High-pressure fluid-phase equilibria: Trends, recent developments, and systems investigated (2009–2012)

Peper, Stephanie; Fonseca, José; Dohrn, Ralf

doi:10.1016/j.fluid.2018.10.007

Cited by 80 publications

(65 citation statements)

References 987 publications

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“…The third term on the right hand side of Equation (8) is the excess chemical potential of species which is obtained from sampling the probability distribution of λ. Alternatively, Equation (3) can be used to obtain the excess chemical potential. The fugacity coefficient of component i follows from [175]: (10) in which Z m = N t RT P〈V〉 is the compressibility of the mixture and N t is the total number of molecules in the mixture.…”

Section: Continuous Fractional Component Monte Carlo In the Gibbs Ensmentioning

confidence: 99%

“…Examples of such processes are: enhanced oil recovery [4], carbon capture and storage [5], heat-pump cycles [6], the Haber-Bosch process [7], hydrogen compression for transportation and storage [8,9], etc. [10]. This highlights the importance of performing experiments and modelling of phase equilibria at high pressures to better understand the physics of such processes [11].…”

Section: Introductionmentioning

confidence: 98%

“…An overview of experimental methods for high-pressure phase equilibria measurements can be found in Refs. [10][11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

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Recent advances in the continuous fractional component Monte Carlo methodology

Rahbari

Hens

Ramdin

et al. 2020

Molecular Simulation

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In this paper, we review recent advances in the Continuous Fractional Component Monte Carlo (CFCMC) methodology and present a historic overview of the most important developments that have led to this method. The CFCMC method has gained attention for Monte Carlo simulations of adsorption at high loading, and phase and reaction equilibria of dense systems. It has recently been extended to reactive systems. The main features of the CFCMC method are: (1) Increased molecule exchange efficiency between different phases in single and multicomponent (reactive) systems, which improves the efficiency and accuracy of phase equilibria simulations at high densities; (2) Direct calculation of the chemical potential from a single simulation; (3) Direct calculation of partial molar properties from a single simulation. The developed simulation techniques are incorporated in the open-source molecular simulation software Brick-CFCMC.

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Section: Continuous Fractional Component Monte Carlo In the Gibbs Ensmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

See 1 more Smart Citation

Recent advances in the continuous fractional component Monte Carlo methodology

Rahbari

Hens

Ramdin

et al. 2020

Molecular Simulation

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show abstract

“…What Nalawade et al point out in their works is that an extremely important element is still the understanding of the basic relationships between supercritical fluids and polymers, their interactions and process kinetics because the current model achievements of the conditions of temperature, pressure and time dependence are not able to fully describe the experimental experiments in a correct way [ 11 , 135 , 152 , 153 , 154 , 155 , 156 , 157 , 158 , 159 , 160 ]. However, advances in the use of supercritical fluids will be driven by the need to reduce the use of environmentally toxic organic solvents and by the demand for these technologies by the medical [ 161 ], pharmaceutical [ 162 ], cosmetic and food industries [ 7 , 18 , 20 , 66 , 149 ].…”

Section: Future Perspectivesmentioning

confidence: 99%

“…In recent years, there has been a growing interest among researchers in the use of supercritical fluids in various industries, including one of the most important in terms of environmental impact, which is the polymer industry. For this reason, it is important to develop modern and environmentally friendly basic chemical processes [ 20 ].…”

Section: Introductionmentioning

confidence: 99%

Application of Fluids in Supercritical Conditions in the Polymer Industry

et al. 2021

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This article reviews the use of fluids under supercritical conditions in processes related to the modern and innovative polymer industry. The most important processes using supercritical fluids are: extraction, particle formation, micronization, encapsulation, impregnation, polymerization and foaming. This review article briefly describes and characterizes the individual processes, with a focus on extraction, micronization, particle formation and encapsulation. The methods mentioned focus on modifications in the scope of conducting processes in a more ecological manner and showing higher quality efficiency. Nowadays, due to the growing trend of ecological solutions in the chemical industry, we see more and more advanced technological solutions. Less toxic fluids under supercritical conditions can be used as an ecological alternative to organic solvents widely used in the polymer industry. The use of supercritical conditions to conduct these processes creates new opportunities for obtaining materials and products with specialized applications, in particular in the medical, pharmacological, cosmetic and food industries, based on substances of natural sources. The considerations contained in this article are intended to increase the awareness of the need to change the existing techniques. In particular, the importance of using supercritical fluids in more industrial methods and for the development of already known processes, as well as creating new solutions with their use, should be emphasized.

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Experimental solid–liquid equilibria and solid formation kinetics for carbon dioxide in methane for LNG processing

et al. 2023

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In cryogenic liquefaction processes, CO 2 poses a solid-formation risk even in trace concentrations. We present solid-fluid equilibrium (SFE) data for CO 2 in liquid methane at CO 2 concentrations from (52 to 500) ppm, extending the available data and indicating that models tuned to existing data over predict the solubility of CO 2 at LNG storage temperatures ($112 K) by nearly a factor of 3. The new data are used to improve the SFE model in the ThermoFAST software package. The formation kinetics of CO 2 solids in liquid methane are elucidated at conditions relevant to cryogenic gas processing. Repeated, ramped-temperature formation measurements provide a statistical basis for quantifying solidification risk. Nucleation rates extracted from the ramped-temperature data, consistent with those measured at fixed temperature, were used to extract parameters describing CO 2 solid formation in methane.These results significantly improve the ability to predict CO 2 solid formation risk in cryogenic natural gas processing.

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High-pressure fluid-phase equilibria: Trends, recent developments, and systems investigated (2009–2012)

Cited by 80 publications

References 987 publications

Recent advances in the continuous fractional component Monte Carlo methodology

Recent advances in the continuous fractional component Monte Carlo methodology

Application of Fluids in Supercritical Conditions in the Polymer Industry

Experimental solid–liquid equilibria and solid formation kinetics for carbon dioxide in methane for LNG processing

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