关于使用基因表达编程评估聚合物中的二氧化碳可溶性
Behnam Amiri-Ramsheh1, Menad Nait Amar2, Mohammadhadi Shateri3
1Department of Petroleum Engineering, Shahid Bahonar University of Kerman, Kerman, Iran.
Scientific reports
|August 2, 2023
概括
基因表达编程准确地预测了聚二氧化碳在聚合物如聚乙烯和聚乙烯酸盐中的溶解性. 模型显示高效率,趋势表明溶解度随压力增加而随温度降低.
科学领域:
- 聚合物科学 聚合物科学
- 化学工程是化学工程的组成部分.
- 计算化学是一种计算化学.
背景情况:
- 聚合物中的二氧化碳 (CO2) 溶解性对于材料设计和化学过程至关重要.
- 对于高效的工程应用,需要准确的预测模型.
研究的目的:
- 使用基因表达编程 (GEP) 开发在聚乙烯 (PS),聚乙烯酸盐-联合酸盐 (PBSA) 和聚乙烯酸盐 (PBS) 中二氧化碳溶解性的预测模型.
- 分析压力和温度对二氧化碳溶性的影响.
- 为了验证开发的相关联的统计稳定性.
主要方法:
- 用基因表达编程 (GEP) 来生成二氧化碳溶解度的相关性.
- 亨利定律被用来分析有关压力和温度的趋势.
- 杆方法用于异常值的检测.
主要成果:
- GEP模型实现了高预测准确度,平均绝对相对误差为9.71% (PS),5.87% (PBSA) 和1.63% (PBS).
- 趋势分析证实,二氧化碳的溶解度随着压力增加而随着温度下降.
- 异常值的检测验证了开发的相关性的统计学意义.
结论:
- GEP提供了一种有效的方法来预测指定的聚合物中的二氧化碳溶解度.
- 开发的相关性为工程应用提供可靠的预测.
- 该研究证实了聚合物中气体溶解性的已确定的热力学趋势.
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