The present review proposes itself to be a collection of decades of literature data about flue-gas usage for gas hydrate production; the results reported here may promote future research on this still quite unexplored field. This paper will put on evidence the main features and advantages associated to the use of these mixtures in the aforementioned application. For instance, it emerges that flue-gas

The Cubic Plus Association (CPA) equation of state combines the Soave-Redlich-Kwong equation of state with the association term from the Wertheim theory. To describe the phase behaviour of chemical compounds, three parameters are required for non-associating compounds and five are needed for associating compounds. However, these parameters are hard to find for some chemical compounds, for example,

The Soave-Redlich-Kwong equation of state (SRK EOS) is widely used for phase behavior simulation of hydrocarbon mixtures. However, its applicability and reliability are limited for heavier hydrocarbon mixtures and reservoir fluids. This research presents optimized critical temperatures (TC), critical pressures (PC), and acentric factors (ω) parameters for n-alkanes up to C100 for improved volumetric

In a previous publication (Xie et al., Langmuir 29, 2659 (2013)), we demonstrated that polymer solutions, which display a bulk lower critical solution temperature (LCST) may undergo a phase transition in a porous environment below the LCST. Such capillary induced transitions are thus supra-critical, given that the associated bulk solution only contains a single fluid phase. The current work explores

High-pressure phase equilibrium and volumetric properties of highly asymmetric mixtures related to reservoir fluids are critical to the development of high-pressure and high-temperature (HPHT) reservoirs. However, there is a lack of the relevant data and accurate modeling tools. In this work, we prepared asymmetric pseudo-binary mixtures of methane (CH4) + stock tank oil (STO) and systematically measured

Ethyl lactate is a hydrophilic solvent produced from bio-renewable sources (bioethanol and lactic acid produced from corn fermentation) that is considered as a “green” solvent due to its extremely low toxicity, biodegradability and negligible eco-toxicity. This work focuses on the utilization of ethyl lactate to form aqueous two-phase systems (ATPS) in the presence of inorganic salts for the extraction

Carbon dioxide is among the most crucial impurity in natural gas and must be removed from the gas before any use to avoid environmental damage and problem. The CO2 absorption with the alkanolamine process is widely used for this purpose. This study has been dedicated to modeling the aqueous CO2+ N-methyldiethanolamine (MDEA) system's vapor-liquid equilibrium within the temperature range 297.7-413.15

The three-dimensional Gaussian core model (GCM) for soft-matter systems has repulsive interparticle interaction potential ϕ(r)=εexp[−(r/σ)2], with r the distance between a pair of atoms, and the positive constants ε and σ setting the energy and length scales, respectively. ϕ(r) is mostly soft in character, without the typical hard core present in fluid models. We work out the thermodynamic Ricci curvature

In this paper, we proposed a new correlation for the temperature dependent viscosity of saturated refrigerants liquids based on the recent progresses on the relation between surface tension and viscosity of liquids [J. X. Tian et al., Industrial & Engineering Chemistry Research, 53, 9499, 2014] and the temperature dependent surface tension of liquids [S. G. Yang et al., Industrial & Engineering Chemistry

A group contribution procedure, on the basis of SAFT-γ equation, is extended to cover new families of imidazolium-based ionic liquids (ILs), with either the [MeSO3], [MeSO4], [EtSO4] or [CF3SO3] anions. The IL groups of the SAFT-γ equation were fit to IL density data at temperatures from 293.15 to 393.15 K. Pressures varied up to 60 MPa. The groups corresponding to the CO2+IL systems were optimized

An image-based machine learning (ML) method is introduced to predict the surface tension of an ethanol-water pendant drop made of unknown ethanol-water composition. In contrast to previous neural-network based surface tension predictors that rely on using either the simplified molecular-input line-entry system or experimentally measured surface tension values, the present image-based deep neural network

A polemic is given regarding the thermodynamic properties reported in the published paper. Tong and co-authors made a mistake that the calculated values of lnγ1∞ and H1E,∞ that the authors report in Table 5 of the manuscript are thermodynamically inconsistent with each other.

Developing novel hybrid ionic liquid/porous material/co-solvent absorbents with the confinement effect is essential for CO2 separation. In this study, CO2 solubilities in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide/titanium dioxide/polyethylene glycol ([Hmim][Tf2N]/TiO2-PEG200) with different ratios of [Hmim][Tf2N]/TiO2 and various roughnesses of TiO2 (P25 and T500) were measured

The physical properties of pure compounds are fundamental to chemical, biochemical, and environmental industries. One of these properties is the enthalpy of vaporization (ΔvapH). Although the experimental values of this property in literature are quite limited, and measurements to derive it are expensive and time-consuming. For this reason, group contribution methods are essential tools. The present

The applications of electrolyte thermodynamic models to non-aqueous systems is of great value to reduce experimental effort and gain inside into molecular interactions. A large-scale application is for example the design of advanced battery electrolytes. For non-aqueous electrolyte systems, the Born term was found to be important, as it accounts for the transfer of ions from water into non-aqueous

Asphaltene precipitation is one of the major flow-assurance problems in petroleum engineering. Asphaltene precipitation in the reservoirs can lead to formation damage, while asphaltene precipitation in the production tubing can reduce the production rate and even plug the production tubing. It may occur to the naturally produced oil experiencing pressure/temperature changes or during gas injection

A continuous flow apparatus was applied to measure the phase equilibrium at 523 K and 573 K. The performance of the apparatus was analysed with the determination of vapor pressures of water at the temperatures (T = 453 K and 473 K). The measured water vapor pressures deviated from the literature values less than 1 %. Vapor pressures of n-dodecane, n-hexadecane and phenol were measured at the temperatures

The thermophysical properties of an evaporative thin water film that is near the triple line may change because of the effects of size, geometry, interface, temperature, etc. However, the factor-dependence of the properties was seldom considered for the corresponding nanoscale transport phenomena or processes. In this work, the effects of the interface and temperature on the thickness-dependent specific

Isobaric-isothermal flash calculations are at the heart of any process calculation. In this paper, we propose two new methods for flash calculations at a specified temperature and pressure. The governing equations derived can not only be solved rapidly but also converge correctly even very close to the critical point with the methods presented in this paper. The derived equations show that simplified

Combined with a high-pressure vibrating-tube densimeter and capillary viscometer, the density and viscosity of CO2(1)+ethyl acetate(2) binary systems with x2 = 0.000, 0.036, 0.075, 0.117, 0.163, and 1.000 were measured under conditions of 308.15–338.15 K and 15–45 MPa. In addition, the volumes of mixing (ΔVm) and viscosity deviation (Δη) were also calculated. The results illustrate that the density

Numerical simulation of two-phase fluid flow requires the Rachford Rice equation to be solved repeatedly at each grid block and at each time step to estimate the distribution of mass between the gas and the liquid phase. Despite its simplicity and monotonicity, the non-linearity of the Rachford Rice function imposes the need to utilize iterative methods which may take a considerable amount of time

In this work, ePC-SAFT-DGT (i.e., the coupling of ePC-SAFT with the density gradient theory (DGT)) was further developed by modifying the expression for estimating the chemical potential of IL ion-pair and extended to study the interfacial properties of 82 ionic liquids (ILs) containing one of the IL-cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and one of the IL-anions ([Tf2N]−, [PF6]−

The coefficients of equations for estimating the critical temperatures, pressures, and densities of homologous series with the general formula R1(CH2)nR2 have been calculated using the current experimental database. The equations are based on the hypothesis of functional self-similarity and the scaling behaviour of the critical constants of long-chain molecules (Nikitin et al. Fluid Phase Equilib.

Fugacity coefficients of dilute aqueous solutions of six noble gases and simple fluids H2, N2, O2, CO, CH4 have been re-evaluated from ambient conditions (298 K, 0.1 MPa) to high temperatures (up to 2000 K) and water densities (up to 1500 kg m–3). The main goal of the reevaluation is to provide an agreement within 1% with experiment-based values of the vapor-liquid distribution constants, KD, which

SO2 emission from fossil fuels combustion in the environment has led to various environmental and health hazards drawing the significant attention of the world to control. SO2 capture through metal-organic frameworks (MOFs) as adsorbent is a promising environmental technology to eliminate the emission of SO2. Many factors have been identified that influence the activity of SO2 separations for flue

We present a novel molecular thermodynamic framework for the unambiguous assessment of the reliability of modeling approximations, their internal consistency, and the compliance with fundamental limiting behaviors in the description of solvation phenomena of species at infinite dilution in fluid systems over wide ranges of state conditions and solute-solvent intermolecular asymmetries. The proposed

Nicotinamide is an organic acid belonging to the vitamin B3 family. This material holds high nutritional importance especially related to different aspects of health and tissue recovery. The development of alternative strategies for its production depends on studies concerning experiments and modeling. Solubility experiments provide data about the distribution of a target material under solid-liquid

Water activities of the CuCl2−MCl2−H2O (M = Mg, Ca) ternary systems and their sub-binary systems have been measured by the isopiestic method at 298.15 K. The maximum concentrations of the CuCl2−H2O, MgCl2−H2O and CaCl2−H2O binary systems are 5.28 mol•kg−1, 5.25 mol•kg−1 and 6.61 mol•kg−1, respectively. The concentrations of mixture solution rang from 0.91 mol•kg−1 to 5.69 mol•kg−1 for CuCl2−MgCl2−H2O

The transition from aqueous electrolyte systems to non-aqueous electrolyte systems is highly demanded in industrial applications and especially challenging for physics-based thermodynamic models. Electrolyte thermodynamics is a complex matter, and still not all physico-chemical effects are accounted for in state-of-the-art equations of state. The dielectric constant of non-aqueous electrolyte systems

In this work, the extractive potential, for biomolecules, of several aqueous biphasic systems (ABS) composed of polyethylene glycol (PEG) with varying molecular weight (400 and 4000) and different biodegradable organic salts, sodium citrate (Na3C6H5O7), sodium tartrate (Na2C4H4O6), and sodium succinate (Na2C4H4O4), were evaluated in the presence of the ionic liquid (IL) 1-butyl-3-methylimidazolium

BET model in its original or refined form (GAB) is widely used for studying the multilayer sorption of pure gases and vapors on the different solids. In this study, the BET model was theoretically extended for the prediction of gas mixtures sorption on the solids and the details of the model derivation with related assumptions were presented. Then, for better prediction, the extended GAB model which

In this work, the COSMO-SAC-Phi equation of state [Fluid Phase Equilib. 488 (2019) 13–26] is refined by the introduction of a new equation to describe dispersive effects. The proposed modification is inspired by the well-known rules of consistency for α-functions, used in cubic equations of state. The results for 38 representative compounds have shown that the proposed modification is able to improve

Thermodynamic modeling of phase behavior is one of the most fundamental components in the study of enhanced oil recovery by gas injection. Robust algorithms exist for multiphase equilibrium problems with no capillary pressure as commonly used in compositional reservoir simulation. However, various convergence problems have been reported even for simple two-phase split problems in the presence of capillary

In this position, the density, viscosity, and surface tension of 21 diverse mass proportion of 1,3-propanediol (PDO) and dimethyl sulfoxide (DMSO) mixed solution were determined in the temperature range of 293.15-318.15 K under atmospheric pressure. Otherwise, some thermodynamic quantities were computed on the basis of the measured values of the experiment, and the intermolecular forces of mixed solutions

In this work, the SAFT-VR Mie equation of state is used in conjunction with the Dubinin-Radushkevich-Astakhov (DRA) and Steele potentials, according to the Multicomponent Potential Theory of Adsorption (MPTA), to model the thermodynamic behavior of fluids confined in porous media. The problem specifications are the temperature, volume, and number of moles of each component, yielding a Helmholtz energy-minimization

The present work deals with a review of single-guest hydrate phase equilibrium data and also hydrate equilibrium in presence of chemical additives, which operate as inhibitors, promoters, or both together. In the recent years, a very limited number of data collections on hydrate equilibrium has been produced; moreover, these data have not been fully reported in these works, making further research