Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst
<p dir="ltr">Dimethyl carbonate (DMC) has emerged as a promising candidate for sustainable chemical processes due to its remarkable versatility and low toxicity. From a green chemistry perspective, the direct synthesis of DMC has been considered the most promising route, as water is...
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| مؤلفون آخرون: | , , , , , , |
| منشور في: |
2024
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| _version_ | 1864513540925161472 |
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| author | G. Ibrahim (7601063) |
| author2 | A. Abdelbar (22155280) H. A. Choudhury (4427449) M. S. Challiwala (22155283) A. Prakash (2247199) K. Mondal (2610661) S. Solim (22155286) Nimir O. Elbashir (1850563) |
| author2_role | author author author author author author author |
| author_facet | G. Ibrahim (7601063) A. Abdelbar (22155280) H. A. Choudhury (4427449) M. S. Challiwala (22155283) A. Prakash (2247199) K. Mondal (2610661) S. Solim (22155286) Nimir O. Elbashir (1850563) |
| author_role | author |
| dc.creator.none.fl_str_mv | G. Ibrahim (7601063) A. Abdelbar (22155280) H. A. Choudhury (4427449) M. S. Challiwala (22155283) A. Prakash (2247199) K. Mondal (2610661) S. Solim (22155286) Nimir O. Elbashir (1850563) |
| dc.date.none.fl_str_mv | 2024-09-03T03:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1007/s11244-024-02003-w |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Experimental_Verification_of_Low-Pressure_Kinetics_Model_for_Direct_Synthesis_of_Dimethyl_Carbonate_Over_CeO_sub_2_sub_Catalyst/30023407 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Engineering Chemical engineering Environmental sciences Environmental management CO2 conversion Kinetics model CeO2-catalysts Direct DMC synthesis CO2Fix Sustainable processes Mean absolute percentage error |
| dc.title.none.fl_str_mv | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">Dimethyl carbonate (DMC) has emerged as a promising candidate for sustainable chemical processes due to its remarkable versatility and low toxicity. From a green chemistry perspective, the direct synthesis of DMC has been considered the most promising route, as water is the only byproduct generated in the reaction between CO<sub>2</sub> and methanol. However, this synthetic route has faced significant thermodynamic limitations, even at elevated pressure conditions. Therefore, a two-part study explored low-pressure synthesis of DMC via the direct route, and a low-pressure kinetic model for the CeO<sub>2</sub> catalyst was developed based on the results. Proposed Langmuir–Hinshelwood mechanisms were verified using experimental data generated in our labs. The investigation suggests that DMC formation in the direct synthetic route is a surface reaction of CO<sub>2</sub> and methanol on the catalyst. The kinetic model predictions closely aligned with experimental data, demonstrating a 17% mean absolute percentage error and indicating a high level of predictability. Additionally, a rigorous assessment was conducted on CO<sub>2</sub> fixations in DMC synthesis, quantifying CO<sub>2</sub> capture and its conversion into stable or high-value products, formally designated as CO<sub>2</sub> Fixation (CO2Fix). The CO<sub>2</sub>Fix analysis revealed that, at a conversion rate of 27%, the process can achieve a "net zero" state when operated at an approximate pressure of 30 bar, thereby supporting the viability of low-pressure synthesis. Increasing the conversion rate to levels exceeding 95% significantly enhances the CO<sub>2</sub>Fix metric, potentially surpassing 3.5 or higher.</p><h2>Other Information</h2><p dir="ltr">Published in: Topics in Catalysis<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1007/s11244-024-02003-w" target="_blank">https://dx.doi.org/10.1007/s11244-024-02003-w</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_3b459ce41684128d406aa054e303d4ff |
| identifier_str_mv | 10.1007/s11244-024-02003-w |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/30023407 |
| publishDate | 2024 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> CatalystG. Ibrahim (7601063)A. Abdelbar (22155280)H. A. Choudhury (4427449)M. S. Challiwala (22155283)A. Prakash (2247199)K. Mondal (2610661)S. Solim (22155286)Nimir O. Elbashir (1850563)EngineeringChemical engineeringEnvironmental sciencesEnvironmental managementCO2 conversionKinetics modelCeO2-catalystsDirect DMC synthesisCO2FixSustainable processesMean absolute percentage error<p dir="ltr">Dimethyl carbonate (DMC) has emerged as a promising candidate for sustainable chemical processes due to its remarkable versatility and low toxicity. From a green chemistry perspective, the direct synthesis of DMC has been considered the most promising route, as water is the only byproduct generated in the reaction between CO<sub>2</sub> and methanol. However, this synthetic route has faced significant thermodynamic limitations, even at elevated pressure conditions. Therefore, a two-part study explored low-pressure synthesis of DMC via the direct route, and a low-pressure kinetic model for the CeO<sub>2</sub> catalyst was developed based on the results. Proposed Langmuir–Hinshelwood mechanisms were verified using experimental data generated in our labs. The investigation suggests that DMC formation in the direct synthetic route is a surface reaction of CO<sub>2</sub> and methanol on the catalyst. The kinetic model predictions closely aligned with experimental data, demonstrating a 17% mean absolute percentage error and indicating a high level of predictability. Additionally, a rigorous assessment was conducted on CO<sub>2</sub> fixations in DMC synthesis, quantifying CO<sub>2</sub> capture and its conversion into stable or high-value products, formally designated as CO<sub>2</sub> Fixation (CO2Fix). The CO<sub>2</sub>Fix analysis revealed that, at a conversion rate of 27%, the process can achieve a "net zero" state when operated at an approximate pressure of 30 bar, thereby supporting the viability of low-pressure synthesis. Increasing the conversion rate to levels exceeding 95% significantly enhances the CO<sub>2</sub>Fix metric, potentially surpassing 3.5 or higher.</p><h2>Other Information</h2><p dir="ltr">Published in: Topics in Catalysis<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1007/s11244-024-02003-w" target="_blank">https://dx.doi.org/10.1007/s11244-024-02003-w</a></p>2024-09-03T03:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1007/s11244-024-02003-whttps://figshare.com/articles/journal_contribution/Experimental_Verification_of_Low-Pressure_Kinetics_Model_for_Direct_Synthesis_of_Dimethyl_Carbonate_Over_CeO_sub_2_sub_Catalyst/30023407CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/300234072024-09-03T03:00:00Z |
| spellingShingle | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst G. Ibrahim (7601063) Engineering Chemical engineering Environmental sciences Environmental management CO2 conversion Kinetics model CeO2-catalysts Direct DMC synthesis CO2Fix Sustainable processes Mean absolute percentage error |
| status_str | publishedVersion |
| title | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| title_full | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| title_fullStr | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| title_full_unstemmed | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| title_short | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| title_sort | Experimental Verification of Low-Pressure Kinetics Model for Direct Synthesis of Dimethyl Carbonate Over CeO<sub>2</sub> Catalyst |
| topic | Engineering Chemical engineering Environmental sciences Environmental management CO2 conversion Kinetics model CeO2-catalysts Direct DMC synthesis CO2Fix Sustainable processes Mean absolute percentage error |