Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

Gharnati, Loubna; Musko, Nikolai E.; Jensen, Anker Degn; Kontogeorgis, Georgios M.; Grunwaldt, Jan‐Dierk

doi:10.1016/j.supflu.2013.04.008

Cited by 10 publications

(6 citation statements)

References 45 publications

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“…While the solubility of CO 2 in MeOH 2−35 and propylene carbonate (PC) 36−45 has been extensively studied, only limited data are available for the solubility of CO 2 in propylene oxide (PO). 46,47 Such reported data serve to benchmark our measurements.…”

Section: Introductionmentioning

confidence: 99%

“…Knowledge of CO 2 solubility in commercially available solvents and solvent mixtures used in the synthesis of these products is essential for reliable interpretation of the kinetics of either CO 2 –liquid or CO 2 –liquid–solid reaction systems associated with chemical transformations. While the solubility of CO 2 in MeOH − and propylene carbonate (PC) − has been extensively studied, only limited data are available for the solubility of CO 2 in propylene oxide (PO). , Such reported data serve to benchmark our measurements.…”

Section: Introductionmentioning

confidence: 99%

“…Given that CO 2 is in the vicinity of its critical point ( T c = 31.1 °C; P c = 72.8 bar) at typical carboxylation reaction temperatures, some studies reported that phase transitions can affect reaction rates during the synthesis of PC from PO and CO 2 . − For example, reaction rates are lower in the single-phase supercritical region and higher in the subcritical biphasic region (i.e., in CO 2 -expanded media) wherein the reactant concentrations are higher . Therefore, reliable estimation of the volumetric expansion of reaction mixtures caused by CO 2 dissolution is necessary to reliably interpret the kinetic data.…”

Section: Introductionmentioning

confidence: 99%

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Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Bobba

Zhu

Snavely

et al. 2021

Ind. Eng. Chem. Res.

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The solubility of carbon dioxide (CO2) in pure solvents such as methanol, propylene carbonate (PC), propylene oxide (PO), and their mixtures was experimentally measured at different temperatures (348.2–368.2 K) and pressures (0.5–2.0 MPa). These data are required for analysis of rate processes in carboxylation of PO to PC, an industrially important reaction for the manufacture of alkyl carbonates. At higher pressures, increasing volumetric expansion of the solvents by CO2 was noted for both binary and ternary mixtures of the solvents with CO2. The Soave–Redlich–Kwong (SRK) equation of state predictions of the expansions were generally satisfactory for systems involving PC, methanol, and CO2 (±2–7% AAPD from experimental values). However, the deviation (±5–17% AAPD) was generally greater in systems involving PO as a solvent. The experimental volumetric expansion data were used to accurately represent the liquid volumes in the estimation of CO2 mole fractions in neat solvents. Similar to volume expansion trends, the SRK predictions of CO2 mole fractions in PC and methanol (±3–9% AAPD from experimental values) were also satisfactory, while the deviation was greater for the predicted CO2 mole fraction in PO (±28–33% AAPD). For the ternary (PO–PC–CO2, PO–methanol–CO2, PC–methanol–CO2) and quaternary (PO–PC–methanol–CO2) mixtures, vapor–liquid equilibrium (VLE) data were generated using the AspenPlus SRK-EOS model via flash calculations based on composition of the liquid mixture charged and the experimentally measured CO2 uptake at equilibrium.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Bobba

Zhu

Snavely

et al. 2021

Ind. Eng. Chem. Res.

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“…In this way, CO2 have received much more attention to develop processes for its use as a potential carbon resource [3]. Therefore, CO2 has not only became into an important C1-carbon feedstock because it is an environmentally benign chemical and a safe alternative, but also because it has received the attention from an economical point of view due to its high purity availability at relatively low cost, and simplicity to handle it on an industrial scale (nontoxic and nonflammable) [4], [5].…”

Section: Introductionmentioning

confidence: 99%

“…Several research groups have pursued this path on developing both homogeneous and heterogeneous catalysts for CO2 fixation [2,4] and one of the successful examples is double metal cyanide (DMC) catalyst [1,7]. DMC catalyst generally referred to zinc hexacyanometalate prepared by reaction of zinc halide and hexacyanometalate salt [3] and a complexing agent in some cases [5].…”

Section: Introductionmentioning

confidence: 99%

Effect of Zn/Co initial preparation ratio in the activity of double metal cyanide catalysts for propylene oxide and CO2 copolymerization

Dios

Andrés-Iglesias

Fernández

et al. 2017

European Polymer Journal

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Zn-Co double metal cyanide (DMC) catalysts were prepared by varying the initial amounts of ZnCl2 to analyze the influence of method of preparation on the different copolymerization parameters. Synthesized catalysts were analyzed by different techniques, infrared spectrometry and inductively coupled plasma optical emission spectrometry, scanning electron microscopy, N2-physisorption and X-ray diffraction to determine whether characteristics affect the catalytic activity. The copolymers were characterized by infrared spectrometry and gel permeation chromatography. Highly active catalyst (2.5 kg polymer/g catalyst) was synthesized, low amounts of cyclic carbonate byproduct were produced (0.4 %) with medium crystallinity catalysts and considerable amounts of K + (0.4% to 1.0%wt).

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Mining industrial materials as heterogeneous catalyst for high value‐added cyclic carbonates production from CO₂

et al. 2022

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Chemical fixation of CO 2 and its utilization as C1 building block into fine chemicals are among key areas of research to mitigate greenhouse gas effect. The catalysts requirement to form cyclic organic carbonates by coupling reaction between CO 2 and epoxides is a well-stablished strategy for CO 2 fixation. In this work, this coupling reaction has been investigated using a catalytic system comprised by a selected industrial mining raw material, with potential valorization interest, and a commercial cocatalyst. Herein, industrial mining raw materials are explored as a renewable, recyclable, nontoxic, cheap, and ready-available catalysts for the transformation of CO 2 into highly valuable products such as cyclic carbonates. Initial experiments with the mining materials and alternative by-products of industrial valorization interest were carried out using propylene oxide (OP) as an initial selected oxirane. The most active raw materials were fully characterized to study their morphology, composition, and surface hydroxyl groups to determine active basic sites as novel heterogeneous base catalysts. The achieved yield of cyclic carbonate in these preliminary experiments was observed in the range of 37-85% for the different tested catalysts. In the case of the most active by-product used as catalyst (Sulfamag), propylene carbonate reached the yield of 85% as a higher result obtained under mild conditions. Sulfamag was selected to optimize reaction conditions, including the study of different cocatalysts. Moreover, coupling reactions between CO 2 and other aliphatic and aromatic epoxides were also performed efficiently for Sulfamag, showing yields between 71 and 91% and selectivity of 99% under mild conditions, demonstrating their potential as a renewable raw material solid-based heterogeneous catalyst in the synthesis of different cyclic carbonates from CO 2 and epoxides. Furthermore, Sulfamag showed high recycling efficiency in a test of four cycles and the deactivation of

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Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

Cited by 10 publications

References 45 publications

Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Effect of Zn/Co initial preparation ratio in the activity of double metal cyanide catalysts for propylene oxide and CO2 copolymerization

Mining industrial materials as heterogeneous catalyst for high value‐added cyclic carbonates production from CO₂

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Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

Cited by 10 publications

References 45 publications

Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Solubility of Carbon Dioxide in Carboxylation Reaction Mixtures

Effect of Zn/Co initial preparation ratio in the activity of double metal cyanide catalysts for propylene oxide and CO2 copolymerization

Mining industrial materials as heterogeneous catalyst for high value‐added cyclic carbonates production from CO2

Contact Info

Product

Resources

About

Mining industrial materials as heterogeneous catalyst for high value‐added cyclic carbonates production from CO₂