Determination of the Structural Relaxation Enthalpy Using a Mathematical Approach |
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| Affiliation: | 1. Department of Biochemical and Chemical Engineering, Laboratory of Solids Process Engineering, Technical University Dortmund, Emil-Figge-Str. 68, Dortmund 44227, Germany;2. Department of Pharmaceutical Technologies, Merck Healthcare KGaA, Frankfurter Str. 250, Darmstadt 64293, Germany;1. Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong-gu, Daejeon 34114, Republic of Korea;2. Division of Chemical and Medical Metrology, Center for Bioanalysis, Korea Research Institute of Standards and Science, Daejeon 34113, Republic of Korea;1. Department of Chemical and Biochemical Engineering, University of Western Ontario, London, Ontario, Canada;2. Department of Anatomy & Cell Biology, London Regional Cancer Program, London Health Sciences Centre, London, Ontario, Canada;3. Department of Anatomy & Cell Biology, Schulich School of Medicine & Dentistry, The University of Western University, London, Ontario, Canada;1. Sciences Pharmaceutiques, Ecole Doctorale des Sciences et Technologie (EDST), Laboratoire de Valorisation des Ressources Naturelles et Produits de Santé (VRNPS), Université Libanaise, Beyrouth, Lebanon;2. Laboratoire de Pharmacie Galénique et Génie Pharmaceutique, Institut Charles Gerhardt, UMR 5253, Equipe MACS, UFR Sciences Pharmaceutiques et Biologiques, Université de Montpellier, France;3. Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Institut Charles Gerhardt, UMR 5253, EPHE, PSL, Equipe MACS, Ecole Nationale Supérieure de Chimie, Université de Montpellier, Montpellier, France;1. SLT Institute of Pharmaceutical Sciences, Guru Ghasidas Vishwavidyalaya, Bilaspur, Chhattisgarh 495009, India;2. National UGC Centre of Excellence in NanoBiomedical Applications, Panjab University, Chandigarh 160014, India |
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| Abstract: | Structural relaxation is a well-known phenomenon in amorphous materials such as amorphous solid dispersions. It is generally understood as a measure for molecular mobility and has been shown to impact certain material properties such as the dissolution rate. Several quantification methods to evaluate structural relaxation using differential scanning calorimetry have been proposed in the past, but all approaches exhibit disadvantages. In this work, a mathematical model was developed and fitted to calorimetric data enabling the analysis of the structural relaxation enthalpy by separating the structural relaxation peak from the underlying glass transition. The proposed method was validated using a parameter sensitivity analysis. Differently stressed amorphous samples were analyzed applying the new model and the results were compared to commonly applied quantification methods in literature. The proposed method showed high robustness and accuracy and overcame the observed disadvantages of the established methods. The heating rate dependence of the calculated structural relaxation enthalpy was in accordance with theoretical considerations of previous studies, supporting the validity of the results. Thus, the proposed model is suitable to accurately quantify the degree of structural relaxation and should be a valuable tool for further investigations regarding the impact of structural relaxation on material properties. |
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| Keywords: | differential scanning calorimetry (DSC) amorphous solid dispersion (ASD) glass transition amorphism mathematical model physical characterization polymer |
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