************OWARI COMPLEX SEMINAR LXVII************

Title：Computational Design for Sugar Alcohol 
       Series as Phase Change Material

Speaker：Taichi Inagaki

Affiliation：National Institute of Advanced 
             Industrial Science and Technology

Date：Thu. Apr 28th, 1:30 pm (Almost one hour)

Place：4th Lecture Room (1F)
Graduate School of Information Science

Abstract： Thermal storage technology enables us 
to preserve, release, and control thermal energy, 
and is useful for the reuse of a huge amount of 
waste heat. Thermal storage materials are 
generally classified into sensible heat, latent 
heat, and chemical storage materials. In terms of 
the balance between large thermal storage density 
and practical utility, latent heat storage 
materials (or phase change materials: PCMs), 
which treat thermal energy by taking advantage of 
phase transitions, are supposed to be particularly 
useful. The development of high performance PCMs 
is in high demand for widespread applications in 
energy-saving societies. Recently, computational 
approaches have become more and more essential 
for various material developments. In this talk, 
I will present our study on development of new 
PCMs using a computational chemistry approach. 
Materials targeted in this study are sugar 
alcohol series which are known to have large 
thermal storage density. First, I will show the 
result of analyses of thermophysical properties 
of natural sugar alcohols and propose a strategy 
derived from the analyses for the molecular 
design. I will then show the construction of 
non-natural sugar alcohols in accordance with 
this strategy and the computational results of 
their thermal storage densities.
Finally, I will discuss the future potential of 
non-natural sugar alcohols as new PCMs.

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