基于分子动力学的生物沥青相容性研究
U414; 为了评价木屑热裂解生物油与沥青的相容性,基于分子动力学方法构建了基质沥青、生物油及生物沥青模型,采用分子极性、溶解度参数和结合能指标定量分析了生物油与沥青及其各组分的相容性;同时,借助离析试验对模拟结果进行了验证.结果表明:生物油的溶解度参数与沥青质组分较为接近,两者均具有较强的极性、更容易产生吸附;随着温度升高,生物油与沥青的溶解度参数差逐渐变大,结合能逐渐下降,当生物沥青混合体系温度超过433 K时,两者的溶解度参数差和结合能参数会出现明显的劣化;温度达到453 K时生物沥青的储存稳定性下降较为明显;为了保证生物油和沥青的相容性,避免高温储存过程中发生严重离析,建议生物沥青的储...
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| Published in | 华南理工大学学报（自然科学版） Vol. 50; no. 5; pp. 65 - 72 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | Chinese |
| Published |
长安大学公路学院,陕西西安710064%北京建筑大学土木与交通运输工程学院,北京100044
01.05.2022
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1000-565X |
| DOI | 10.12141/j.issn.1000-565X.210595 |
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| Abstract | U414; 为了评价木屑热裂解生物油与沥青的相容性,基于分子动力学方法构建了基质沥青、生物油及生物沥青模型,采用分子极性、溶解度参数和结合能指标定量分析了生物油与沥青及其各组分的相容性;同时,借助离析试验对模拟结果进行了验证.结果表明:生物油的溶解度参数与沥青质组分较为接近,两者均具有较强的极性、更容易产生吸附;随着温度升高,生物油与沥青的溶解度参数差逐渐变大,结合能逐渐下降,当生物沥青混合体系温度超过433 K时,两者的溶解度参数差和结合能参数会出现明显的劣化;温度达到453 K时生物沥青的储存稳定性下降较为明显;为了保证生物油和沥青的相容性,避免高温储存过程中发生严重离析,建议生物沥青的储存温度不宜高于433 K. |
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| AbstractList | U414; 为了评价木屑热裂解生物油与沥青的相容性,基于分子动力学方法构建了基质沥青、生物油及生物沥青模型,采用分子极性、溶解度参数和结合能指标定量分析了生物油与沥青及其各组分的相容性;同时,借助离析试验对模拟结果进行了验证.结果表明:生物油的溶解度参数与沥青质组分较为接近,两者均具有较强的极性、更容易产生吸附;随着温度升高,生物油与沥青的溶解度参数差逐渐变大,结合能逐渐下降,当生物沥青混合体系温度超过433 K时,两者的溶解度参数差和结合能参数会出现明显的劣化;温度达到453 K时生物沥青的储存稳定性下降较为明显;为了保证生物油和沥青的相容性,避免高温储存过程中发生严重离析,建议生物沥青的储存温度不宜高于433 K. |
| Author | 丁鹤洋 马子业 徐宁 汪海年 陈玉 张然 |
| AuthorAffiliation | 长安大学公路学院,陕西西安710064%北京建筑大学土木与交通运输工程学院,北京100044 |
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| Author_FL | CHEN Yu ZHANG Ran WANG Hainian DING Heyang XU Ning MA Ziye |
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| Publisher | 长安大学公路学院,陕西西安710064%北京建筑大学土木与交通运输工程学院,北京100044 |
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| Snippet | U414; 为了评价木屑热裂解生物油与沥青的相容性,基于分子动力学方法构建了基质沥青、生物油及生物沥青模型,采用分子极性、溶解度参数和结合能指标定量分析了生物油与沥青及... |
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| Title | 基于分子动力学的生物沥青相容性研究 |
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