A thermodynamic framework to predict thermophysical properties that control pMDI aerosol generation

Journal article


Camm, J. and Versteeg, H. K. 2021. A thermodynamic framework to predict thermophysical properties that control pMDI aerosol generation. Respiratory Drug Delivery 2021. 1, pp. 27-34.
AuthorsCamm, J. and Versteeg, H. K.
Abstract

Activity coefficient models are introduced to provide a thermodynamic framework for simultaneously predicting multiple thermophysical properties of relevance to pressurized metered dose inhaler (pMDI) aerosol formation. The UNIFAC and UNIQUAC models are discussed in the context of calculation of saturated vapor pressure, surface tension and liquid viscosity using molecule and functional group interaction parameters. New interaction parameters are generated and presented for HFA134a/ethanol mixtures using experimental data for saturated vapor pressure, surface tension and viscosity. The UNIFAC model is shown to give adequate predictivity and can be used when no experimental data is available. Better predictions were obtained with the UNIQUAC model, which is most useful when high-quality measurement data are obtained. The use of these models for flexible thermophysical property prediction of low-global warming potential (GWP) formulations is discussed, with potential developments to improve model fits and better utilize the experimental data.

KeywordsPressurized metered dose inhalers (pMDIs); Thermophysical properties; Activity coefficients; Vapor pressure; Physically-based modeling; UNIFAC; UNIQUAC
Year2021
JournalRespiratory Drug Delivery 2021
Journal citation1, pp. 27-34
PublisherRDD Online
Official URLhttps://www.rddonline.com/rdd/article.php?id=0&sid=103&ArticleID=2774&return=1
Related URLhttps://www.rddonline.com/rdd/rdd.php?sid=103
Publication dates
Print04 May 2021
Publication process dates
AcceptedMar 2021
Deposited07 Jun 2021
Accepted author manuscript
License
File Access Level
Open
Output statusPublished
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https://repository.canterbury.ac.uk/item/8xy1y/a-thermodynamic-framework-to-predict-thermophysical-properties-that-control-pmdi-aerosol-generation

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