scholarly journals Topological Invariants of Vapor–Liquid, Vapor–Liquid–Liquid and Liquid–Liquid Phase Diagrams

Entropy ◽  
2021 ◽  
Vol 23 (12) ◽  
pp. 1666
Author(s):  
Anastasia V. Frolkova

The study of topological invariants of phase diagrams allows for the development of a qualitative theory of the processes being researched. Studies of the properties of objects in the same equivalence class may be carried out with the aim of predicting the properties of unexplored objects from this class, or predicting the behavior of a whole system. This paper describes a number of topological invariants in vapor–liquid, vapor–liquid–liquid and liquid–liquid equilibrium diagrams. The properties of some invariants are studied and illustrated. It is shown that the invariant of a diagram with a miscibility gap can be used to distinguish equivalence classes of phase diagrams, and that the balance equation of the singular-point indices, based on the Euler characteristic, may be used to analyze the binodal-surface structure of a quaternary system.

Processes ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 413
Author(s):  
Sandra Lopez-Zamora ◽  
Jeonghoon Kong ◽  
Salvador Escobedo ◽  
Hugo de Lasa

The prediction of phase equilibria for hydrocarbon/water blends in separators, is a subject of considerable importance for chemical processes. Despite its relevance, there are still pending questions. Among them, is the prediction of the correct number of phases. While a stability analysis using the Gibbs Free Energy of mixing and the NRTL model, provide a good understanding with calculation issues, when using HYSYS V9 and Aspen Plus V9 software, this shows that significant phase equilibrium uncertainties still exist. To clarify these matters, n-octane and water blends, are good surrogates of naphtha/water mixtures. Runs were developed in a CREC vapor–liquid (VL_ Cell operated with octane–water mixtures under dynamic conditions and used to establish the two-phase (liquid–vapor) and three phase (liquid–liquid–vapor) domains. Results obtained demonstrate that the two phase region (full solubility in the liquid phase) of n-octane in water at 100 °C is in the 10-4 mol fraction range, and it is larger than the 10-5 mol fraction predicted by Aspen Plus and the 10-7 mol fraction reported in the technical literature. Furthermore, and to provide an effective and accurate method for predicting the number of phases, a machine learning (ML) technique was implemented and successfully demonstrated, in the present study.


1983 ◽  
Vol 23 (04) ◽  
pp. 587-594 ◽  
Author(s):  
James P. Frimodig ◽  
Norman A. Reese ◽  
Craig A. Williams

Abstract Engineering methods are being developed to evaluate reservoir fluid systems for Suitability to CO2 flooding. This paper presents our evaluation procedure as applied to laboratory data for a high-pour-point [95 degrees F (35 degrees C)] oil from the Red Wash field in Utah. The data were obtained from phase behavior and slim tube experiments. The results of this work indicate that high pressures are required for a miscible displacement of the highly paraffinic. high-pour-point Red Wash oil. The minimum miscibility pressure (MMP) was found to be 4,650 psia (32 060 kPa), increasing only 5% to 4,900 psia (33 784 kPa) when the injected CO2 contains a 10 mol% nitrogen contaminant. These pressures are not currently economically obtainable in the Red Wash field. lntroduction The Red Wash field is located in Utah in the northeastern Uinta basin. With a comparatively low ultimate recovery predicted from primary depletion and waterflooding operations, the field is considered an attractive condidate for tertiary recovery methods. The work reported in this paper presents laboratory experiments and calculation techniques used in evaluating reservoir fluids for CO2 flooding. The laboratory work includes constant composition experiments, vapor/liquid equilibrium experiments, liquid-phase viscosity experiments, and slimtube multiple-contact miscibility experiments. Calculation techniques utilized a two-constant equation of state (EOS) to predict phase behavior and fluid properties. One CO2 source available in the area contains approximately 10 mol% nitrogen. To evaluate the effect of nitrogen contamination, experiments were performed with two different gases, one with and one without the nitrogen contaminant. Red Wash Oil/CO, Gas Physical Property Measurements Physical property data for the Red Wash oil/CO2 gas system were obtained from constant composition expansion (CCE), vapor/liquid equilibration (VLE), and liquid-phase viscosity experiments. CCE experiments were conducted to determine the pressure/composition behavior (bubble-point/dew-point envelope) of Red Wash oil and injection gases. VLE experiments measured vapor/liquid equilibrium constants (K values). Liquid-phase viscosities determine to what extent injection gases dissolved in the liquid phase affect the flow behavior of the reservoir oil. All experiments used Red Wash reservoir oil and two different injection gases. The first CO2 gas (Gas 1 ) was approximately 5 mol% methane and 95 mol % CO 2. The second CO2 gas (Gas 2) contained about 10 mol% nitrogen, 5 mol% methane, and 85 mol %, CO2. The exact compositions of Gases 1 and 2 and Red Wash reservoir oil are shown in Table 1. CCE Experiments A high-pressure visual PVT cell was used in the CCE experiments. All experiments were conducted at the reported reservoir temperature of 130 degrees F (54.4 degrees C). During each CCE the visual cell was loaded with measured volumes of Red Wash oil and injection gas. SPEJ P. 587^


2019 ◽  
Vol 25 (1) ◽  
pp. 67-76
Author(s):  
Ljiljana Zivanic ◽  
Marko Stamenic ◽  
Branislav Todic ◽  
Dragomir Bukur ◽  
Nikola Nikacevic

Predictions of vapor liquid equilibrium for Fischer-Tropsch mixtures were compared using the classical Soave-Redlich-Kwong (SRK) and cubic-plus-association (CPA) equations of state. The performance of the two equations of state was evaluated based on comparison with results from eight sets of experimental runs in which different process conditions (pressure, reactants feed ratio, space velocity) were used. Flash calculations were used to determine the phase split at defined process conditions, whereas the phase equilibrium was defined utilizing the concept of equal fugacities in the vapor and the liquid phase for all components. A total of 75 components were considered in the reaction mixture: CO, H2, H2O, CO2, C1-C57 paraffins and C2-C15 olefins. All calculations were performed in MATLAB. The results showed that both equations of state had similar performance regarding the hydrocarbons, whereas CPA gave better results with inorganic components and SRK with prediction of the composition of the liquid phase. Computational time for CPA was substantially (100 times with the CPU used) higher than that for SRK. Overall, the use of CPA did not improve VLE prediction for FTS systems significantly enough to be recommended for use in FTS reactor models.


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