酷爱恐怖片的,第24届阿姆斯特丹奇幻电影节可别错过,来自全球不同类型的惊吓电影将汇聚其中。曾在上世纪七十年代风行国际,开创丧尸先河的恐怖电影导演George A.Romero,今年也挟着其08年惊栗新作《Diaryofthe Oead》来参展,务求将恐怖...酷爱恐怖片的,第24届阿姆斯特丹奇幻电影节可别错过,来自全球不同类型的惊吓电影将汇聚其中。曾在上世纪七十年代风行国际,开创丧尸先河的恐怖电影导演George A.Romero,今年也挟着其08年惊栗新作《Diaryofthe Oead》来参展,务求将恐怖气氛推至顶点。早在1979年,George A.Romero出品的第二部丧尸电影《Dawn of the dead》已在全球掀起一股丧尸热,一时间,大量类似作品乍现全球,因而被封为丧尸系列电影元祖。电影节的另一重头戏是亚洲动画,《Vexille-2077日本锁国》代表日本参展。展开更多
The adjustable parameters in the popular conductor-like screening model for real solvents(COSMO-RS)within the Amsterdam density functional(ADF)framework have been re-optimized to fit for the systems containing ionic l...The adjustable parameters in the popular conductor-like screening model for real solvents(COSMO-RS)within the Amsterdam density functional(ADF)framework have been re-optimized to fit for the systems containing ionic liquids(ILs).To get the optimal values of misfit energy constant a^0,hydrogen bond coefficient c_(hb)and effective contact surface area of a segment a_(eff),2283 activity coefficient data points at infinite dilution and 1433 CO_2 solubility data points exhaustively collected from references were used as training set.The average relative deviations(ARDs)of activity coefficients at infinite dilution and CO_2 solubility between experimental data and predicted values are 32.22%and17.61%,respectively,both of which are significantly lower than the original COSMO-RS versions.Predictions for other activity coefficients of solutes in ILs,solubility data of CO_2 in pure ILs and the binary mixtures of ILs at either high or low temperatures,and vapor–liquid equilibrium(VLE)for binary systems involving ILs have also been performed to demonstrate the validity of the parameterization of COSMO-RS model for ILs.The results showed that the predicted results by COSMO-RS model with the new optimized parameters are in much better agreement with experimental data than those by the original versions over a wide temperature and pressure range.The COSMO-RS model for ILs presented in this work improves the prediction accuracy of thermodynamic properties for the systems containing ILs,which is always highly desirable for general chemical engineers.展开更多
文摘酷爱恐怖片的,第24届阿姆斯特丹奇幻电影节可别错过,来自全球不同类型的惊吓电影将汇聚其中。曾在上世纪七十年代风行国际,开创丧尸先河的恐怖电影导演George A.Romero,今年也挟着其08年惊栗新作《Diaryofthe Oead》来参展,务求将恐怖气氛推至顶点。早在1979年,George A.Romero出品的第二部丧尸电影《Dawn of the dead》已在全球掀起一股丧尸热,一时间,大量类似作品乍现全球,因而被封为丧尸系列电影元祖。电影节的另一重头戏是亚洲动画,《Vexille-2077日本锁国》代表日本参展。
基金financially supported by the National Natural Science Foundation of China under Grants (Nos. 21476009, 21406007 and U1462104)
文摘The adjustable parameters in the popular conductor-like screening model for real solvents(COSMO-RS)within the Amsterdam density functional(ADF)framework have been re-optimized to fit for the systems containing ionic liquids(ILs).To get the optimal values of misfit energy constant a^0,hydrogen bond coefficient c_(hb)and effective contact surface area of a segment a_(eff),2283 activity coefficient data points at infinite dilution and 1433 CO_2 solubility data points exhaustively collected from references were used as training set.The average relative deviations(ARDs)of activity coefficients at infinite dilution and CO_2 solubility between experimental data and predicted values are 32.22%and17.61%,respectively,both of which are significantly lower than the original COSMO-RS versions.Predictions for other activity coefficients of solutes in ILs,solubility data of CO_2 in pure ILs and the binary mixtures of ILs at either high or low temperatures,and vapor–liquid equilibrium(VLE)for binary systems involving ILs have also been performed to demonstrate the validity of the parameterization of COSMO-RS model for ILs.The results showed that the predicted results by COSMO-RS model with the new optimized parameters are in much better agreement with experimental data than those by the original versions over a wide temperature and pressure range.The COSMO-RS model for ILs presented in this work improves the prediction accuracy of thermodynamic properties for the systems containing ILs,which is always highly desirable for general chemical engineers.
