Associate Professor, Department of Applied Chemistry and Biotechnology, Chiba University, Japan.

Speech Title: Structure-Property-Function Relationships of Environmentally Friendly Polymers
Abstract: A methodology based on ab initio molecular orbital calculations, NMR experiments, and the rotational isomeric state scheme (what we call, ab initio statistical mechanics) to predict conformational characteristics, crystal conformations, configurational properties, solubilities, and thermal properties of polymers and elucidate their structure-property relationships has been developed and applied to a variety of polymers with heteroatoms such as nitrogen, oxygen, silicon, phosphorus, sulfur, and selenium [1, 2]. The polymers investigated so far are polyethers, polythioethers, polyselenoethers, polyamines, polyphosphines, polysilanes, polyamides, polyesters, polythioesters, polythioamides, and so on [2]. A variety of weak attractive interactions due to the heteroatoms have been found to influence conformational characteristics, higher-order structures, physical properties, and functions of the polymers.
In our presentation, we will introduce the ab initio statistical mechanics and show its applications to the following environmentally friendly polymers: (renewable) poly(ethylene terephthalate) [3], poly(trimethylene terephthalate) [4,5], and poly(butylene terephthalate) [5]; (biodegradable) poly((R)-3-hydroxybutyrate) [6], poly(lactic acid) [7], poly(ethylene succinate), and poly(butylene succinate) [8]; (produced from carbon dioxide) poly(ethylene carbonate) and poly(propylene carbonate) [9]; (carbon dioxide absorbing) poly(ethylene imine) [10], poly(trimethylene imine) [11], and poly(N-methylethylene imine) [12].
References:
[1] For example, see, Y. Sasanuma, S. Asai, and R. Kumagai, Macromolecules, 2007, 40, 3488-3497.
[2] For the details, see our home page: http://www.sasanuma.org/
[3] Y. Sasanuma, Macromolecules, 2009, 42, 2854-2862.
[4] Y. Sasanuma and N. Suzuki, Macromolecules, 2009, 42, 7203-7212.
[5] Y. Sasanuma, Y. Wagai, N. Suzuki, and D. Abe, Polymer, 2013, 54, 3904-3913.
[6] Y. Sasanuma and S. Katsumata, Polym. J., 2013, 45, 727-737.
[7] Y. Sasanuma and D. Touge, Polymer, 2014, 55, 1901-1911.
[8] Y. Sasanuma, Y. Nonaka, and Y. Yamaguchi, Polymer, 2015, 56, 327-339.
[9] Y. Sasanuma and Y. Takahashi, in preparation.
[10] Y. Sasanuma, S. Hattori, S. Imazu, S. Ikeda, T. Kaizuka, T. Iijima, M. Sawanobori, M. A. Azam, R. V. Law, and J. H. G. Steinke, Macromolecules, 2004, 37, 9169-9183.
[11] Y. Sasanuma, F. Teramae, H. Yamashita, I. Hamano, and S. Hattori, Macromolecules, 2005, 38, 3519-3532.
[12] Y. Fukuda, D. Abe, Y. Tanaka, J. Uchida, N. Suzuki, T. Miyai, and Y. Sasanuma, Polym. J., 2016, 48, 1065-1072.