| Поле | Инд. | ПП | Название | Значение |
|---|---|---|---|---|
| Тип записи | a | |||
| Библиографический уровень | a | |||
| 001 | Контрольный номер | 3f43b3006da34f1db859ed8479abbc71 | ||
| 005 | Дата корректировки | 20260702144056.7 | ||
| 040 | a | Служба первич. каталог. | НБ ТвГУ | |
| b | Код языка каталог. | rus | ||
| e | Правила каталог. | PSBO | ||
| 041 | 0_ | a | Код языка текста | rus |
| 097 | b | Оператор | Komarova.ES | |
| 245 | 10 | a | Заглавие | Predicting the aggregation stability of nanostructures based on polyVCL-polyVI copolymers: mesoscopic simulation |
| 260 | a | Место издания | Тверь | |
| b | Издательство | Тверской государственный университет | ||
| 504 | a | Библиография | Библиогр.: с. 383-384 (29 назв.) | |
| 520 | 0_ | a | Аннотация | Computer simulation of the aggregation behavior of thermosensitive copolymers of N vinylcaprolactam (VCL) and N-vinylimidazole (VI) was performed in the framework of a coarse grained model. Virtual synthesis of the copolymers from a monomer feed with different compositions was implemented using a Kinetic Monte Carlo method. At low conversions, statistical copolymers were obtained, while at high conversions, the copolymers contained a long block of VCL units. The aggregation behavior of the constructed copolymers was studied using Langevin dynamics in the solvent environment that is poor for the VCL units, which, in terms of the devised model, corresponds to the temperatures above the lower critical solution temperature for the VCL. It was shown that the aggregation of VCL blocks initially leads to the formation of nanoparticle-like nanostructures with a core-shell morphology, where the core is formed by VCL blocks and the shell is formed by VI blocks. The presence of a homopolymer VCL block increases the density of the core, while its length and the VCL content in the monomer feed affect the size of the shell. It was shown that the nanostructures formed at fVCL = 0,55 (VCL content in the monomer feed) have the highest aggregation stability. In this case, when the solvent is poor for the VCL, the mesoglobules are formed, consisting on average of 2-3 polymer chains. The polymers produced from monomer feed with higher VCL content form potentially aggregation-unstable nanostructures. Also, the polymers obtained at fVCL = 0,55 have the highest specific solvent-accessible area of VI units, which makes them a prospective basis for the development of thermally-switched catalysts. |
| 653 | 0_ | a | Ключевые слова | Poly(N-vinylcaprolactam) |
| a | Ключевые слова | Poly(N-vinylimidazole) | ||
| a | Ключевые слова | Thermosensitive copolymers | ||
| a | Ключевые слова | Thermally-switched catalysts | ||
| a | Ключевые слова | Computer simulation | ||
| 700 | 12 | a | Другие авторы | Glagolev Mikhail K. |
| 700 | 12 | a | Другие авторы | Shatskaya Yaroslava N. |
| 700 | 12 | a | Другие авторы | Vorozheykina Alesya V. |
| 700 | 12 | a | Другие авторы | Barabanova Anna I. |
| 700 | 12 | a | Другие авторы | Komarov Pavel V. |
| 773 | 18 | w | Контрольный № источника | 68e9503e250a4b62acf4ddd87a83e008 |
| t | Название источника | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов | ||
| d | Место и дата издания | Тверь : Тверской государственный университет, 2025 | ||
| g | Прочая информация | Вып. 17. - С. 374-385 | ||
| 901 | t | Тип документа | a | |
| 920 | a | Оператор | Кома | |
| 954 | b | Дата поступления в ОК | 20260615 |