Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications
Water pollution caused by nitrogen and phosphorus compounds triggers algal blooms and poses challenges to aquatic organisms. Wastewater treatment ap plications represent critical areas where fundamental models of phosphorus equilibria, prevalent in municipal and reject water streams, are essential....
Saved in:
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Estonian Academy Publishers
2025-01-01
|
| Series: | Proceedings of the Estonian Academy of Sciences |
| Subjects: | |
| Online Access: | https://kirj.ee/wp-content/plugins/kirj/pub/proc-1-2025-15-22_20250115155219.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1823860779260051456 |
|---|---|
| author | Ivar Zekker Oleg Artemchuk Ergo Rikmann Kalev Uiga Laura Daija Faysal-Al Mamun Andrejs E. Krauklis Ruta Ozola-Davidane Taavo Tenno Toomas Tenno† |
| author_facet | Ivar Zekker Oleg Artemchuk Ergo Rikmann Kalev Uiga Laura Daija Faysal-Al Mamun Andrejs E. Krauklis Ruta Ozola-Davidane Taavo Tenno Toomas Tenno† |
| author_sort | Ivar Zekker |
| collection | DOAJ |
| description | Water pollution caused by nitrogen and phosphorus compounds triggers algal blooms and poses challenges to aquatic organisms. Wastewater treatment ap plications represent critical areas where fundamental models of phosphorus equilibria, prevalent in municipal and reject water streams, are essential. This paper focuses on studying the closed equilibrium system H2Oâ(CO2)WâCaCO3âNaH2PO4, elucidating the structural distribution of ions and mol ecules within this system. Utilizing the iteration method, we calculate pH, concentrations of formed ions and molecules, and proton transfer parameters based on a developed proton transfer model. Upon the initial formation of the equilibrium system H2Oâ(CO2)WâCaCO3, CO32â ions released from the dis solution of CaCO3 bind protons (Î[H+]CO32â) originating from the reversible dissociation of water (Î[H+]H2O) and H2CO3 (Î[H+]H2CO3). In the equilibrium system H2Oâ(CO2)WâCaCO3âNaH2PO4, at low initial CO2 concentrations (< 3.39 à 10â5 mmol·Lâ1), the majority of protons (Î[H+]H2PO4â) originate from the H2PO4â dissociation. Conversely, with increased initial CO2 con centrations, the dissociation of H2CO3 (Î[H+]H2CO3) becomes the primary proton source. Experimental validation confirms the developed modelâs accuracy. |
| format | Article |
| id | doaj-art-04ec47d5435345cc88008c64934d2744 |
| institution | Kabale University |
| issn | 1736-6046 1736-7530 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Estonian Academy Publishers |
| record_format | Article |
| series | Proceedings of the Estonian Academy of Sciences |
| spelling | doaj-art-04ec47d5435345cc88008c64934d27442025-02-10T10:10:04ZengEstonian Academy PublishersProceedings of the Estonian Academy of Sciences1736-60461736-75302025-01-017411522https://doi.org/10.3176/proc.2025.1.02https://doi.org/10.3176/proc.2025.1.02Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applicationsIvar Zekker0Oleg Artemchuk1Ergo Rikmann2Kalev Uiga3Laura Daija4Faysal-Al Mamun5Andrejs E. Krauklis6Ruta Ozola-Davidane7Taavo Tenno8Toomas Tenno†9Institute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14A, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaLaboratory of Advanced and Sustainable Engineering Materials, Department of Manufacturing and Civil Engineering (ASEMlab), Norwegian University of Science and Technology (NTNU), Building B, Teknologiveien 22, 2815 Gjøvik, Norway / Faculty of Geography and Earth Sciences, Department of Environmental Protection, University of Latvia, Jelgavas 1, LV-1004 Riga, LatviaFaculty of Geography and Earth Sciences, Department of Environmental Protection, University of Latvia, Jelgavas 1, LV-1004 Riga, LatviaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaInstitute of Chemistry, University of Tartu, Ravila 14a, 50411 Tartu, EstoniaWater pollution caused by nitrogen and phosphorus compounds triggers algal blooms and poses challenges to aquatic organisms. Wastewater treatment ap plications represent critical areas where fundamental models of phosphorus equilibria, prevalent in municipal and reject water streams, are essential. This paper focuses on studying the closed equilibrium system H2Oâ(CO2)WâCaCO3âNaH2PO4, elucidating the structural distribution of ions and mol ecules within this system. Utilizing the iteration method, we calculate pH, concentrations of formed ions and molecules, and proton transfer parameters based on a developed proton transfer model. Upon the initial formation of the equilibrium system H2Oâ(CO2)WâCaCO3, CO32â ions released from the dis solution of CaCO3 bind protons (Î[H+]CO32â) originating from the reversible dissociation of water (Î[H+]H2O) and H2CO3 (Î[H+]H2CO3). In the equilibrium system H2Oâ(CO2)WâCaCO3âNaH2PO4, at low initial CO2 concentrations (< 3.39 à 10â5 mmol·Lâ1), the majority of protons (Î[H+]H2PO4â) originate from the H2PO4â dissociation. Conversely, with increased initial CO2 con centrations, the dissociation of H2CO3 (Î[H+]H2CO3) becomes the primary proton source. Experimental validation confirms the developed modelâs accuracy.https://kirj.ee/wp-content/plugins/kirj/pub/proc-1-2025-15-22_20250115155219.pdfproton transfer modelequilibrium system of h2o–co2–caco3–nah2po4carbonate equilibriumphosphate equilibrium |
| spellingShingle | Ivar Zekker Oleg Artemchuk Ergo Rikmann Kalev Uiga Laura Daija Faysal-Al Mamun Andrejs E. Krauklis Ruta Ozola-Davidane Taavo Tenno Toomas Tenno† Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications Proceedings of the Estonian Academy of Sciences proton transfer model equilibrium system of h2o–co2–caco3–nah2po4 carbonate equilibrium phosphate equilibrium |
| title | Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications |
| title_full | Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications |
| title_fullStr | Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications |
| title_full_unstemmed | Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications |
| title_short | Modelling of the closed equilibrium system H2O–(CO2)W–CaCO3–NaH2PO4 for wastewater treatment applications |
| title_sort | modelling of the closed equilibrium system h2o co2 w caco3 nah2po4 for wastewater treatment applications |
| topic | proton transfer model equilibrium system of h2o–co2–caco3–nah2po4 carbonate equilibrium phosphate equilibrium |
| url | https://kirj.ee/wp-content/plugins/kirj/pub/proc-1-2025-15-22_20250115155219.pdf |
| work_keys_str_mv | AT ivarzekker modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT olegartemchuk modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT ergorikmann modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT kalevuiga modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT lauradaija modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT faysalalmamun modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT andrejsekrauklis modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT rutaozoladavidane modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT taavotenno modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications AT toomastenno modellingoftheclosedequilibriumsystemh2oco2wcaco3nah2po4forwastewatertreatmentapplications |