarillo, Tex. Because of their value to private industries interested in participating in the Helium Conservation Program, several "Open File" reports containing phase equilibria data for helium-bearing natural gases have already been released by the helium Activity. A paper containing information on the general phase behavior, operating criteria and extensive vapor-liquid data for two helium-containing systems was recently published. Additional publications presenting experimental data on the phase relationships of various gas systems are now in process and will be available in the near future. PREVIOUS EXPERIMENTAL WORK Although the formation of multiple liquids has been reported for various systems, to our knowledge this paper is the only substantiated evidence of a vapor-liquid-liquid equilibria in a naturally occurring gas. In 1940, Vink, Ames, and others reported the presence of two liquid phases in a hydrocarbon system consisting of mixtures of crude oils, solvents and natural gas. Eilerts and co-workers published data on the recombined fluids from a gas-condensate well. This condensed gas, containing approximately 76 per cent methane and 24 per cent ethane-plus, exhibited two distinct liquid phases. Weinaug and Bradley observed "unusual" phase behavior in a reservoir mixture. These workers postulated that the anomalous phase behavior was due to the "imminent formation of a second liquid phase". Botkin, Reamer, Sage and Lacey studied two California crude oils that exhibited multiple phases. Kohn and Kurata recently reported two equilibrium liquid phases in the methane-hydrogen sulfide system. Roof and Crawford and Eakin, et al, also have reported experiments with binary systems that formed two stable equilibrium liquid phases. APPARATUS AND PROCEDURE A U. S. Bureau of Mines Phase Equilibrium Apparatus was used in conducting this study. The apparatus and procedures employed in its operation have been previously described and will not be repeated in detail in this report. Briefly, the apparatus consists of a windowed cell which can be maintained within +/−0.5F for temperatures between room temperature and –320F. Pressure within the cell can be maintained within 0.1 per cent of gauge reading up to 800 psig. Equilibrium vapor and liquid samples are obtained in special containers for analysis by a mass spectrometer. Although the accuracy of the analyzer is about +/−0.1 mol per cent, the reproducibility of the phase-equilibrium apparatus is considered relatively Poor. Values reported from methane and nitrogen are considered accurate to +/−1.0 and +/−0.6 mol per cent. Data for ethane-plus in the vapor are accurate within 0.2 mol per cent; liquid-phase data for this aggregate component are accurate within 1.5 mol per cent. For helium in the vapor phase, the analytical data are accurate within 0.2 mol per cent; liquid-phase analyses for this component were obtained by the charcoal adsorption method described by Frost and are accurate within 0.006 mol per cent. All of these references to the accuracy of reported values are conservative estimates based upon a statistical treatment of reproducibility data obtained with the apparatus.

scholarly journals Phase equilibria and liquid phase behavior of the K2O-CaO-SiO2 system for entrained flow biomass gasification

Fuel ◽  
2020 ◽  
Vol 265 ◽  
pp. 116894
Author(s):  
Imam Santoso ◽  
Pekka Taskinen ◽  
Ari Jokilaakso ◽  
Min-Kyu Paek ◽  
Daniel Lindberg
Keyword(s):  
Liquid Phase ◽  
Phase Equilibria ◽  
Phase Behavior ◽  
Biomass Gasification ◽  
Sio2 System ◽  
Entrained Flow

scholarly journals Solid-Liquid Phase Equilibria for the Ternary System KNO3 + KH2PO4 + H2O at 283.15, 298.15, and 313.15 K

2018 ◽  
Vol 2018 ◽  
pp. 1-5 ◽  
Author(s):  
Jun-feng Wan ◽  
Fei Wang
Keyword(s):  
Liquid Phase ◽  
Ternary System ◽  
Phase Equilibria ◽  
Phase Diagrams ◽  
Solubility Data ◽  
Basic Data ◽  
Data Support ◽  
Different Temperatures ◽  
Solid Phases ◽  
Solid Liquid

The solid-liquid phase equilibria of the ternary system KNO3 + KH2PO4 + H2O at the temperatures of 283.15, 298.15, and 313.15 K and the pressure of  0.1 MPa are researched by isothermal solution saturation. The equilibria solid phases are researched by Schreinemakers method (wet residues). The solubility data are determined. Based on these data, the phase diagrams and the crystalline areas are determined. The phase equilibria at different temperatures are compared and discussed. All results can provide basic data support for crystallization and further researches.

VAN LAAR EQUATION AND UNIFAC TO CORRELATE THE DATA LIQUID PHASE EQUILIBRIA FOR THE EXTRACTION OF PHENOLIC COMPOUNDS FROM MODEL COAL TAR

2016 ◽  
Vol 72 (9) ◽  
Author(s):  
Dewi Selvia Fardhyanti ◽  
Wahyudi B. Sediawan ◽  
Panut Mulyono ◽  
Muslikhin Hidayat
Keyword(s):  
Phenolic Compounds ◽  
Liquid Phase ◽  
Phase Equilibria ◽  
Coal Tar ◽  
Van Laar Equation

A simulation study of self-assembly of ABC star terpolymers confined between two parallel surfaces

Soft Matter ◽  
2021 ◽  
Author(s):  
Zhiyao Liu ◽  
Zheng Wang ◽  
Yuhua Yin ◽  
Run Jiang ◽  
Baohui Li
Keyword(s):  
Simulated Annealing ◽  
Phase Behavior ◽  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Simulated Annealing Method ◽  
Parallel Surfaces ◽  
Annealing Method

Phase behavior of ABC star terpolymers confined between two identical parallel surfaces is systematically studied with a simulated annealing method. Several phase diagrams are constructed for systems with different bulk...

scholarly journals Phase Diagram of Binary Alloy Nanoparticles under High Pressure

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 2929
Author(s):  
Han Gyeol Kim ◽  
Joonho Lee ◽  
Guy Makov
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Interaction Parameter ◽  
Excess Volume ◽  
Eutectic Temperature ◽  
Calphad Method ◽  
Alloy Nanoparticles ◽  
Thermodynamic Conditions ◽  
Nanoparticle System ◽  
Pressure Phase

CALPHAD (CALculation of PHAse Diagram) is a useful tool to construct phase diagrams of various materials under different thermodynamic conditions. Researchers have extended the use of the CALPHAD method to nanophase diagrams and pressure phase diagrams. In this study, the phase diagram of an arbitrary A–B nanoparticle system under pressure was investigated. The effects of the interaction parameter and excess volume were investigated with increasing pressure. The eutectic temperature was found to decrease in most cases, except when the interaction parameter in the liquid was zero and that in the solid was positive, while the excess volume parameter of the liquid was positive. Under these conditions, the eutectic temperature increased with increasing pressure.

Phase equilibria modeling of biorefinery-related systems: a systematic review

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Marcos L. Corazza ◽  
Julia Trancoso
Keyword(s):  
Phase Equilibria ◽  
Phase Behavior ◽  
Fossil Fuel ◽  
Process Conditions ◽  
Design And Optimization ◽  
Waste Reuse ◽  
Wide Range ◽  
Prisma Statement ◽  
Fuel Substitution ◽  
The Subject

Abstract The search for sustainable ideas has gained prominence in recent decades at all levels of society since it has become imperative an economic, social, and environmental development in an integrated manner. In this context, biorefineries are currently present as the technology that best covers all these parameters, as they add the benefits of waste reuse, energy cogeneration, and fossil fuel substitution. Thus, the study of the various applicable biological matrices and exploring the technical capabilities of these processes become highly attractive. Thermodynamic modeling acts in this scenario as a fundamental tool for phase behavior predictions in process modeling, design, and optimization. Thus, this work aimed to systematize, using the PRISMA statement for systematic reviews, the information published between 2010 and 2020 on phase equilibria modeling in systems related to biorefineries to organize what is already known about the subject. As a result, 236 papers were categorized in terms of the year, country, type of phase equilibria, and thermodynamic model used. Also, the phase behavior predictions of different thermodynamic models under the same process conditions were qualitatively compared, establishing PC-SAFT as the model that best represents the great diversity of interest systems for biorefineries in a wide range of conditions.

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