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使用集团贡献方法预测生物柴油和乙醇混合物的闪光温度
Esmaeil Bahrani1, Mohammad Saleh Shafeeyan1, Morteza Banihashemi2
1Department of Chemical Engineering, Faculty of Engineering, Golestan University, Aliabad Katoul, Iran.
Heliyon
|September 12, 2024
概括
一种新的集团贡献方法 (GCM) 准确预测生物柴油-乙醇混合物的闪电温度. 这种GCM方法为估计复杂燃料混合物的闪点提供了优质的替代方案.
科学领域:
- * 化学工程 化学工程
- * 热力学是一种热力学.
- * 燃料科学 燃料科学
背景情况:
- *准确的闪光温度预测对于燃料安全和处理至关重要,特别是对于生物柴油-乙醇等混合物.
- *现有的模型往往需要广泛的参数拟合或与复杂的混合物作斗争.
- * 集团贡献方法 (GCM) 为基于分子结构的财产估计提供了一个有前途的框架.
研究的目的:
- * 开发和验证一种新的集团贡献方法 (GCM),用于预测生物柴油和乙醇混合物的闪光温度.
- * 将拟议的GCM的性能与理想解决方案,UNIQUAC和NRTL等传统模型进行比较.
- * 提高可再生燃料混合物的闪点估计的准确性.
主要方法:
- *使用GCM计算生物柴油和乙醇组件的活性系数.
- *分析混合物成分,功能组和蒸气-液体平衡 (VLE) 数据.
- *利用VLE数据来确定UNIQUAC和NRTL模型的GCM参数和活动系数.
主要成果:
- * 拟议的GCM实现了闪光温度的最低预测误差,偏差为1.72K.
- *性能比较显示,GCM的性能优于理想解决方案 (1.77K),UNIQUAC (1.75K) 和NRTL (1.73K) 模型.
- *该方法成功估计了活动系数和功能组贡献.
结论:
- *开发的GCM提供了一个非常准确和可靠的方法来预测生物柴油-乙醇混合物的闪光温度.
- * 这种方法通过减少对参数拟合的广泛实验数据的依赖来简化闪点估计.
- * 该研究为生物柴油-乙醇燃料混合物的安全和有效利用提供了宝贵的工具.
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