Modeling piperazine thermodynamics

Frailie, Peter T.; Plaza, Jorge M.; Wagener, David Van; Rochelle, Gary T.

doi:10.1016/j.egypro.2011.01.020

Cited by 28 publications

(14 citation statements)

References 4 publications

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“…Having already been successfully applied to MEA/CO 2 /H 2 O system [14][15][16], PZ/ CO 2 /H 2 O system [15,17], and AMP/PZ/CO 2 /H 2 O system [18], it was applied to 1MPZ/CO 2 /H 2 O in this work. By use of the Redlich-Kwong equation of state, the vapor phase fugacity coefficients were calculated.…”

Section: Introductionmentioning

confidence: 99%

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

Moullec²,

Lu³

et al. 2015

Fluid Phase Equilibria

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Section: Introductionmentioning

confidence: 99%

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

Moullec²,

Lu³

et al. 2015

Fluid Phase Equilibria

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“…The thermodynamic properties of a variety of aqueous amine solutions as CO 2 absorbents have been successfully modeled with the electrolyte non-random two liquid (e-NRTL) model. − ,,,, Hilliard prepared a comprehensive e-NRTL model in Aspen Plus of MEA/PZ/K 2 CO 3 /CO 2 regressing data for CO 2 solubility, amine volatility, heat capacity, heat of CO 2 absorption, and NMR speciation . Frailie et al developed PZ and PZ/MDEA models starting from Hilliard’s model to better fit the high temperature VLE and heat capacity data.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of CO₂/2-Methylpiperazine/Water

Chen

Rochelle

2013

Ind. Eng. Chem. Res.

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Aqueous 2-methylpiperazine (2MPZ) is an attractive solvent for CO2 capture from coal-fired power plants. Quantitative NMR spectroscopy was used to speciate at 40 °C 8 m 2MPZ loaded with CO2. 13C NMR spectra were acquired from 0 to 0.37 mol CO2/mol alkalinity (or per amino group). 13CO2 was used for solution preparation to amplify signals from carbamate and bicarbonate. The NMR spectra show that the unhindered 2MPZ monocarbamate is the dominant carbamate species and accounts for more than 75% of the total dissolved CO2; bicarbonate and 2MPZ dicarbamate each only account for up to 10% of the total absorbed CO2. Hindered 2MPZ was not detected. This speciation and CO2 solubility were represented by an electrolyte nonrandom two liquid thermodynamic model developed through data regression. At a CO2 loading giving 1.5 kPa CO2 partial pressure at 40 °C the heat of CO2 absorption varies from 50 to 75 kJ/mol at 40–140 °C. At 40 °C the equilibrium CO2 partial pressure was 0.5 kPa at 0.265 mol CO2/mol alkalinity and 5 kPa at 0.356 mol CO2/mol alkalinity. These values give an intrinsic CO2 operating capacity of 0.81 mol/kg (2MPZ + water) compared to 0.47 for 7 m MEA and 0.79 for 8 m piperazine.

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“…The values of heat capacity parameters for the 1-MPZ–CO 2 –H 2 O system are assumed to have the same values as similar species in the Frailie’s PZ model . The values for the heat capacity model parameters are reported in Table .…”

Section: Modelingmentioning

confidence: 99%

“…The values of heat capacity parameters for the 1-MPZ− CO 2 −H 2 O system are assumed to have the same values as similar species in the Frailie's PZ model. 33 The values for the heat capacity model parameters are reported in Table 8. (C p ig ) parameters for 1-MPZ and H 2 O and parameters were regressed in this work using experimental heat capacities measured in this laboratory.…”

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confidence: 99%

High-Pressure Solubility of Carbon Dioxide (CO₂) in Aqueous 1-Methyl Piperazine Solution

et al. 2014

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The solubility of CO 2 in aqueous solutions of 1-methyl piperazine (1-MPZ) was measured at (313 and 353) K for (15 and 30) wt % and up to a pressure of 7815 kPa, reaching a gas loading of 0.67 mol CO 2 /mol alkalinity . The electrolyte−NRTL (nonrandom two-liquid) model was used to correlate the data. Five adjustable ionic pair interaction parameters and six molecular interaction parameters were regressed, which allowed for the correlation of the experimental solubility data within an average deviation of 2 % in pressure and temperature and 7 % in experimental loading. The model was used to predict the speciation, heat of absorption, and pH of the loaded solutions. The predicted properties were compared with PZ to show the advantages in using piperazine derivatives in CO 2 capture.

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Modeling piperazine thermodynamics

Cited by 28 publications

References 4 publications

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

Thermodynamics of CO₂/2-Methylpiperazine/Water

High-Pressure Solubility of Carbon Dioxide (CO₂) in Aqueous 1-Methyl Piperazine Solution

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Modeling piperazine thermodynamics

Cited by 28 publications

References 4 publications

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

Thermodynamics of CO2/2-Methylpiperazine/Water

High-Pressure Solubility of Carbon Dioxide (CO2) in Aqueous 1-Methyl Piperazine Solution

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Thermodynamics of CO₂/2-Methylpiperazine/Water

High-Pressure Solubility of Carbon Dioxide (CO₂) in Aqueous 1-Methyl Piperazine Solution