Citation: En-bin Zhou, Li-quan Wang, Jia-ping Lin, Jun-li Zhu, Lei Du, Shi-feng Deng, Jia-bin Gu, Liang-shun Zhang. Design of Low-viscosity Silicon-containing Arylacetylene Resins by a Combination Screening Method[J]. Acta Polymerica Sinica, ;2019, 50(12): 1322-1330. doi: 10.11777/j.issn1000-3304.2019.19104 shu

Design of Low-viscosity Silicon-containing Arylacetylene Resins by a Combination Screening Method

Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237

Corresponding author: Li-quan Wang, lq_wang@ecust.edu.cn Jia-ping Lin, jlin@ecust.edu.cn
Received Date: 17 May 2019
Revised Date: 2 June 2019

It is challenging to improve the processing performance of silicon-containing arylacetylene resins while ensuring their excellent thermal properties. In this work, we presented a combination screening method for designing low-viscosity silicon-containing arylacetylene resins. We first defined the dichlorosilane as the gene for combination in terms of the chemical synthesis routes. The genes are combined with alkynyl benzene to generate a series of candidate resins. Then the viscosity, density, and thermal decomposition temperature of the candidate resins were calculated by molecular connection index method. Two optimal resins (ESA-e and ESA-2e) with higher index were screened through defining an index––a ratio of thermal decomposition temperature to viscosity. To validate the screened results, molecular dynamics simulation was used to evaluate the properties of the two optimal resins. In addition, a comparision between the optimal resins and a tranditional resin (PSA-H) were made. It was found that the viscosity of the optimal resins is lower than that of PSA-H and that of ESA-2e is the lowest. However, the glass transition temperature of the optimal resins decreased. To improve both the thermal properties and processing performance of the resins, the optimal resins were blended with PSA-H. The viscosity, thermal properties, and mechanical properties of the blends were examined by MD simulation. The results suggested that both the thermal properties and processing performance of the resins can be balanced via blending. The work provided a rapid method for the design and development of new resins. Moreover, the combination screening method can be generalized to the design of other advanced polymers.
- Materials genome,
- Molecular dynamics,
- Molecular connection index,
- Silicon-containing arylacetylene resin,
- Blend modification
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