---
_id: '11385'
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.
author:
- first_name: Pascal
  full_name: Kosse, Pascal
  last_name: Kosse
- first_name: Tanja
  full_name: Hernández Rodriguez, Tanja
  id: '52466'
  last_name: Hernández Rodriguez
- first_name: Björn
  full_name: Frahm, Björn
  id: '45666'
  last_name: Frahm
- first_name: Manfred
  full_name: Lübken, Manfred
  last_name: Lübken
- first_name: Marc
  full_name: Wichern, Marc
  last_name: Wichern
citation:
  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>
  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>
  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.
  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>.'
  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'
  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.
  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>.'
  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>.
  short: P. Kosse, T. Hernández Rodriguez, B. Frahm, M. Lübken, M. Wichern, 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.'
  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.
date_created: 2024-04-26T06:52:48Z
date_updated: 2025-06-26T07:50:29Z
department:
- _id: DEP4000
doi: 10.1002/cite.202300082
external_id:
  isi:
  - '001073579300001'
intvolume: '        95'
isi: '1'
issue: '12'
keyword:
- Acid-base equilibria
- Carboxylic acids
- Dissociation constants
- pH calculation software
- Uncertainty assessment
language:
- iso: eng
page: 1960-1969
place: Weinheim
publication: Chemie Ingenieur Technik
publication_identifier:
  eissn:
  - 1522-2640
  issn:
  - 0009-286X
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: Validation and Uncertainty Assessment of a Software‐Integrated Workflow for
  pH Calculations
type: scientific_journal_article
user_id: '83781'
volume: 95
year: '2023'
...