Recommended vapor pressures for aniline, nitromethane, 2-aminoethanol, and 1-methyl-2-pyrrolidone

Růžička, Květoslav; Fulem, Michal; Mahnel, Tomáš; Červinka, Ctirad

doi:10.1016/j.fluid.2015.06.045

Cited by 14 publications

(5 citation statements)

References 104 publications

(154 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The SpringerMaterials database on its vapor pressures includes 33 sources published until 2014. Later on, a set of recommended data was reported by Růẑička et al As is usually the case, some of these sources exhibit noticeable mutual deviations. All the examined approaches were parametrized considering the vapor pressure data.…”

Section: Resultsmentioning

confidence: 94%

See 1 more Smart Citation

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Fredj Elias,

Polishuk

2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

This study examines the accuracy of the simplest polarity-and association-neglecting forms of the critical point-based revision of perturbed chainstatistical association fluid theory (CP-PC-SAFT) predicting phase equilibria in the systems of N-methyl-2-pyrrolidone (NMP) with n-alkanes and nonpolar gases using the universal value of the binary parameter k 12 = 0.023. Previously, this value was obtained for the propane−phenol system, and its applicability for predicting phase equilibria in systems of various substituted aromatic and cyclic compounds by CP-PC-SAFT is assessed. It is found that this approach accurately predicts highpressure vapor−liquid ones (VLE) in the systems of NMP with nitrogen, methane, ethane, and carbon dioxide, slightly overestimates the solubility of argon in NMP, and overpredicts immiscibility in the systems of propane and n-butane. Additionally, despite some scattering, CP-PC-SAFT yields reliable predictions of the upper critical solution temperature (UCST) data in the systems of NMPheavier n-alkanes including n-hexadecane. It is also found that similar to the previously considered systems of substituted aromatic compounds, CP-PC-SAFT accurately estimates the compositions of the NMP-rich LLE phases but overpredicts the content of NMP in the n-alkane-rich ones. These results are compared with the predictions of PC-SAFT with various sets of pure compound parameters for NMP and the previously investigated substituted aromatic compounds. It appears that the lack of a standardized PC-SAFT parametrization scheme represents a significant obstacle to the implementation of this model to systems of different solvents with transferrable universal k 12 values. At the same time, PC-SAFT approaches that consider self-association may predict broader LLE phase splits. Incorporating LLE data into the parametrization procedures of such approaches can significantly improve accuracy at the expense of predictive capability.

show abstract

Section: Resultsmentioning

confidence: 94%

“…Vapor pressures of pure NMP. Pointsexperimental data. , Black solid lineresults of CP-PC-SAFT, blue dashed line-results of PC-SAFT parametrized by van Niekerk et al, red dotted–dashed lineresults of PC-SAFT parametrized by Razavi et al, and pink dotted--dotted–dashed lineresults of PC-SAFT parametrized by Alcalde et al …”

Section: Resultsmentioning

confidence: 99%

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Fredj Elias,

Polishuk

2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

show abstract

“…The selected experimental vapor data (given in bold in Table 11) cd was obtained from the condensed-phase data given in Section 3.3 at temperatures below 340 K. Fusion temperatures and enthalpies recommended in this work were also included in the SimCor calculations. The SimCor method was described in detail in [23] (for the reader's convenience, a detailed description of the SimCor method is also presented in the SD) and was used in our laboratory to develop recommended vapor pressure and thermophysical data for several groups of crystalline and liquid compounds (see, for example, [58] and references therein).…”

Section: Simultaneous Treatment Of Vapor Pressures and Related Thermamentioning

confidence: 99%

Polymorphism and thermophysical properties of l- and dl-menthol

Štejfa

Bazyleva

Fulem

et al. 2019

The Journal of Chemical Thermodynamics

Self Cite

View full text Add to dashboard Cite

The thermodynamic properties, phase behavior, and kinetics of polymorphic transformations of racemic (DL-) and enantiopure (L-) menthol were studied using a combination of advanced experimental techniques, including static vapor pressure measurements, adiabatic calorimetry, Tian-Calvet calorimetry, differential scanning calorimetry (DSC), and variable-temperature X-ray powder diffraction. Several concomitant polymorphs (α, β, γ, and δ forms) were observed and studied. A continuous transformation to the stable α form was detected by DSC and monitored in detail using X-ray powder diffraction. A long-term coexistence of the stable crystalline form with the liquid phase was observed. The vapor pressure measurements of both compounds were performed using two static apparatus over a temperature range from 274 K to 363 K. Condensedphase heat capacities were measured by adiabatic and Tian-Calvet calorimetry in the wide temperature interval from 5 K to 368 K. Experimental data of Land DL-menthol are compared mutually as well as with available literature results. The thermodynamic functions of crystalline and liquid L-menthol between 0 K and 370 K were calculated from the calorimetric results. The thermodynamic properties in the ideal-gas state were obtained by combining statistical thermodynamics and quantum chemical calculations based on a thorough conformational analysis. Calculated ideal-gas heat capacities and experimental data on vapor pressure and condensed-phase heat capacity were treated simultaneously to obtain a consistent thermodynamic description. Based on the obtained results, the phase diagrams of L-menthol and DL-menthol were suggested.

show abstract

“…Each method presents distinct advantages and disadvantages, including factors such as high investment costs, extensive energy consumption, limited capacity, and scalability challenges . For many decades, the predominant approach to carbon capture has been chemical sorption using monoethanolamine, , applied, for example, in gas and coal-fired power plants that produce large amounts of carbon dioxide . However, the sorption capacity decreases during the process, as the solution is diluted by its CO 2 adduct.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Study of Selected Cyclohexanediamines─Sorbents of Carbon Dioxide

Kocian,

Štejfa,

Vrbka

et al. 2024

Energy Fuels

Self Cite

View full text Add to dashboard Cite

Atmospheric processes, especially those related to the greenhouse effect and gradual climate change, are crucial topics of the 21st century. The most abundant pollutant produced by a full spectrum of human activities is carbon dioxide. Carbon capture and storage/utilization (CCS/CCU) processes can serve as a means not only to reduce the carbon dioxide emissions but also to lower its atmospheric concentration to preindustrial times in the future, not to mention the possibility of direct application of captured carbon dioxide for other processes. Among CCS techniques, direct air capture of carbon dioxide (DAC) is a promising technology, but sorbents with sufficient absorption efficiency and feasible consecutive release are still to be searched for. The traditionally used amines and amino alcohols are not very effective, so alternatives are being sought. Recently, cyclohexane-based diamines have been shown to be promising substitutes; moreover, the captured carbon dioxide forms solid reaction products with the sorbents (carbamic acids) that can be easily separated from the process. The easy recovery of the liquid sorbents, together with the release of CO 2 for further use, represents a significant advantage over currently used technologies. Four cyclohexane-based diamines, including the most promising one of the previously tested compounds, isophorone diamine, were chosen for thorough thermodynamic characterization to facilitate the introduction of these compounds for industrial use. A phase behavior study was performed to determine the temperature range of their applicability. Combustion enthalpies were measured with a bomb calorimeter, and heat capacities were measured using a Tian-Calvet calorimeter. Vapor pressures were studied by means of a static method, and temperature-dependent enthalpies of vaporization were derived.

show abstract

Recommended vapor pressures for aniline, nitromethane, 2-aminoethanol, and 1-methyl-2-pyrrolidone

Cited by 14 publications

References 104 publications

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Polymorphism and thermophysical properties of l- and dl-menthol

Thermodynamic Study of Selected Cyclohexanediamines─Sorbents of Carbon Dioxide

Contact Info

Product

Resources

About

Recommended vapor pressures for aniline, nitromethane, 2-aminoethanol, and 1-methyl-2-pyrrolidone

Cited by 14 publications

References 104 publications

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k12 Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k12 Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Polymorphism and thermophysical properties of l- and dl-menthol

Thermodynamic Study of Selected Cyclohexanediamines─Sorbents of Carbon Dioxide

Contact Info

Product

Resources

About

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds