Evaluation of CO2‐philicity and thickening capability of multichain poly(ether‐carbonate) with assistance of molecular simulations. Issue 3 (13th August 2020)

• Record Type: Journal Article
• Authors: Chen, Rui; Zheng, Jieyuan; Ma, Zhongzhu; Zhang, Xianwei; Fan, Hong; Bittencourt, Carla
• Is Part Of: Journal of applied polymer science. Volume 138:Issue 3(2021)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-08-13
• Subjects: applications -- copolymers -- oil and gas -- phase behavior -- ring‐opening polymerization; Polymers -- Periodicals; Polymerization -- Periodicals; 668.9
• DOI: 10.1002/app.49700
• Languages: English
• ISSNs: 0021-8995

Abstract

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. Abstract :