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Evaluation of CO2-philicity and thickening capability of multichain poly(ether-carbonate) with assistance of molecular simulations |
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| Authors: | Rui Chen Jieyuan Zheng Zhongzhu Ma Xianwei Zhang Hong Fan Carla Bittencourt |
| Affiliation: | 1. Sinopec Petroleum Exploration and Production Research Institute, State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing, China Sinopec Petroleum Exploration and Production Research Institute, Key Laboratory of Marine Oil and Gas Reservoirs Production Sinopec, Beijing, China State Key Laboratory of Chemical Engineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, China;2. State Key Laboratory of Chemical Engineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, China;3. Center of Innovation and Research in Materials and Polymers (CIRMAP), University of Mons, Mons, Belgium |
| Abstract: | Phenyl-centered tri-chain poly(ether-carbonate) (TMA-PEC), phenyl-centered double-chain poly(ether-carbonate) (TPA-PEC), and phenyl-centered four-chain poly(ether-carbonate) (TFA-PEC) were synthesized to act as CO2 thickener. Their solubility in CO2 was measured by cloud point pressure. In order to explore the material characteristics that affect the solubility, dynamic simulations were used to analyze intermolecular polymer interactions, and the interaction between polymers and CO2. It was found that TPA-PEC and TMA-PEC has better solubility than TFA-PEC in CO2 among the three polymers while the thickening effect is poor, TFA-PEC possess the best viscosity thickening effect while the solubility in CO2 is unfavorable. The silicone unit 1,1,1,3,5,5,5-heptamethyl-3-(3-[oxiran-2-ylmethoxy] propyl)trisiloxane modified TFA-PEC (TFA-PEC-SAGE) combine good solubility and good thickening ability together. The molecular simulations show that TPA-PEC and TMA-PEC have weaker intermolecular interactions and TPA-PEC and TMA-PEC have stronger interaction with CO2 which are beneficial to the solubility. |
| Keywords: | applications copolymers oil and gas phase behavior ring-opening polymerization |