Search for functions that model temperature dependencies of internal pressure of associated liquids

• Published in: Journal of molecular liquids Vol. 319; p. 114199
• Main Authors: Kartsev, V.N., Shtykov, S.N., Pankin, K.E.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.12.2020
• Subjects: Diols; Internal pressure; Monoethanolamine; Morse and Rydberg functions; N-alcohols; Simulation; Temperature coefficient; Monoethanolamine; Temperature coefficient; N-alcohols; Morse and Rydberg functions; Simulation; Diols; Internal pressure
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2020.114199

This article considers three-parameter Morse and Rydberg functions as models for temperature dependencies of internal pressure of n-alcohols (n-propanol, n-butanol, n-decanol) 10–90 °С temperature range, diols (ethylene glycol, 1,3-propanediol) and monoethanolamine within the 5–60 °С temperature range. The Morse function models temperature dependencies for objects under analysis with deviation within the thermodynamic calculation error of internal pressure. The Rydberg function successfully models temperature dependencies of n-butanol, n-decanol, diols and monoethanolamine, but not n-propanol. To better model temperature dependencies of n-propanol the article states a modified variant of the Rydberg function. •Temperature dependences of alcohols internal pressure within 10–90 °С were modeled.•Morse function recreates temperature dependencies of internal pressure for alcohols.•Temperature dependence for n-propanol is modeled by the modified Rydberg function.