[{"status":"public","user_id":"83781","year":"2023","department":[{"_id":"DEP4000"}],"abstract":[{"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.","lang":"eng"}],"page":"1960-1969","keyword":["Acid-base equilibria","Carboxylic acids","Dissociation constants","pH calculation software","Uncertainty assessment"],"publisher":"Wiley","type":"scientific_journal_article","date_updated":"2025-06-26T07:50:29Z","doi":"10.1002/cite.202300082","external_id":{"isi":["001073579300001"]},"quality_controlled":"1","issue":"12","publication":"Chemie Ingenieur Technik","_id":"11385","place":"Weinheim","citation":{"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.","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.","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>, .","short":"P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, Chemie Ingenieur Technik 95 (2023) 1960–1969.","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>","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>.","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.","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>","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>.","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>.","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.","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"},"language":[{"iso":"eng"}],"date_created":"2024-04-26T06:52:48Z","volume":95,"publication_status":"published","isi":"1","author":[{"last_name":"Kosse","full_name":"Kosse, Pascal","first_name":"Pascal"},{"first_name":"Tanja","full_name":"Hernández Rodriguez, Tanja","last_name":"Hernández Rodriguez","id":"52466"},{"full_name":"Frahm, Björn","last_name":"Frahm","id":"45666","first_name":"Björn"},{"last_name":"Lübken","full_name":"Lübken, Manfred","first_name":"Manfred"},{"first_name":"Marc","full_name":"Wichern, Marc","last_name":"Wichern"}],"intvolume":"        95","publication_identifier":{"issn":["0009-286X"],"eissn":["1522-2640"]},"title":"Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations"}]