Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation
In this work, diethyl carbonate (DEC) production from CO2 and ethanol, coming from the bioethanol plant, is studied using 2-cyanopyridine (2-CP) as a dehydrating agent and CeO2 as a catalyst. Aiming to integrate existing plants and applying the concept of circular economy, this work has the appeal o...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIDIC Servizi S.r.l.
2022-06-01
|
| Series: | Chemical Engineering Transactions |
| Online Access: | https://www.cetjournal.it/index.php/cet/article/view/12429 |
| _version_ | 1818549674866376704 |
|---|---|
| author | Victor Hugo S. Ramos Nahieh T. Miranda Betânia H. Lunelli Leonardo V. Fregolente Rubens Maciel Filho Maria Regina Wolf Maciel |
| author_facet | Victor Hugo S. Ramos Nahieh T. Miranda Betânia H. Lunelli Leonardo V. Fregolente Rubens Maciel Filho Maria Regina Wolf Maciel |
| author_sort | Victor Hugo S. Ramos |
| collection | DOAJ |
| description | In this work, diethyl carbonate (DEC) production from CO2 and ethanol, coming from the bioethanol plant, is studied using 2-cyanopyridine (2-CP) as a dehydrating agent and CeO2 as a catalyst. Aiming to integrate existing plants and applying the concept of circular economy, this work has the appeal of not emitting carbon dioxide and valuing renewable carbon in the production of diethyl carbonate, a compound with high added value that can be applied as lithium battery electrolyte and as an intermediate in obtaining ketones, tertiary alcohols, and heterocyclic components. The DEC production proposed in this work was simulated via Aspen Plus V10 software. The reaction system is composed of the following reagents: carbon dioxide (CO2), ethanol (EtOH), diethyl carbonate (DEC), water (H2O), 2-cyanopyridine (2-CP), picolinamide (2-PA), ethyl picolinimidate (EPI), ethyl picolinate (EP), ammonia (NH3), and ethyl carbamate (EC). The mixture properties were calculated using the Non-Random-Two-Liquid (NRTL) method. The reaction mixture composition used was 10 kmol/h of ethanol, 15 kmol/h of CO2, and 5 kmol/h of 2-CP. The reactor was simulated as a multi-tubular isothermal plug flow reactor (PFR). The kinetic reactions were modeled using power law equations. The effect of reactor operating temperature (range 130–150 °C) and reactor dimensions on ethanol conversion was studied. At 50 atm and 130 °C, 4.01 kmol/h of DEC was obtained at the output stream of the reactor, corresponding to 11.37 t/day with an ethanol conversion of 82.85 %. From the open literature, this is the first work that the DEC production from ethanol and CO2 is simulated in a multi-tubular reactor. |
| first_indexed | 2024-12-12T08:36:26Z |
| format | Article |
| id | doaj.art-e46f8670254848d1b4162487da4837b2 |
| institution | Directory Open Access Journal |
| issn | 2283-9216 |
| language | English |
| last_indexed | 2024-12-12T08:36:26Z |
| publishDate | 2022-06-01 |
| publisher | AIDIC Servizi S.r.l. |
| record_format | Article |
| series | Chemical Engineering Transactions |
| spelling | doaj.art-e46f8670254848d1b4162487da4837b22022-12-22T00:30:55ZengAIDIC Servizi S.r.l.Chemical Engineering Transactions2283-92162022-06-019210.3303/CET2292058Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus SimulationVictor Hugo S. RamosNahieh T. MirandaBetânia H. LunelliLeonardo V. FregolenteRubens Maciel FilhoMaria Regina Wolf MacielIn this work, diethyl carbonate (DEC) production from CO2 and ethanol, coming from the bioethanol plant, is studied using 2-cyanopyridine (2-CP) as a dehydrating agent and CeO2 as a catalyst. Aiming to integrate existing plants and applying the concept of circular economy, this work has the appeal of not emitting carbon dioxide and valuing renewable carbon in the production of diethyl carbonate, a compound with high added value that can be applied as lithium battery electrolyte and as an intermediate in obtaining ketones, tertiary alcohols, and heterocyclic components. The DEC production proposed in this work was simulated via Aspen Plus V10 software. The reaction system is composed of the following reagents: carbon dioxide (CO2), ethanol (EtOH), diethyl carbonate (DEC), water (H2O), 2-cyanopyridine (2-CP), picolinamide (2-PA), ethyl picolinimidate (EPI), ethyl picolinate (EP), ammonia (NH3), and ethyl carbamate (EC). The mixture properties were calculated using the Non-Random-Two-Liquid (NRTL) method. The reaction mixture composition used was 10 kmol/h of ethanol, 15 kmol/h of CO2, and 5 kmol/h of 2-CP. The reactor was simulated as a multi-tubular isothermal plug flow reactor (PFR). The kinetic reactions were modeled using power law equations. The effect of reactor operating temperature (range 130–150 °C) and reactor dimensions on ethanol conversion was studied. At 50 atm and 130 °C, 4.01 kmol/h of DEC was obtained at the output stream of the reactor, corresponding to 11.37 t/day with an ethanol conversion of 82.85 %. From the open literature, this is the first work that the DEC production from ethanol and CO2 is simulated in a multi-tubular reactor.https://www.cetjournal.it/index.php/cet/article/view/12429 |
| spellingShingle | Victor Hugo S. Ramos Nahieh T. Miranda Betânia H. Lunelli Leonardo V. Fregolente Rubens Maciel Filho Maria Regina Wolf Maciel Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation Chemical Engineering Transactions |
| title | Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation |
| title_full | Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation |
| title_fullStr | Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation |
| title_full_unstemmed | Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation |
| title_short | Diethyl Carbonate Production from CO2 and Ethanol in an Isothermal Pfr via Aspen Plus Simulation |
| title_sort | diethyl carbonate production from co2 and ethanol in an isothermal pfr via aspen plus simulation |
| url | https://www.cetjournal.it/index.php/cet/article/view/12429 |
| work_keys_str_mv | AT victorhugosramos diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation AT nahiehtmiranda diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation AT betaniahlunelli diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation AT leonardovfregolente diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation AT rubensmacielfilho diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation AT mariareginawolfmaciel diethylcarbonateproductionfromco2andethanolinanisothermalpfrviaaspenplussimulation |