聚苯基甲基硅氧烷分子量-折射率模型研究

doi:10.11949/0438-1157.20230735

摘要/Abstract

摘要：

聚硅氧烷是应用广泛的一种特种有机硅材料，折射率是衡量聚硅氧烷性能的重要指标。应用基团贡献法建立了适用于聚苯基甲基硅氧烷体系的分子量-折射率模型，结合自由体积理论对模型进行了修正。修正后的模型能够根据分子量和温度有效地预测聚苯基甲基硅氧烷的折射率，相对误差在±0.2%范围内。根据修正后的模型阐述了分子量、温度对折射率的影响：折射率随着分子量的增大而升高，最终趋于一定值；折射率随着温度的升高明显下降。研究结果可为高折射率聚硅氧烷的设计与合成提供参考。

关键词: 基团贡献, 折射率, 模型, 聚苯基甲基硅氧烷, 分子量

Abstract:

Polysiloxane is a special silicone material that is widely used. The refractive index is an important indicator for measuring the performance of polysiloxane. A molecular weight-refractive index model suitable for polymethylphenylsiloxanes has been established by using the group contribution method and optimized based on the free volume theory. The optimized model can effectively predict the refractive index of polymethylphenylsiloxanes from molecular weight and temperature, with a relative error within ±0.2%. The influence of molecular weight and temperature on refractive index has been explained by the optimized model: the refractive index increases with the increase of molecular weight and eventually tends to a certain value; the refractive index decreases significantly with the increase of temperature. The relevant results are significant for the design and synthesis of polysiloxanes with high refractive index.

Key words: group contribution, refractive index, model, polymethylphenylsiloxane, molecular weight

中图分类号:

TQ 314.2

钟东霖, 介素云, 杜淼, 潘鹏举, 单国荣. 聚苯基甲基硅氧烷分子量-折射率模型研究[J]. 化工学报, 2024, 75(1): 190-196.

Donglin ZHONG, Suyun JIE, Miao DU, Pengju PAN, Guorong SHAN. Study on molecular weight-refractive index model of polymethylphenylsiloxane[J]. CIESC Journal, 2024, 75(1): 190-196.

图/表 9

参考文献 34

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Molecular weight	Refractive index
Molecular weight	30℃	40℃	50℃	60℃
3058	1.5202	1.5168	1.5136	1.5098
5552	1.5336	1.5298	1.5269	1.5236
8264	1.5401	1.5361	1.5324	1.5286
10075	1.5415	1.5376	1.5340	1.5301
13794	1.5441	1.5409	1.5383	1.5347
18843	1.5460	1.5417	1.538	1.5345
20999	1.5464	1.5433	1.5408	1.5370
28253	1.5475	1.5437	1.5405	1.5366
46634	1.5495	1.5459	1.5418	1.5387

Molecular weight	Refractive index
Molecular weight	30℃	40℃	50℃	60℃
3058	1.5202	1.5168	1.5136	1.5098
5552	1.5336	1.5298	1.5269	1.5236
8264	1.5401	1.5361	1.5324	1.5286
10075	1.5415	1.5376	1.5340	1.5301
13794	1.5441	1.5409	1.5383	1.5347
18843	1.5460	1.5417	1.538	1.5345
20999	1.5464	1.5433	1.5408	1.5370
28253	1.5475	1.5437	1.5405	1.5366
46634	1.5495	1.5459	1.5418	1.5387

Temperature/℃	f
30	0.019
40	0.022
50	0.024
60	0.026

Temperature/℃	f
30	0.019
40	0.022
50	0.024
60	0.026

Molecular weight	Refractive index
	30℃		40℃		50℃		60℃
	Exp.	Pred.	Exp.	Pred.	Exp.	Pred.	Exp.	Pred.
6575	1.5377	1.5376	1.5346	1.5349	1.5311	1.5313	1.5283	1.5268
10163	1.5409	1.5410	1.5371	1.5384	1.5335	1.5349	1.5299	1.5303
12097	1.5428	1.5420	1.5394	1.5395	1.5359	1.5359	1.5321	1.5314
14907	1.5439	1.5430	1.5402	1.5405	1.5360	1.5369	1.5328	1.5324
26201	1.5470	1.5449	1.5431	1.5424	1.5392	1.5389	1.5359	1.5344