Dataset Information

Determining Thermal Conductivity of Small Molecule Amorphous Drugs with Modulated Differential Scanning Calorimetry and Vacuum Molding Sample Preparation.

ABSTRACT: Thermal conductivity is a material specific property, which influences many aspects of pharmaceutical development, such as processing, modelling, analysis, and the development of novel formulation approaches. We have presented a method to measure thermal conductivity of small molecule organic glasses, based on a vacuum molding sample preparation technique combined with modulated differential scanning calorimetry. The method is applied to the two amorphous model compounds indomethacin and celecoxib. The measured values of below 0.2 W/m °C indicate very low thermal conductivity of the amorphous compounds, within the range of organic liquids and low conducting polymers.

SUBMITTER: Karl M

PROVIDER: S-EPMC6955963 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Determining Thermal Conductivity of Small Molecule Amorphous Drugs with Modulated Differential Scanning Calorimetry and Vacuum Molding Sample Preparation.

Karl Maximilian M Rantanen Jukka J Rades Thomas T

Pharmaceutics 20191210 12

Thermal conductivity is a material specific property, which influences many aspects of pharmaceutical development, such as processing, modelling, analysis, and the development of novel formulation approaches. We have presented a method to measure thermal conductivity of small molecule organic glasses, based on a vacuum molding sample preparation technique combined with modulated differential scanning calorimetry. The method is applied to the two amorphous model compounds indomethacin and celecox ...[more]

PMID: 31835607

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Project description:Thermal conductivity measurements using Scanning Thermal Microscopy (SThM) usually involve heat transfer across the mechanical contact and liquid meniscus between the thermal probe and the sample. However, variations in contact conditions due to capillary effects at probe-sample contact and probe and sample wear due to mechanical contact interfere with accurate determination of the thermal conductivity. This paper presents measurements of thin film thermal conductivity using a SThM method employing a Wollaston probe in non-contact mode in synergy with detailed heat transfer analysis. In this technique, the thermal probe is scanned above the sample at a distance comparable with the mean free path of the ambient gas molecules. A Three-Dimensional Finite Element Model (3DFEM) that includes the specifics of the heat transfer between the sample and the probe in transition heat conduction regime was developed to predict the SThM probe thermal resistance and fit the thermal conductivity of the measured thin films. Proof-of-concept experimental in-plane thermal conductivity results for 240 nm and 46.6 nm Au films deposited on glass and silicon substrates were validated by experimental measurements of their electrical conductivity coupled with the Wiedemann-Franz law, with a discrepancy < 6.4%. Moreover, predictions based on a kinetic theory model for thin-film thermal conductivity agreed with the experimental results for the Au films with <6.6% discrepancy. To reduce the time and complexity of data analysis and facilitate experimental planning, an analytical model was also developed for the thermal transport between the Wollaston probe, ambient, and film-on-substrate samples. The accuracy of thin film thermal conductivity measurements using the analytical model was investigated using 3DFEM simulations. Fitted functions were developed for fast data analysis of thermal conductivity of thin films in the range of ∼100-600 W m-1 K-1 and thickness between ∼50-300 nm deposited on the two types of substrates investigated in this work, which yielded results with a discrepancy of 6-16.7% when compared to the Au films' thermal conductivity values.

Dataset Information

Determining Thermal Conductivity of Small Molecule Amorphous Drugs with Modulated Differential Scanning Calorimetry and Vacuum Molding Sample Preparation.

Publications

Determining Thermal Conductivity of Small Molecule Amorphous Drugs with Modulated Differential Scanning Calorimetry and Vacuum Molding Sample Preparation.

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