FT infrared spectrometer was used to obtain a series of infrared spectra at various temperatures of pentaerythritol(PE)、pentaglycerine(PG)、neopentylglycol(NPG) and their binary mixtures.The shifts of -OH absorption ...FT infrared spectrometer was used to obtain a series of infrared spectra at various temperatures of pentaerythritol(PE)、pentaglycerine(PG)、neopentylglycol(NPG) and their binary mixtures.The shifts of -OH absorption peak reveal the solid solid phase transition mechanisms and the connection of wave number shifts with temperature and enthalpies of phase transition.The solid solid phase transitions of the three polyols and their binary mixtures are known to transform from a low symmetric layered crystal structure to a highly symmetric face centered cubic structure.Experimental results support a mechanism which involves reversible breaking of nearest neighbor hydrogen resonance bonds in the molecular crystals at the transformation temperature.Infrared spectra show reversible increase in the wave number of the absorption peak of -OH groups with reversible breaking of the hydrogen bonds.This is in agreement with the experimental results of X ray diffraction and thermal analysis.展开更多
Algorithm of the minimum total vapor capacity of batch distillation of ideal binary mixture under total reflux and top accumulation and ideal operation condition is developed.A function f(x D) [equation(7)]is set up a...Algorithm of the minimum total vapor capacity of batch distillation of ideal binary mixture under total reflux and top accumulation and ideal operation condition is developed.A function f(x D) [equation(7)]is set up and transformed into g(x D)[equation(10)]in order to determine that the instantaneous constant region is on the top(or in bottom).For designed separation task,the method for determining the interval of x D in which the instantaneous constant region is on the top(or in bottom)and the equations for calculating minimum total vapor capacity are derived.展开更多
采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净...采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净物计算与专用状态方程进行对比,VTSRK方程比SRK方程显著改善了液相密度表征效果。对混合物的密度计算结果与实验数据进行对比,对于R1234yf+CO_2二元混合体系方程与实验数据相对均方根偏差为1.17%,对于R1234ze(E)+CO_2二元混合体系相对均方根偏差为0.82%。结果显示,采用温度相关比容平移项的VTSRK方程应用于R1234yf和R1234ze(E)纯流体以及R1234yf+CO_2和R1234ze(E)+CO_2密度性质计算,可获得较高精度。展开更多
文摘FT infrared spectrometer was used to obtain a series of infrared spectra at various temperatures of pentaerythritol(PE)、pentaglycerine(PG)、neopentylglycol(NPG) and their binary mixtures.The shifts of -OH absorption peak reveal the solid solid phase transition mechanisms and the connection of wave number shifts with temperature and enthalpies of phase transition.The solid solid phase transitions of the three polyols and their binary mixtures are known to transform from a low symmetric layered crystal structure to a highly symmetric face centered cubic structure.Experimental results support a mechanism which involves reversible breaking of nearest neighbor hydrogen resonance bonds in the molecular crystals at the transformation temperature.Infrared spectra show reversible increase in the wave number of the absorption peak of -OH groups with reversible breaking of the hydrogen bonds.This is in agreement with the experimental results of X ray diffraction and thermal analysis.
文摘Algorithm of the minimum total vapor capacity of batch distillation of ideal binary mixture under total reflux and top accumulation and ideal operation condition is developed.A function f(x D) [equation(7)]is set up and transformed into g(x D)[equation(10)]in order to determine that the instantaneous constant region is on the top(or in bottom).For designed separation task,the method for determining the interval of x D in which the instantaneous constant region is on the top(or in bottom)and the equations for calculating minimum total vapor capacity are derived.
文摘采用温度相关比容平移项的比容平移Soave-Redlich-Kwong(VTSRK)方程计算新工质R1234yf和R1234ze(E)的热力学性质以及两种物质与CO_2的二元混合物性质,混合物计算采用van der Waals混合规则,二元交互作用系数由密度数据拟合得到。对纯净物计算与专用状态方程进行对比,VTSRK方程比SRK方程显著改善了液相密度表征效果。对混合物的密度计算结果与实验数据进行对比,对于R1234yf+CO_2二元混合体系方程与实验数据相对均方根偏差为1.17%,对于R1234ze(E)+CO_2二元混合体系相对均方根偏差为0.82%。结果显示,采用温度相关比容平移项的VTSRK方程应用于R1234yf和R1234ze(E)纯流体以及R1234yf+CO_2和R1234ze(E)+CO_2密度性质计算,可获得较高精度。
