The chilled ammonia process absorbs the CO2 at low temperature (2–10 ∘C). heat of absorption carbon dioxide by is significantly lower than for amines. In addition, degradation problems can be avoided and a high capacity achieved. Hence, this shows good perspectives decreasing energy requirement. However, scientific understanding processes required. properties NH3- CO2- H2O system were described using Extended UNIQUAC electrolyte model developed Thomsen Rasmussen in range from 0 to 110 ∘C...

Monte Carlo simulation methods for determining fluid- and crystal-phase chemical potentials are used the first time to calculate liquid water−methane hydrate−methane vapor phase equilibria from knowledge of atomistic interaction alone. The water methane molecules modeled using TIP4P/ice potential a united-atom Lennard-Jones potential, respectively. equilibrium calculation method this system has three components, (i) thermodynamic integration supercritical ideal gas obtain fluid-phase...

The cellulose dissolution ability of 357 ionic liquids (ILs) formed from 17 cations and 21 anions was assessed by COSMO-RS prediction; three models for were compared; 7 the ILs evaluated experimentally to dissolve cellulose.

Despite great efforts over the past decades, thermodynamic modeling of electrolytes in mixed solvents is still a challenge today. The existing frameworks based on activity coefficient models are data‐driven and require expert knowledge to be parameterized. It has been suggested that predictive capabilities could improved through development an electrolyte equation state. In this work, Cubic Plus Association (CPA) Equation State extended handle mixtures containing by including electrostatic...

The static permittivity is the most important physical property for thermodynamic models that account electrostatic interactions between ions. measured in mixtures containing electrolytes reduced due to kinetic depolarization and reorientation of dipoles electrical field surrounding Kinetic may explain 25-75% observed decrease solutions salts, but since this a dynamic property, effect should not be included modeling electrolytes. has, however, been ignored relation modeling, authors have...

Equilibrium total pressures were measured and equilibrium CO2 partial calculated from the pressure data in binary ternary aqueous solutions of 2-(diethylamino)ethanol (DEEA) 3-(methylamino)propylamine (MAPA). The measurements carried out a commercially available calorimeter used as an cell. examined systems 5 M DEEA, 2 MAPA, 1 MAPA mixtures DEEA + (5D2M) (5D1M), which gave liquid–liquid phase split upon absorption. function loading at three different temperatures 40 °C, 80 120 °C. All...

The thermodynamics of electrolyte solutions has been investigated by many scientists throughout the last century. While several theories have presented, most popular models for electrostatic interactions are based on Debye–Hückel and mean spherical approximation (MSA) theories. In this paper we investigate differences between MSA theories, comparisons numerical results Helmholtz energy its derivatives with respect to temperature, volume composition presented. investigation shows that...

An upgraded version of the extended UNIQUAC thermodynamic model for carbon dioxide−ammonia−water system has been developed, on basis original proposed by Thomsen and Rasmussen (Chem. Eng. Sci. 1999, 54, 1787). The was valid in temperature range 0−110 °C, pressure 0−10 MPa, concentration up to 80 m ammonia. In this work, validity 150 °C accuracy improved increasing number experimental data points from 2000 more than 3700. These consisting vapor−liquid equilibrium various ranges, enthalpy...

Abstract Four equations of state have been implemented and evaluated for multicomponent electrolyte solutions at 298.15 K 1 bar. The contain terms accounting short‐range long‐range interactions in solutions. Short range are described by one the three state, Peng‐Robinson, Soave‐Redlich‐Kwong, or Cubic‐Plus‐Association (CPA). Long‐range either simplified mean spherical approximation (MSA) solution Ornstein–Zernicke equation Debye–Hückel term. An optional Born term is added to these...

Use of low-dosage hydrate inhibitors in oil and gas field applications has been limited mainly because there are uncertainties related to their efficiency preventing formation or environmental restrictions. Another question that normally arises connection with use is how they interact other (than water) compounds found production pipelines. In this work three different experimental approaches obtain induction times have tested for structure I II hydrate. All experiments were conducted a...

An extensive comparison of SRK, CPA, and PC-SAFT for the speed sound in normal alkanes has been performed. The results reveal that captures curvature better than cubic EoS, but accuracy is not satisfactory. Two approaches have proposed to improve PC-SAFT's sound: (i) putting data into parameter estimation; (ii) both universal constants regression estimation. shown second approach can significantly (3.2%) prediction while keeping acceptable primary properties, i.e. vapor pressure (2.1%)...

The static permittivity is a key property for describing solutions containing polar and hydrogen bonding compounds. However, the precise relationship between molecular dielectric properties not well-established. Here we show that relative at zero frequency (static permittivity) can be modeled simultaneously with thermodynamic properties. calculated from an extension of framework developed by Onsager, Kirkwood, Fröhlich to associating mixtures. are cubic-plus-association (CPA) equation state...

Heat of absorption CO2 in phase change solvents containing 2-(diethylamino)ethanol (DEEA) and 3-(methylamino)propylamine (MAPA) were measured as a function loading at different temperatures using commercially available reaction calorimeter. The tested systems aqueous single amines (5 M DEEA, 2 MAPA, 1 MAPA) amine mixtures DEEA + MAPA 5 which give two liquid phases on reacting with CO2. All parallel experiments have shown good repeatability. measurements taken isothermally three temperatures,...