Production Of Diethyl Carbonate Research Articles

Analysis and Simulation of Diethyl Carbonate Synthesis via CO2 and Ethanol Conversion

Objective: The objective of this study is to analyze and simulate the synthesis of diethyl carbonate (DEC) from the conversion of carbon dioxide and ethanol. The focus is on evaluating the best operating conditions, such as temperature and pressure, using the Aspen Plus software for process simulation. In addition, the study seeks to compare the results obtained with data from the literature and validate the simulation through previous studies. Methodology: To achieve the objective, thermodynamic models were used, such as the NRTL for the liquid phase and the Peng-Robinson equation state model for the vapor phase. The reactor chosen for the simulation was of the PFR type, and the catalyst used was cerium dioxide. Kinetic parameters and reactions were based on previous studies. The simulation was performed by varying the temperature and pressure of the system, feeding the data into the Aspen Plus software. Results and Conclusion: The simulation results indicated a maximum DEC production of 4.268 kmol/h, obtained at a temperature of 165°C and pressures of 150, 200 and 250 bar. Ethanol conversion reached 90.58% under these conditions. It was found that atmospheric pressure is not suitable for the reaction to occur. Comparison with previous studies and simulation validation showed satisfactory agreement. Phase analysis along the reactor revealed significant changes in the phase diagram as the reaction progressed. In short, this study contributes to the understanding of the DEC synthesis, highlighting the ideal operational conditions for its sustainable production. Originality/Value: This study focuses on the production of diethyl carbonate (DEC). It offers an original approach by analyzing the best operating conditions for the synthesis of DEC from carbon dioxide and ethanol. The results obtained demonstrate a maximum production of DEC and a high conversion of ethanol, contributing to the development of sustainable processes and the replacement of toxic compounds with environmentally friendly alternatives. This research is of significant value in expanding existing knowledge about ECD production and its potential impact on the industry.

Optimal design, intelligent fuzzy logic and model predictive control for high-purity ethyl-methyl carbonate and diethyl carbonate production using reactive dividing wall column

Methyl carbonate (EMC) and Diethyl carbonate (DEC), as excellent solvents for lithium-ion electrolytes, are synthesized by transesterification, and consecutive reaction seriously complicate optimization and control issues. Process synthesis, parameters optimization and advanced control are crucial points that should be addressed for this ill-conditioned and highly nonlinear system, which is the motivation and novelty of present work. With single-objective and multi-objective genetic algorithm, intensified processes for EMC and DEC production were optimized respectively with heterogeneous catalyst. And reactive dividing wall column achieved 23% and 13% total annualized cost reductions compared with reactive distillation for two target carbonates. Based on optimal steady-state solution, intelligent fuzzy logic and model predictive control of EMC and DEC production is conducted to clarify their respective strengths in intensified process with consecutive reaction. Sequential optimization for parameters of FLC was carried out with Integral of Squared Error (ISE) as objective. Finally, control performance of FLC and LPMC are compared with that under PID control, and results show that overshoot and transition time under FLC and LMPC are obviously mitigated, along with evident reduction in ISE.

Production of diethyl carbonate from ethylene carbonate and ethanol over supported fluoro-perovskite catalysts

The KCaF3/C (K-Ca(A)) catalyst was shown to be effective as heterogeneous basic catalysts for the transesterification of ethylene carbonate (EC) and ethanol among fluoro-perovskite (XYF3)/C (X=K, Cs, Y=Mg, Ca) catalysts. Although the KMgF3/C (K-Mg (A)) catalyst exhibited the highest catalytic activity among the XYF3/C catalysts studied, the potassium leaching was observed on K-Mg (A). CO2 temperature programmed desorption (TPD) revealed that the superior catalytic activity of the XYF3/C was due to its strong basic sites. CO2-TPD and XPS measurements indicated that strong basic sites are generated by an increase in the electron density of fluorine.

Enhanced yields of diethyl carbonate via one-pot synthesis from ethanol, carbon dioxide and butylene oxide over cerium (IV) oxide

There is a considerable industrial interest towards short-chain dialkylcarbonate production technologies due to their attractive properties and apparent commercial applications. Over the years, dimethyl carbonate (DMC), in contrast to diethyl carbonate (DEC), was mainly explored in seeking novel synthesis ideas in academic investigations. Therefore, this work has been devoted to the synthesis of diethyl carbonate. The preliminary results showed that the formation of DEC via direct route starting from ethanol and carbon dioxide (CO 2) is limited by the reaction equilibrium and therefore thermodynamics of the reaction has been estimated. Consecutively, butylene oxide was introduced to the reaction system as a dehydrating agent in order to overcome thermodynamic constrains and shift the equilibrium towards diethyl carbonate production. The underlying reason for choosing a longer chain epoxide (i.e. butyl instead of e.g. propyl) was the acute toxicity of short-chain epoxides. A 9-fold enhancement in DEC yield compared to the method without any water removal was achieved over cerium (IV) oxide (CeO 2) in the presence of butylene oxide at 180 °C and 9 MPa of total final pressure unequivocally indicating that butylene oxide is an efficient chemical water trap. The highest obtained yield of diethyl carbonate was 2.5 mmol, corresponding to ethanol conversion of 15.6% and selectivity to DEC 10% on ethanol basis. Moreover, kinetic studies were conducted facilitating understanding of the reaction pathway and influence of various parameters on the reaction.

Synthesis of diethyl carbonate by catalytic alcoholysis of urea

The production of diethyl carbonate (DEC) from urea and ethanol was investigated in a batch process. The catalytic activities of many metal oxides were evaluated, the influences of various operation conditions on the DEC yield were explored, and the catalytic mechanism was also analyzed. Among the tested catalysts, ZnO showed the best catalytic activity toward DEC synthesis. The optimum reaction conditions were as follows: ethanol/urea molar ratio of 10, catalyst concentration of 6%, reaction temperature of 463 K, reaction time of 5 h and the reaction pressure of 2.5 MPa, respectively. The highest DEC yield was 14.2%. The reaction of producing N-ethyl ethyl carbamate (N-EEC) was the main side reaction in this process, which consumed both ethyl carbamate and DEC. It is necessary to remove DEC from the reactor as quickly as possible.

Production of diethyl carbonate from ethanol and carbon monoxide over a heterogeneous catalytic flow reactor

Diethyl carbonate (DEC) is a candidate for use as an oxygen-containing additive in gasoline and diesel fuel to diminish pollutant emissions. The synthesis of DEC by the oxidative carbonylation of ethanol in the gas phase over heterogeneous CuCl 2/PdCl 2 catalysts supported on activated carbon (AC) has been investigated using a laboratory-scale continuous flow reactor with online GC/MS. Influences of various reaction conditions and catalyst pretreatment on the DEC yield and selectivity have been tested. Yield of DEC at 150 °C reached a maximum of 12.5 wt.% and was found to increase with an increase of residence time, reaction temperature, and reaction pressure as expected. The relationship between CO flow rate and production of DEC showed three distinct regions of DEC production. A by-product, diethoxymethane (DEM), was formed when ethanol was introduced in stoichiometric excess. Catalyst pretreated with KOH presented the best catalytic performance, and all metal hydroxides tested enhanced the yield of and selectivity for DEC simultaneously. However, the CuCl 2/PdCl 2/AC–KOH catalyst with a higher OH/Cu mole ratio than 2.0 showed an even lower DEC yield than that found using a CuCl 2/PdCl 2/AC catalyst without KOH.

Production of Diethyl Carbonate from Ethanol and Carbon Monoxide over a Heterogeneous Catalyst

Diethyl carbonate (DEC) has been produced by the oxidative carbonylation of ethanol in the gas phase over a heterogeneous CuCl2/PdCl2 catalyst supported on activated carbon. Yields of DEC with this catalyst are approximately 10 wt % with the byproducts diethoxymethane, ethyl formate, and acetaldehyde also formed in significantly lower yields. Treatment of the catalyst immediately after preparation with potassium hydroxide enhances the production of DEC almost 2-fold without increasing the amount of byproducts formed. The reactions that form DEC and the byproducts occur in a parallel, rather than a sequential, manner indicating that it should be possible to identify a catalyst which is more selective for DEC.