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How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation
Shen, Xiaobin; Cao, Lijun; Liu, Yuan; Dai, Jinyue; Liu, Xiaoqing; Zhu, Jin; Du, Shiyu
2018
发表期刊MACROMOLECULES
卷号51期号:13页码:4782-4799
摘要The formation of intra- or intermolecular hydrogen bonding and their influences on polybenzoxazine's properties were investigated after the model benzoxazine monomers (o-AB-fbz, o-AF-fbz, o-AP-fbz, p-AB-fbz, p-AF-fbz, p-AP-fbz) were synthesized. Because of the different electron-donating abilities of bridging units (benzene, furan and pyridine) in isophthalic acid (IPA), 2,5-furandicarboxylic acid (2,5-FDCA) and 2,6-pyridinedicarboxylic acid (2,6-PDCA), the strength of intramolecular H-bonding involved with the oxygen atom in oxazine ring in o-AB-fbz, o-AF-fbz and o-AP-fbz followed the order of o-AB-fbz > o-AF-fbz > o-AP-fbz, and the strength of the overall H-bonding was arranged as follows: o-AB-fbz < o-AF-fbz < oAP-fbz. While more intermolecular H-bonding was formed in p-AB-fbz and p-AF-fbz as well as p-AP-fbz. DSC and FT-IR results discovered the relationship between the H-bonding involved with the oxygen atom in oxazine ring and the curing activities of benzoxazines. After curing reaction, the cured systems showed varied glass transition temperature (Tg), and the influence of H-bonding on Tg was revealed by in situ FT-IR analysis. Molecular dynamics (MD) simulation was also applied to investigate the properties of synthesized polybenzoxazines and similar results were obtained. Not only the formation of H-bonding but also their effects on both the curing behaviors of benzoxazine monomers and the thermal properties of cured resins were systematically investigated, which would help us understand polybenzoxazines more deeply and might be a guideline for improving their comprehensive properties only by manipulating the H-bonding.
关键词Ring-opening Polymerization Fiber-reinforced Polybenzoxazine Functional Benzoxazine Monomers Thermomechanical Properties Mechanical-properties Molecular-dynamics Thermal-properties Thermoset Polymer Network Structure Curing Kinetics
学科领域Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
语种英语
文献类型期刊论文
条目标识符http://ir.nimte.ac.cn/handle/174433/17322
专题2018专题
推荐引用方式
GB/T 7714
Shen, Xiaobin,Cao, Lijun,Liu, Yuan,et al. How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation[J]. MACROMOLECULES,2018,51(13):4782-4799.
APA Shen, Xiaobin.,Cao, Lijun.,Liu, Yuan.,Dai, Jinyue.,Liu, Xiaoqing.,...&Du, Shiyu.(2018).How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation.MACROMOLECULES,51(13),4782-4799.
MLA Shen, Xiaobin,et al."How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation".MACROMOLECULES 51.13(2018):4782-4799.
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