CIESC Journal ›› 2024, Vol. 75 ›› Issue (4): 1668-1678.DOI: 10.11949/0438-1157.20231251
• Surface and interface engineering • Previous Articles Next Articles
Kang ZHOU1(), Jianxin WANG2, Hai YU1, Chaoliang WEI1, Fengqi FAN1, Xinhao CHE2, Lei ZHANG2()
Received:
2023-11-27
Revised:
2024-01-12
Online:
2024-06-06
Published:
2024-04-25
Contact:
Lei ZHANG
周康1(), 王建新2, 于海1, 魏朝良1, 范丰奇1, 车昕昊2, 张磊2()
通讯作者:
张磊
作者简介:
周康(1987—),男,硕士,高级工程师, zhoukang_rhy@petrochina.com.cn
基金资助:
CLC Number:
Kang ZHOU, Jianxin WANG, Hai YU, Chaoliang WEI, Fengqi FAN, Xinhao CHE, Lei ZHANG. Foam rupture properties of mineral base oils based on molecular dynamics simulation[J]. CIESC Journal, 2024, 75(4): 1668-1678.
周康, 王建新, 于海, 魏朝良, 范丰奇, 车昕昊, 张磊. 基于分子动力学模拟的矿物基础油泡沫破裂性能研究[J]. 化工学报, 2024, 75(4): 1668-1678.
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基础油 | 密度/(g/cm3) | |
---|---|---|
模拟值 | 实验值 | |
2,6,11,15-四甲基十六烷 | 0.7990 | 0.7853(298 K) |
正十四烷基环己烷 | 0.8301 | 0.8258(293 K) |
十四烷基苯 | 0.8617 | 0.8570(296.8 K) |
正二十烷 | 0.8145 | 0.7889(293 K) |
Table 1 Comparison of base oil density simulation results with experimental values
基础油 | 密度/(g/cm3) | |
---|---|---|
模拟值 | 实验值 | |
2,6,11,15-四甲基十六烷 | 0.7990 | 0.7853(298 K) |
正十四烷基环己烷 | 0.8301 | 0.8258(293 K) |
十四烷基苯 | 0.8617 | 0.8570(296.8 K) |
正二十烷 | 0.8145 | 0.7889(293 K) |
模拟体系 | 扩散系数/(10-5 cm2/s) | |||
---|---|---|---|---|
十四烷基苯 | 正十四烷基环己烷 | 2,6,11,15-四甲基十六烷 | 正二十烷 | |
加入十二烷基苯磺酸钙 | 1.01 | 2.17 | 2.46 | 2.02 |
同时加入十二烷基苯磺酸钙+二甲基硅氧烷 | 3.29 | 3.76 | 3.95 | 1.96 |
Table 2 Diffusion coefficient of base oil molecules in different systems
模拟体系 | 扩散系数/(10-5 cm2/s) | |||
---|---|---|---|---|
十四烷基苯 | 正十四烷基环己烷 | 2,6,11,15-四甲基十六烷 | 正二十烷 | |
加入十二烷基苯磺酸钙 | 1.01 | 2.17 | 2.46 | 2.02 |
同时加入十二烷基苯磺酸钙+二甲基硅氧烷 | 3.29 | 3.76 | 3.95 | 1.96 |
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