[{"keyword":["Anaerobic Digestion Model No. 1 (ADM1)","Anaerobic technology","pH simulation","Uncertainty assessment","Visual Water"],"language":[{"iso":"eng"}],"publication":"Chemie Ingenieur Technik","publication_identifier":{"issn":["0009-286X"],"eissn":["1522-2640"]},"date_created":"2025-01-29T13:49:16Z","date_updated":"2025-06-25T12:42:09Z","author":[{"full_name":"Kosse, Pascal","first_name":"Pascal","last_name":"Kosse"},{"first_name":"Tanja","full_name":"Hernández Rodriguez, Tanja","last_name":"Hernández Rodriguez","id":"52466"},{"last_name":"Frahm","full_name":"Frahm, Björn","id":"45666","first_name":"Björn"},{"first_name":"Manfred","full_name":"Lübken, Manfred","last_name":"Lübken"},{"full_name":"Wichern, Marc","first_name":"Marc","last_name":"Wichern"}],"year":"2024","external_id":{"isi":["001169606600001"]},"status":"public","page":"528-534","title":"Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator","volume":96,"citation":{"ieee":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, and M. Wichern, “Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator,” <i>Chemie Ingenieur Technik</i>, vol. 96, no. 4, pp. 528–534, 2024, doi: <a href=\"https://doi.org/10.1002/cite.202300188\">10.1002/cite.202300188</a>.","ama":"Kosse P, Hernández Rodriguez T, Frahm B, Lübken M, Wichern M. Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. <i>Chemie Ingenieur Technik</i>. 2024;96(4):528-534. doi:<a href=\"https://doi.org/10.1002/cite.202300188\">10.1002/cite.202300188</a>","short":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, Chemie Ingenieur Technik 96 (2024) 528–534.","chicago-de":"Kosse, Pascal, Tanja Hernández Rodriguez, Björn Frahm, Manfred Lübken und Marc Wichern. 2024. Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. <i>Chemie Ingenieur Technik</i> 96, Nr. 4: 528–534. doi:<a href=\"https://doi.org/10.1002/cite.202300188\">10.1002/cite.202300188</a>, .","din1505-2-1":"<span style=\"font-variant:small-caps;\">Kosse, Pascal</span> ; <span style=\"font-variant:small-caps;\">Hernández Rodriguez, Tanja</span> ; <span style=\"font-variant:small-caps;\">Frahm, Björn</span> ; <span style=\"font-variant:small-caps;\">Lübken, Manfred</span> ; <span style=\"font-variant:small-caps;\">Wichern, Marc</span>: Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. In: <i>Chemie Ingenieur Technik</i> Bd. 96. Weinheim, Wiley (2024), Nr. 4, S. 528–534","apa":"Kosse, P., Hernández Rodriguez, T., Frahm, B., Lübken, M., &#38; Wichern, M. (2024). Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. <i>Chemie Ingenieur Technik</i>, <i>96</i>(4), 528–534. <a href=\"https://doi.org/10.1002/cite.202300188\">https://doi.org/10.1002/cite.202300188</a>","chicago":"Kosse, Pascal, Tanja Hernández Rodriguez, Björn Frahm, Manfred Lübken, and Marc Wichern. “Comparative Analysis of PH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator.” <i>Chemie Ingenieur Technik</i> 96, no. 4 (2024): 528–34. <a href=\"https://doi.org/10.1002/cite.202300188\">https://doi.org/10.1002/cite.202300188</a>.","van":"Kosse P, Hernández Rodriguez T, Frahm B, Lübken M, Wichern M. Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. Chemie Ingenieur Technik. 2024;96(4):528–34.","mla":"Kosse, Pascal, et al. “Comparative Analysis of PH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator.” <i>Chemie Ingenieur Technik</i>, vol. 96, no. 4, 2024, pp. 528–34, <a href=\"https://doi.org/10.1002/cite.202300188\">https://doi.org/10.1002/cite.202300188</a>.","bjps":"<b>Kosse P <i>et al.</i></b> (2024) Comparative Analysis of PH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator. <i>Chemie Ingenieur Technik</i> <b>96</b>, 528–534.","havard":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator, Chemie Ingenieur Technik. 96 (2024) 528–534.","ufg":"<b>Kosse, Pascal u. a.</b>: Comparative Analysis of pH Prediction Routines in ADM1 and a Specialized Water Chemistry Simulator, in: <i>Chemie Ingenieur Technik</i> 96 (2024), H. 4,  S. 528–534."},"place":"Weinheim","_id":"12402","doi":"10.1002/cite.202300188","type":"scientific_journal_article","user_id":"83781","intvolume":"        96","department":[{"_id":"DEP4000"}],"issue":"4","abstract":[{"text":"In anaerobic technology, pH values are crucial for targeted volatile fatty acid production. While pH dynamics can be modeled using the Anaerobic Digestion Model No. 1 (ADM1), simulation results may be biased. To address this issue, the pH prediction routine of Visual Water, a specialized water chemistry simulator, was validated. Unlike ADM1, it accounts for ionic strength and activities while also providing an automated uncertainty analysis. The analysis revealed Visual Water simulations to better fit measured pH data from acidic solutions in a miniaturized stirred-tank reactor.","lang":"eng"}],"publisher":"Wiley","quality_controlled":"1","isi":"1","publication_status":"published"},{"publication_status":"published","isi":"1","quality_controlled":"1","publisher":"Wiley","issue":"12","abstract":[{"lang":"eng","text":"Accurate pH calculations are essential for scientists across different disciplines to design optimal reactor solutions, but they can be arduous to calculate for complex acid-base solutions. Visual Water is a powerful software tool that provides accurate pH calculations with automated mathematical uncertainty analysis. Its workflow is presented and validated using acids and bases, showing a deviation of < 0.2 pH units between measured and calculated pH values. This highlights the software's reliability, which can help to simplify the work of non-experts in water chemistry."}],"department":[{"_id":"DEP4000"}],"intvolume":"        95","user_id":"83781","type":"scientific_journal_article","doi":"10.1002/cite.202300082","_id":"11385","place":"Weinheim","citation":{"apa":"Kosse, P., Hernández Rodriguez, T., Frahm, B., Lübken, M., &#38; Wichern, M. (2023). Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations. <i>Chemie Ingenieur Technik</i>, <i>95</i>(12), 1960–1969. <a href=\"https://doi.org/10.1002/cite.202300082\">https://doi.org/10.1002/cite.202300082</a>","chicago":"Kosse, Pascal, Tanja Hernández Rodriguez, Björn Frahm, Manfred Lübken, and Marc Wichern. “Validation and Uncertainty Assessment of a Software‐Integrated Workflow for PH Calculations.” <i>Chemie Ingenieur Technik</i> 95, no. 12 (2023): 1960–69. <a href=\"https://doi.org/10.1002/cite.202300082\">https://doi.org/10.1002/cite.202300082</a>.","van":"Kosse P, Hernández Rodriguez T, Frahm B, Lübken M, Wichern M. Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations. Chemie Ingenieur Technik. 2023;95(12):1960–9.","ufg":"<b>Kosse, Pascal u. a.</b>: Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations, in: <i>Chemie Ingenieur Technik</i> 95 (2023), H. 12,  S. 1960–1969.","mla":"Kosse, Pascal, et al. “Validation and Uncertainty Assessment of a Software‐Integrated Workflow for PH Calculations.” <i>Chemie Ingenieur Technik</i>, vol. 95, no. 12, 2023, pp. 1960–69, <a href=\"https://doi.org/10.1002/cite.202300082\">https://doi.org/10.1002/cite.202300082</a>.","havard":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations, Chemie Ingenieur Technik. 95 (2023) 1960–1969.","bjps":"<b>Kosse P <i>et al.</i></b> (2023) Validation and Uncertainty Assessment of a Software‐Integrated Workflow for PH Calculations. <i>Chemie Ingenieur Technik</i> <b>95</b>, 1960–1969.","short":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, Chemie Ingenieur Technik 95 (2023) 1960–1969.","chicago-de":"Kosse, Pascal, Tanja Hernández Rodriguez, Björn Frahm, Manfred Lübken und Marc Wichern. 2023. Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations. <i>Chemie Ingenieur Technik</i> 95, Nr. 12: 1960–1969. doi:<a href=\"https://doi.org/10.1002/cite.202300082\">10.1002/cite.202300082</a>, .","din1505-2-1":"<span style=\"font-variant:small-caps;\">Kosse, Pascal</span> ; <span style=\"font-variant:small-caps;\">Hernández Rodriguez, Tanja</span> ; <span style=\"font-variant:small-caps;\">Frahm, Björn</span> ; <span style=\"font-variant:small-caps;\">Lübken, Manfred</span> ; <span style=\"font-variant:small-caps;\">Wichern, Marc</span>: Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations. In: <i>Chemie Ingenieur Technik</i> Bd. 95. Weinheim, Wiley (2023), Nr. 12, S. 1960–1969","ieee":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, and M. Wichern, “Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations,” <i>Chemie Ingenieur Technik</i>, vol. 95, no. 12, pp. 1960–1969, 2023, doi: <a href=\"https://doi.org/10.1002/cite.202300082\">10.1002/cite.202300082</a>.","ama":"Kosse P, Hernández Rodriguez T, Frahm B, Lübken M, Wichern M. Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations. <i>Chemie Ingenieur Technik</i>. 2023;95(12):1960-1969. doi:<a href=\"https://doi.org/10.1002/cite.202300082\">10.1002/cite.202300082</a>"},"volume":95,"title":"Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations","page":"1960-1969","status":"public","external_id":{"isi":["001073579300001"]},"year":"2023","author":[{"full_name":"Kosse, Pascal","first_name":"Pascal","last_name":"Kosse"},{"id":"52466","first_name":"Tanja","last_name":"Hernández Rodriguez","full_name":"Hernández Rodriguez, Tanja"},{"id":"45666","first_name":"Björn","last_name":"Frahm","full_name":"Frahm, Björn"},{"last_name":"Lübken","first_name":"Manfred","full_name":"Lübken, Manfred"},{"first_name":"Marc","last_name":"Wichern","full_name":"Wichern, Marc"}],"date_updated":"2025-06-26T07:50:29Z","date_created":"2024-04-26T06:52:48Z","publication_identifier":{"issn":["0009-286X"],"eissn":["1522-2640"]},"publication":"Chemie Ingenieur Technik","language":[{"iso":"eng"}],"keyword":["Acid-base equilibria","Carboxylic acids","Dissociation constants","pH calculation software","Uncertainty assessment"]}]