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Isothermal vapor–liquid equilibrium measurements for the ternary mixture carbon dioxide + cyclopentane + cyclohexane at 353.15 K are reported. Phase equilibrium measurements were made in a high-pressure visual cell with variable volume using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The new measured data were modelled with the RK–PR equation of state (EoS) coupled with classical van der Waals (two-parameter conventional mixing rule, 2PCMR).

Liquid–liquid equilibrium data for ternary systems are scarce in literature, although they are important both for industry and simulations. Investigating ternary systems is usually costly and labor...

International audience; New isothermal vapor-liquid equilibrium (VLE) data for the carbon dioxide + 1,4dioxane system are reported at four temperatures (323.15, 333.15, 343.15, and 353.15) K and pressures up to 122.7 bar. The critical curve was also measured up to 158.8 bar and 420.15 K. Phase behavior measurements were performed in a high-pressure windowed cell with variable volume, using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The experimental results of this study are compared with the scarce available literature data. The new and all available literature data for the carbon dioxide + 1,4-dioxane binary system are modelled with the cubic Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) equations of state (EoS) with classical van der Waals mixing rules (two-parameter conventional mixing rules, 2PCMR). The modelling showed that SRK and PR models can accurately predict the phase behavior of the system studied.

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.

Vapor–liquid (VLE) data for the carbon dioxide + 1,2-dimethoxyethane binary system at 313.15, 323.15, 333.15, and 343.15 K up to 10.69 MPa and the critical curve are reported for the first time. Phase behavior measurements were made in a high-pressure visual cell with variable volume, using a static-analytical method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The new measured data for carbon dioxide +1,2-dimethoxyethane system were modeled with two cubic equations of state (EoS), namely the Peng–Robinson (PR), and Soave–Redlich–Kwong (SRK), coupled with both classical van der Waals (two-parameter conventional mixing rule, 2PCMR) and Gibbs excess energy (GE) mixing rules (HV-residual UNIQUAC, MHV1, MHV2, COMB1, COMB2).

New isothermal vapor–liquid equilibrium (VLE) and vapor–liquid–liquid equilibrium data for the carbon dioxide + 1-octanol system are reported at several temperatures, 303.15, 310.15, 315.15, 323.15, and 333.15 K, and pressures up to 145 bar. A static-analytical method with phase sampling was used. The experimental results of this study are compared with literature data when available and discussed. The new and all available literature data for the carbon dioxide +1-octanol binary system are modeled with the cubic general equation of state and Peng–Robinson equations of state (EoS) with classical van der Waals mixing rules. The aforementioned EoS’s were used to model the phase behavior of the carbon dioxide + 1-octanol binary system (critical curves, the three-phase equilibrium curve, isothermal VLE, and vapor–liquid–liquid equilibria), using a semipredictive approach. The results of the calculations are compared to the new data reported in this work and to all available literature data. The results show a...

Isothermal (vapour + liquid) equilibrium (VLE) data for the binary systems (carbon dioxide + cyclopentane) and (carbon dioxide + cyclohexane) were determined using a (static + analytical) method with phases sampling by rapid online sample injectors (ROLSI) coupled to a gas chromatograph (GC) for analysis. The VLE behaviour for these systems was also analysed based on the PR and RKPR equations of state (EoS) and different available data from the literature, both critical and subcritical. It is clearly shown how CO 2 is more soluble and miscible with normal alkanes than with the corresponding cycloalkanes. Predictions based on the general correlation of available data in wide ranges of conditions suggest the appearance of double retrograde behaviour at least for (CO 2 + cyclohexane) mixtures with very low contents of the hydrocarbon in CO 2 , being this phenomenon very much related to asymmetry of the system. The existence of this phenomenon has not been experimentally confirmed yet for these systems and should be explored. Fil: Sima, Sergiu. Politehnica University of Bucharest; Rumania Fil: Milanesio, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales; Argentina Fil: Ramello, Juan Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (I). Grupo Vinculado al Plapiqui - Investigación y Desarrollo en Tecnología Química; Argentina Fil: Secuianu, Catinca. Politehnica University of Bucharest; Rumania Fil: Feroiu, Viorel. Politehnica University of Bucharest; Rumania Fil: Geană, Dan. Politehnica University of Bucharest; Rumania

New isothermal vapor–liquid equilibrium (VLE) data for the carbon dioxide + 2-octanol system are measured at five temperatures between 298.15 and 333.15 K and pressures up to 103 bar. The experimental method used is the static-analytical one with phases sampling. The new experimental data obtained in this study are compared with all available literature data and discussed. The new and all available literature data for the carbon dioxide + 2-octanol binary system are modeled with three cubic equations of state, namely the G eneral E quation o f S tate (GEOS), Soave–Redlich–Kwong (SRK), and Peng–Robinson (PR) equations of state (EoS) with classical van der Waals mixing rules. The phase behavior of the carbon dioxide + 2-octanol binary system (critical curves, the three-phase equilibrium curves, isothermal VLE, and vapor–liquid–liquid equilibria) was modelled using a semi-predictive methodology. The results of the calculations are compared to both the new data reported in this work and all available literature data. The results show a satisfactory level of agreement between the models and the experimental data.

The phase behavior of the carbon dioxide + cycloalkane mixtures usually receives low attention, though these systems are important for many industries, e.g. the carbon capture and storage. In this paper calculations results for the carbon dioxide + cyclopentane binary system are presented, based on SRK and PR cubic equations of state with classical van der Waals mixing rules. A single set of binary parameters for each model was proposed to predict the global phase behavior of the system in a wide range of pressure and temperature. Albeit the thermodynamic models used are simple, they are able to represent fairly well the phase behavior of the system analyzed in this paper. Fil: Sima, Sergiu. University Politehnica of Bucharest. Department of Inorganic Chemistry, Physical Chemistry & Electrochemistry; Rumania Fil: Cruz Doblas, Julia. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnológico Bahia Blanca. Planta Piloto de Ingenieria Quimica (i). Grupo Vinculado Al Plapiqui - Investigación y Desarrollo en Tecnologia Quimica; Argentina Fil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnológico Bahia Blanca. Planta Piloto de Ingenieria Quimica (i). Grupo Vinculado Al Plapiqui - Investigación y Desarrollo en Tecnologia Quimica; Argentina Fil: Secuianu, Catinca. University Politehnica of Bucharest. Department of Inorganic Chemistry, Physical Chemistry & Electrochemistry; Rumania. Imperial College London; Reino Unido

New vapor-liquid equilibria (VLE) data at 333.15, 343.15, and 353.15 K and pressures up to 130.0 bar are reported for the carbon dioxide + 2-methyl-1-propanol (isobutanol) system. The experimental method used in this work was a static analytical method with liquid and vapor phases sampling using a rapid online sampler injector (ROLSITM) coupled to a gas chromatograph (GC) for analysis. Measured VLE data and literature data for carbon dioxide + 2-methyl-1-propanol system were modeled with the Soave-Redlich-Kwong (SRK) cubic equation of state with classical van der Waals (two-parameter conventional mixing rule, 2PCMR) mixing rules. A single set of interaction parameters that lead to a correct phase behavior was used in this work to model the new VLE data and critical points of the mixtures in a wide range of temperature and pressure. The SRK prediction results were compared to the new data measured in this study and to available literature data.

An unexpected synthesis of 4,5,6,7,8,9-hexahydro-1,3-diazonine, using hexamethylenediamine and dimethylformamide, is presented. The cyclization process was explained as a two-step process involving formylation and subsequent intramolecular condensation. The scope of this process was demonstrated through the synthesis of two other nitrogen-containing macroheterocycles.

Vapor–liquid equilibria (VLE) data at (323.2, 333.2, 343.2, 353.2 and 363.2) K and pressures between 0.85 and 10.9 MPa for the carbon dioxide + ethyl acetate system are reported. The experimental method used in this work was a static analytical method with liquid phase sampling using a rapid on-line sampler injector (ROLSI™) coupled to a gas chromatograph (GC) for analysis. Measured VLE data and literature data for carbon dioxide + ethyl acetate system were modeled with a general cubic equation of state (GEOS) using classical van der Waals (two parameters conventional mixing rule – 2PCMR) mixing rules. A single set of interaction parameters was used to represent the VLE data, the critical line of the system and the mixture densities in a wide range of temperatures, pressures and compositions. The calculation results were compared to the new data reported in this work, and to available literature data. The results show a satisfactory agreement between the model and the experimental data.

Vapor–liquid equilibria (VLE) data at (333.2, 343.2, 363.2, and 373.2) K and pressures between (1.1 and 14.1) MPa and critical data (pressure–temperature–composition) at pressures between (9.1 and 13.9) MPa for the carbon dioxide + ethanol system are reported. The experimental method used in this work was a static analytical method with liquid phase sampling using a rapid online sampler injector (ROLSI) coupled to a gas chromatograph (GC) for analysis. Measured VLE data and literature data for carbon dioxide + ethanol system were modeled with a general cubic equation of state (GEOS) using classical van der Waals (two-parameter conventional mixing rule, 2PCMR) mixing rules. A single set of interaction parameters, representing the critical pressure maximum (CPM) well, was used in this work to represent the new VLE data and critical points and to predict the densities of the mixtures in a wide range of temperature, pressure, and composition. The calculation results were compared to the new data reported in t...