介绍了Kirk—Othmer Encyclopedia of Chemical Technology（化工技术百科全书）（第五版）电子图书网络版数据库，并对该数据库使用方法和检索途径作出了说明，且结合实例简单地介绍了该数据库的检索方法。

Kirk-Othmer Encyclopedia of Chemical Technology数据库介绍及实例

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Catalysis by Supported Gold Nanoparticles: Beyond Aerobic Oxidative Processes

pH-Responsive polymers

the National Natural Science Foundation of China (21073208);the Chinese Academy of Sciences

Nano-Gold Catalysis in Fine Chemical Synthesis

https://pure.rug.nl/ws/files/35622281/1_s2.0_S0920410516302674_main.pdf

Polymeric surfactants for enhanced oil recovery: A review

Polymeric Surfactants : Synthesis, Properties, and Links to Applications

Chemical enhanced oil recovery and the role of chemical product design

The effect of two difunctional chain extenders, 1,6-diisocyanatohexane (NCO) and 1,4-butanediol diglycidyl ether (EPOX), in the reactive melt-processing of a post-consumer poly(ethylene terephthalate) (r-PET) was investigated. The torque evolution during processing in a batch mixer and the molecular weight of the chain-extended r-PET, as determined by SEC analysis, were comparatively evaluated. A simple mathematical model proposed here was used to fit the obtained molecular weights. Two polyfunctional chain extenders, poly(phenyl isocyanate- co -formaldehyde) (P-NCO) and a styrene-acrylate copolymer bearing epoxide groups (P-EPOX), were also used and their reactivity was compared with that of the difunctional ones by analysing torque and melt flow rate data. The different reactivity of the two functional groups and the structure of the final polymer (either linear or branched depending on the type of chain extender) affect both crystallization behaviour and tensile properties of the modified r-PET. Fine tuning of the latter properties by suitable chain extender(s) selection and formulation is anticipated.

Chain extension and branching of poly(ethylene terephthalate) (PET) with di- and multifunctional epoxy or isocyanate additives: An experimental and modelling study

Atomic transfer radical polymerization (ATRP) of acrylamide has been accomplished in aqueous media at room temperature. By using methyl 2-chloropropionate (MeClPr) as the initiator and tris[2-(dimethylamino)ethyl]amine (Me6TREN)/copper halogenide (CuX) as the catalyst system, different linear polyacrylamides with apparent molecular weights up to >150 000 g/mol were synthesized with dispersities as low as 1.39. The molecular weights agreed well with the theoretical ones at relatively low-medium monomer/initiator ratios (<700:1). Initial chain extension experiments (isolated macroinitiator) resulted in a polymer with bimodal distribution. However, in situ chain extension experiments, carried out by addition of a second fresh batch of monomer to the reaction mixture, confirmed the living nature of the polymerization. By adding a fresh batch of monomer to a linear macroinitiator (Mn = 22 780 g/mol, PDI = 1.42) in solution, an increase in the molecular weight up to 30 220 g/mol (PDI = 1.64) was observed. In ad...

/pdf/acrylamide-homopolymers-and-acrylamide-n-isopropylacrylamide-5sph1vd3zd.pdf

Patrizio Raffa

Papers

Polymeric surfactants for enhanced oil recovery: A review

Polymeric Surfactants : Synthesis, Properties, and Links to Applications

Chemical enhanced oil recovery and the role of chemical product design

Chain extension and branching of poly(ethylene terephthalate) (PET) with di- and multifunctional epoxy or isocyanate additives: An experimental and modelling study

Acrylamide Homopolymers and Acrylamide–N-Isopropylacrylamide Block Copolymers by Atomic Transfer Radical Polymerization in Water