关键词: 玻璃化, 低温保存, 热科学;氢键

Abstract:

For the purpose of understanding the life characteristics of hydrogen bonds of DMSO aqueous solution during vitrification, molecular simulations were carried to calculate hydrogen bonds for 70% DMSO aqueous solution cooled with two cooling rates, 1×107 K·s-1 and 1×1012 K·s-1.The life distribution of hydrogen bond was calculated.As temperature decreases, following results are obtained.(Ⅰ)The life distributions of the system, DMSOH2O and H2OH2O hydrogen bonds all oscillate in higher magnitude.(Ⅱ)The life distribution of DMSOH2O hydrogen bonds is greater than that of H2OH2O when time >3 ps.(Ⅲ)The life distributes in a manner similar to power or exponential functions in which independent variable is multiplied by a negative factor.(Ⅳ)The average life of DMSOH2O hydrogen bonds is longer than that of H2OH2O.(Ⅴ)The vibration amplitudes of life distributions of the system, DMSOH2O and H2OH2O hydrogen bonds and their changes in the system cooled with higher cooling rate are lower than those with lower cooling rate

Key words: 玻璃化, 低温保存, 热科学;氢键