Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide

Gabriel Jaramillo-Soto; M. Luz Castellanos-Cárdenas; Pedro R. García-Morán; Eduardo Vivaldo-Lima; Gabriel Luna-Bárcenas; Alexander Penlidis

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Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide

机译：超临界二氧化碳中RAFT分散聚合的模拟

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The RAFT radical polymerization of vinyl monomers in supercritical carbon dioxide was modeled using the Predici? simulation package. The sensitivity of polymerization responses on formulation and process variables was analyzed. The simulations were carried out using kinetic and physical parameters corresponding to the polymerization of methyl methacrylate in supercritical carbon dioxide, using AIBN as initiator, at 65 °C and 200 bar, and using values of the addition and fragmentation kinetic rate constants of a typical RAFT agent, as reference conditions. This is the first report in the literature addressing the modeling or simulation of RAFT polymerization in supercritical carbon dioxide.

机译：使用Predici？模拟了超临界二氧化碳中乙烯基单体的RAFT自由基聚合。模拟包。分析了聚合反应对配方和工艺变量的敏感性。使用与甲基丙烯酸甲酯在超临界二氧化碳中聚合相对应的动力学和物理参数，以AIBN作为引发剂，在65°C和200 bar下，并使用典型RAFT的加成和断裂动力学速率常数值进行了模拟代理，作为参考条件。这是文献中针对超临界二氧化碳中RAFT聚合的建模或模拟的第一份报告。

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《Macromolecular theory and simulations》 |2008年第6期|共10页
作者
Gabriel Jaramillo-Soto; M. Luz Castellanos-Cárdenas; Pedro R. García-Morán; Eduardo Vivaldo-Lima; Gabriel Luna-Bárcenas; Alexander Penlidis;
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正文语种 eng
中图分类高分子化学（高聚物）;
关键词
dispersion polymerization; modeling; radical polymerization; reversible addition fragmentation chain transfer (RAFT); supercritical carbon dioxide;

机译：分散聚合;建模;自由基聚合;可逆加成断裂链转移（RAFT）;超临界二氧化碳;

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1. Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide [J] . Gabriel Jaramillo-Soto, M. Luz Castellanos-Cárdenas, Pedro R. García-Morán, Macromolecular theory and simulations . 2008,第6期

机译：超临界二氧化碳中RAFT分散聚合的模拟
2. Iodine transfer dispersion polymerization (dispersion ITP) with CHI _3 and reversible chain transfer catalyzed dispersion polymerization (dispersion RTCP) with GeI _4 of styrene in supercritical carbon dioxide [J] . Kuroda T., Tanaka A., Taniyama T., Polymer: The International Journal for the Science and Technology of Polymers . 2012,第6期

机译：CHI _3的碘转移分散聚合（分散体ITP）和苯乙烯的GeI _4在超临界二氧化碳中的可逆链转移催化分散聚合（分散体RTCP）
3. Advantages of block copolymer synthesis by RAFT-controlled dispersion polymerization in supercritical carbon dioxide [J] . Jennings J., Beija M., Kennon J.T., Macromolecules . 2013,第17期

机译：RAFT控制分散聚合在超临界二氧化碳中合成嵌段共聚物的优势
4. In situ synthesis of fluorinated diblock copolymer nanoparticles via RAFT dispersion polymerization in supercritical carbon dioxide [C] . Z Y Huo, P D Xia, U Azhar International Conference on New Material and Chemical Industry . 2019

机译：原位合成氟化二嵌段共聚物纳米粒子通过筏子分散聚合在超临界二氧化碳中的影响
5. Modification of various thermoplastic polymers through graft copolymerization using supercritical carbon dioxide as a solvent: Synthesis and characterization. [D] . Trivedi, Akshay H. 1997

机译：使用超临界二氧化碳作为溶剂通过接枝共聚改性各种热塑性聚合物：合成和表征。
6. Fully Compressible Low-Mach Number Simulations of Carbon-dioxide at Supercritical Pressures and Trans-critical Temperatures [O] . Uttiya Sengupta, Hassan Nemati, Bendiks J. Boersma, -1

机译：超临界压力和跨临界温度下二氧化碳的完全可压缩低马赫数模拟
7. Synthesis of fluorinated nanoparticles via RAFT dispersion polymerization-induced self-assembly using fluorinated macro-RAFT agents in supercritical carbon dioxide [O] . Anhou Xu, Quanxuan Lu, Zhiyuan Huo, 2017

机译：用氟化宏观筏剂在超临界二氧化碳中通过筏分散聚合诱导的自组装合成氟化纳米颗粒
8. Development of the ANL Plant Dynamics Code and Control Strategies for the Supercritical Carbon Dioxide Brayton Cycle and Code Validation with Data from the Sandia Small-Scale Supercritical Carbon Dioxide Brayton Cycle Test Loop. [R] . A. Sienicki B. Moisseytsev 2011

机译：利用桑迪亚小型超临界二氧化碳布雷顿循环试验环数据开发超临界二氧化碳布雷顿循环和代码验证的aNL工厂动力学规范和控制策略。

Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide

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