Abstract
An alternative approach to 2-phenylethyl acetate production, reactive distillation process for 2-phenylethyl acetate production from 2-phenylethanol in the presence of an inert component, n-pentane, via esterification by acetic acid is presented. The main objectives of this work were shifting of the chemical equilibrium in favour of the desired product and achieving the required product purity. In the first step, graphical mapping methods were employed to evaluate reactive distillation applicability for 2-phenylethanol esterification. To describe the system phase equilibria, thermodynamic model NRTL-HOC was used. Process feasibility was evaluated using a boiling point analysis and residue curves maps, and the process operating window was estimated. Results show that the reactive distillation concept can be used for 2-phenylethyl acetate production as suitable product compositions without serious process limitations were predicted. Total equilibrium model (phase and chemical equilibria) was used for reactive distillation column calculations performed by the Aspen Plus software. Reactive distillation column parameters were calculated and optimised according to the design criteria. Finally, optimised reactive distillation column parameters were used for temperature and concentration profile evaluation. These results form a promising base for further steps in the design of 2-phenylethyl acetate production via reactive distillation.
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Abbreviations
- D :
-
Distillate
- f :
-
Feed-stage position
- F :
-
Feed
- K a :
-
Chemical equilibrium constant
- ṁ :
-
Mass flow (kg h−1)
- Δṅ :
-
Reactant consumption (kmol h−1)
- N :
-
Number of theoretical stages including reboiler and condenser
- N R :
-
Number of reactive stages
- P :
-
Total pressure (kPa)
- \(\dot{Q}_{{\text{C}}}\) :
-
Condenser duty (kW)
- \(\dot{Q}_{{\text{W}}}\) :
-
Reboiler duty (kW)
- R :
-
Reflux ratio
- t :
-
Temperature (°C)
- t b :
-
Boiling temperature at atmospheric pressure (°C)
- w :
-
Mass fraction
- W :
-
Distillation bottom product
- x :
-
Mole fraction in the liquid phase
- X :
-
Conversion
- y :
-
Mole fraction in the vapour phase
- AA:
-
Acetic acid
- b :
-
Boiling
- C :
-
Condenser
- C5 :
-
n-Pentane
- F:
-
Feed
- H2O:
-
Water
- PE:
-
2-Phenylethanol
- PEA:
-
2-Phenylethyl acetate
- W :
-
Reboiler
- AA:
-
Acetic acid
- C5 :
-
n-Pentane
- EQ-KIN:
-
Equilibrium stage model with reaction kinetics
- HOC:
-
Hayden–O'Connell equation of state
- LL:
-
Liquid–liquid
- MBSE:
-
Bioreactor-membrane based solvent extraction
- NEQ:
-
Non-equilibrium stage model with effective diffusion coefficients
- NEQ-MS:
-
Non-equilibrium stage model applying Maxwell–Stephan equations
- NRTL:
-
Non-random two liquids
- PE:
-
2-Phenylethanol
- PEA:
-
2-Phenylethyl acetate
- RD:
-
Reactive distillation
- RK:
-
Redlich–Kwong equation of state
- TEQ:
-
Total equilibrium stage model
- VL:
-
Vapour–liquid
- VLE:
-
Vapour–liquid-phase equilibria
- VLL:
-
Vapour–liquid–liquid
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Acknowledgements
This work was supported by the Slovak Scientific Agency, Grant no. VEGA 1/0659/18; the Slovak Research and Development Agency under contract No. APVV-16-0111 and by the Slovak Research and Development Agency under contract No. APVV-18-0134.
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Šulgan, B., Labovská, Z. & Markoš, J. Production of 2-phenylethyl acetate via reactive distillation. Chem. Pap. 74, 2341–2356 (2020). https://doi.org/10.1007/s11696-020-01082-9
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DOI: https://doi.org/10.1007/s11696-020-01082-9