Prediction of Glass Transition Temperature of Glycerolwater as Cryoprotectant by Molecular Dynamic Simulation

Volume 12 Issue 2 November - January 2017

Research Paper

Prediction of Glass Transition Temperature of Glycerolwater as Cryoprotectant by Molecular Dynamic Simulation

Meghana Sundaresan*, Kailas L. Wasewar**

*-** Department of Chemical Engineering, Visvesvaraya National Institute of Technology (VNIT), Nagpur, India.

Sundaresan, M., and Wasewar, K.L., (2017). Prediction of Glass Transition Temperature of Glycerolwater as Cryoprotectant by Molecular Dynamic Simulation. i-manager’s Journal on Future Engineering and Technology, 12(2), 35-40.https://doi.org/10.26634/jfet.12.2.10374

Abstract

Cryobiology sets at the interface of physics and biology. In cryobiology, low temperature represents temperature below normal. The living things include human hypothermia and natural hibernation. Cryoprotectants are used to protect cells or whole tissues from freezing damage. 60% glycerol-water is used as one of the cryoprotectants. Glass transition temperature is one of the essential parameters of fundamental importance for cryopreservation by vitrification. In this present paper, glass transition temperature of 60% glycerol-water was determined using molecular dynamic simulation with density variation and cell volume variation. It was found to be 168 K and 166 K using density variation and cell volume approach, respectively. Further results were compared with available experimental results obtained by Differential Scanning Calorimetry (DSC) and Dynamic Mechanical Analyzer (DMA). Molecular dynamic simulation was slightly over predicted glass transition temperature for 60% glycerol-water cryoprotectant with maximum error of 2.7% as compared with available experimental results which are well acceptable.