Mesoscopic simulation of the synthesis of enzyme-like catalysts

被引：0
作者：
P. O. Baburkin
P. V. Komarov
A. I. Barabanova
P. G. Khalatur
A. R. Khokhlov
机构：
[1] Tver State University,Nesmeyanov Institute of Organoelement Compounds
[2] Russian Academy of Sciences,undefined
[3] Moscow State University,undefined
来源：
Doklady Physical Chemistry | 2016年 / 470卷
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摘要：
A model based on the mesoscale simulation technique was developed for predicting the conditions for artificial enzyme formation from N-vinylcaprolactam (VCL) and N-vinylimidazole (NVI) by radical copolymerization of pre-synthesized poly-VCL blocks of different molecular weight with VCL and NVI comonomers. This synthetic procedure gives model copolymer chains. Upon a change in the solvent nature, these chains are able to form compact two-layer globular nanostructures with core–shell type morphology if the fraction of the first poly-VCL block is 25–38% of the total copolymer and the fraction of NVI monomers in the reaction mixture (in the concentration range considered) is maximum.
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页码：129 / 132
页数：3
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