The polymerization of n-hexyl isocyanate(HNCO) was carried out in the presence of a novel single initiator, rare earth tris(2,6-di-tert-butyl-4-methylphenolate)[Ln(OAr)_3]. The influences of reaction conditions such a...The polymerization of n-hexyl isocyanate(HNCO) was carried out in the presence of a novel single initiator, rare earth tris(2,6-di-tert-butyl-4-methylphenolate)[Ln(OAr)_3]. The influences of reaction conditions such as the monomer concentration, the polymerization temperature and time, and the types of solvents on the polymerization of HNCO were studied. Polymerizations of phenyl, i-propyl, p-tolyl, n-butyl and n-octyl isocyanates with La(OAr)_3 were also examined.展开更多
The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed...The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed on g PROMS platform to get easy access to the solutions of reactive extraction with phase splitting. Based on rigorous criteria, dynamic analysis from initial state to final equilibrium(e.g., evolution of phase composition, mass transfer rate and reaction rate) and optimal design of operating conditions(e.g., extractant dosage and feed molar ratio) are achieved. To illustrate the method, the esterification of n-hexyl acetate is taken as an example. The approach proves to be reliable in the analysis and optimization of the exemplified system, which provides instructive reference for further process design and simulation of reactive extraction.展开更多
Bis （methylcyclopentadienyl） lanthanide amido complex （MeCp） 2YbNPh2 （THF） reacted with n-hexyl isocyanate （n-nexylNCO） in 1：1 molar ratio to give {（MeC5H4）2Yb[OC（NPh2）N（n-hexyl）] }2（1）. Complex 1 was...Bis （methylcyclopentadienyl） lanthanide amido complex （MeCp） 2YbNPh2 （THF） reacted with n-hexyl isocyanate （n-nexylNCO） in 1：1 molar ratio to give {（MeC5H4）2Yb[OC（NPh2）N（n-hexyl）] }2（1）. Complex 1 was characterized by elemental analyses and X-ray diffraction. The title complex belongs to trigonal system and R-3 space group. Its unit cell parameters are a =2.9533（11） nm, b =2.9533（11） nm, c = 1.5873（6） nm, V= 11.9896（80） nm^3, Z =9, Dc= 1.562 mg·m^-3, μ = 3.536 mm^-1（Mo Kα）, F（000） =5670, R =0.034, Rw =0.064. It is a dimeric structure with two symmetrical bridged oxygen atoms. Nitrogen atom is coordinated to the ytterbium atom to form a tricyclic backbone. The coordination number of ytterbium is 9. The whole molecule shows central symmetry.展开更多
文摘The polymerization of n-hexyl isocyanate(HNCO) was carried out in the presence of a novel single initiator, rare earth tris(2,6-di-tert-butyl-4-methylphenolate)[Ln(OAr)_3]. The influences of reaction conditions such as the monomer concentration, the polymerization temperature and time, and the types of solvents on the polymerization of HNCO were studied. Polymerizations of phenyl, i-propyl, p-tolyl, n-butyl and n-octyl isocyanates with La(OAr)_3 were also examined.
基金Supported by the National Natural Science Foundation of China(21776074,21576081,2181101120).
文摘The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed on g PROMS platform to get easy access to the solutions of reactive extraction with phase splitting. Based on rigorous criteria, dynamic analysis from initial state to final equilibrium(e.g., evolution of phase composition, mass transfer rate and reaction rate) and optimal design of operating conditions(e.g., extractant dosage and feed molar ratio) are achieved. To illustrate the method, the esterification of n-hexyl acetate is taken as an example. The approach proves to be reliable in the analysis and optimization of the exemplified system, which provides instructive reference for further process design and simulation of reactive extraction.
文摘Bis （methylcyclopentadienyl） lanthanide amido complex （MeCp） 2YbNPh2 （THF） reacted with n-hexyl isocyanate （n-nexylNCO） in 1：1 molar ratio to give {（MeC5H4）2Yb[OC（NPh2）N（n-hexyl）] }2（1）. Complex 1 was characterized by elemental analyses and X-ray diffraction. The title complex belongs to trigonal system and R-3 space group. Its unit cell parameters are a =2.9533（11） nm, b =2.9533（11） nm, c = 1.5873（6） nm, V= 11.9896（80） nm^3, Z =9, Dc= 1.562 mg·m^-3, μ = 3.536 mm^-1（Mo Kα）, F（000） =5670, R =0.034, Rw =0.064. It is a dimeric structure with two symmetrical bridged oxygen atoms. Nitrogen atom is coordinated to the ytterbium atom to form a tricyclic backbone. The coordination number of ytterbium is 9. The whole molecule shows central symmetry.
文摘采用控制酯化率和不外加相转移催化剂、在敞开体系中自催化磺化反应的方法,合成了4种不同乙氧基加成数 n(n=3,5,7,9。下同)的阴离子表面活性剂月桂醇聚氧乙烯醚(LEO_n)己基琥珀酸混合双酯磺酸钠(LHSS_n)。对由4种 LEO_n 来分别合成 LHSS_n 的最佳工艺条件与 LEO_n 的乙氧基加成数的关系进行了研究。结果表明:随着乙氧基加成数的增加,单酯化反应的酯化率达到约100%时的反应温度从90℃增加到140℃;双酯化率达到约95%时的反应温度从140℃增加到170℃,己醇过量从100%增加到400%。同样地随着乙氧基加成数的增加,磺化剂亚硫酸氢钠过量从5%增加到10%,反应时间从2.25 h 增加到2.75 h,反应温度从130℃增加到180℃。从酯化反应中 LEO 进攻羰基 C 的空间位阻对酯化反应的影响以及磺化反应中产物自催化作用对磺化反应的影响分别解释了反应性变化的原因。
