Chemical Industry and Engineering Progress ›› 2023, Vol. 42 ›› Issue (6): 3147-3156.DOI: 10.16085/j.issn.1000-6613.2022-1520
• Materials science and technology • Previous Articles Next Articles
ZHAO Yi1,2(), YANG Zhen3, ZHANG Xinwei4, WANG Gang4, YANG Xuan5
Received:
2022-08-17
Revised:
2022-09-29
Online:
2023-06-29
Published:
2023-06-25
Contact:
ZHAO Yi
通讯作者:
赵毅
作者简介:
赵毅(1980—),男,教授,硕士生导师,研究方向为高性能沥青材料。E-mail:1585513635@qq.com。
基金资助:
CLC Number:
ZHAO Yi, YANG Zhen, ZHANG Xinwei, WANG Gang, YANG Xuan. Molecular simulation of self-healing behavior of asphalt under different crack damage and healing temperature[J]. Chemical Industry and Engineering Progress, 2023, 42(6): 3147-3156.
赵毅, 杨臻, 张新为, 王刚, 杨旋. 不同裂缝损伤和愈合温度条件下沥青自愈合行为的分子模拟[J]. 化工进展, 2023, 42(6): 3147-3156.
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URL: https://hgjz.cip.com.cn/EN/10.16085/j.issn.1000-6613.2022-1520
项目 | 针入度(25℃、100g、5s)/0.1mm | 延度(5cm/min、15℃)/cm | 软化点/℃ |
---|---|---|---|
70#基质沥青 | 65 | 130 | 49 |
技术标准 | 60~80 | >100 | ≥ 45 |
项目 | 针入度(25℃、100g、5s)/0.1mm | 延度(5cm/min、15℃)/cm | 软化点/℃ |
---|---|---|---|
70#基质沥青 | 65 | 130 | 49 |
技术标准 | 60~80 | >100 | ≥ 45 |
项目 | 组分含量/% | |||
---|---|---|---|---|
胶质R | 沥青质As | 芳香分Ar | 饱和分S | |
70#基质沥青 | 37.71 | 22.40 | 22.39 | 17.50 |
技术要求 | 31~55 | >10 | 21~47 | 12~27 |
项目 | 组分含量/% | |||
---|---|---|---|---|
胶质R | 沥青质As | 芳香分Ar | 饱和分S | |
70#基质沥青 | 37.71 | 22.40 | 22.39 | 17.50 |
技术要求 | 31~55 | >10 | 21~47 | 12~27 |
组分 | 分子 | 分子名称 | 分子式 | 分子量 | 原子数 | 代码 |
---|---|---|---|---|---|---|
胶质 | 胶质A | Pyridinonhopane | C36H57N | 503.8 | 94 | a |
胶质B | Quinolinohopane | C40H59N | 553.9 | 100 | b | |
胶质C | Trimethylbenzeneoxane | C29H50O | 414.7 | 80 | c | |
胶质D | Benzobisbenzothiophene | C18H10S2 | 290.4 | 30 | d | |
胶质E | Thioisorenieratane | C40H60S | 573.0 | 101 | e | |
沥青质 | 沥青质A | Asphaltene-phenol | C42H54O | 574.9 | 97 | f |
沥青质B | Asphaltene-pyrrole | C66H81N | 888.4 | 148 | g | |
沥青质C | Asphaltene-thiophene | C51H62S | 707.1 | 114 | h | |
芳香分 | 芳香分A | PHPN | C35H44 | 464.7 | 79 | i |
芳香分B | DOCHN | C30H46 | 406.7 | 76 | j | |
饱和分 | 饱和分A | Squalane | C30H62 | 422.8 | 92 | k |
饱和分B | Hopane | C35H62 | 482.9 | 97 | l |
组分 | 分子 | 分子名称 | 分子式 | 分子量 | 原子数 | 代码 |
---|---|---|---|---|---|---|
胶质 | 胶质A | Pyridinonhopane | C36H57N | 503.8 | 94 | a |
胶质B | Quinolinohopane | C40H59N | 553.9 | 100 | b | |
胶质C | Trimethylbenzeneoxane | C29H50O | 414.7 | 80 | c | |
胶质D | Benzobisbenzothiophene | C18H10S2 | 290.4 | 30 | d | |
胶质E | Thioisorenieratane | C40H60S | 573.0 | 101 | e | |
沥青质 | 沥青质A | Asphaltene-phenol | C42H54O | 574.9 | 97 | f |
沥青质B | Asphaltene-pyrrole | C66H81N | 888.4 | 148 | g | |
沥青质C | Asphaltene-thiophene | C51H62S | 707.1 | 114 | h | |
芳香分 | 芳香分A | PHPN | C35H44 | 464.7 | 79 | i |
芳香分B | DOCHN | C30H46 | 406.7 | 76 | j | |
饱和分 | 饱和分A | Squalane | C30H62 | 422.8 | 92 | k |
饱和分B | Hopane | C35H62 | 482.9 | 97 | l |
组分 | 分子 | 分子量 | 原子数 | 模型 分子数 | 质量 分数/% | 模型 原子数 | 模型 比例/% |
---|---|---|---|---|---|---|---|
胶质 | A | 503.9 | 94 | 9 | 7.80 | 846 | 37.51 |
B | 533.9 | 100 | 9 | 8.54 | 900 | ||
C | 414.7 | 80 | 10 | 6.39 | 800 | ||
D | 290.4 | 30 | 10 | 4.97 | 300 | ||
E | 573 | 101 | 10 | 9.81 | 1010 | ||
沥青质 | A | 574.9 | 97 | 6 | 5.91 | 582 | 22.31 |
B | 888.4 | 148 | 6 | 9.13 | 888 | ||
C | 707.1 | 114 | 6 | 7.27 | 684 | ||
芳香分 | A | 464.7 | 79 | 15 | 11.94 | 1185 | 22.39 |
B | 406.7 | 76 | 15 | 10.45 | 1140 | ||
饱和分 | A | 422.8 | 92 | 12 | 8.69 | 1104 | 17.79 |
B | 482.9 | 97 | 11 | 9.10 | 1067 | ||
总和 | — | — | — | 119 | 100 | 10506 | 100 |
组分 | 分子 | 分子量 | 原子数 | 模型 分子数 | 质量 分数/% | 模型 原子数 | 模型 比例/% |
---|---|---|---|---|---|---|---|
胶质 | A | 503.9 | 94 | 9 | 7.80 | 846 | 37.51 |
B | 533.9 | 100 | 9 | 8.54 | 900 | ||
C | 414.7 | 80 | 10 | 6.39 | 800 | ||
D | 290.4 | 30 | 10 | 4.97 | 300 | ||
E | 573 | 101 | 10 | 9.81 | 1010 | ||
沥青质 | A | 574.9 | 97 | 6 | 5.91 | 582 | 22.31 |
B | 888.4 | 148 | 6 | 9.13 | 888 | ||
C | 707.1 | 114 | 6 | 7.27 | 684 | ||
芳香分 | A | 464.7 | 79 | 15 | 11.94 | 1185 | 22.39 |
B | 406.7 | 76 | 15 | 10.45 | 1140 | ||
饱和分 | A | 422.8 | 92 | 12 | 8.69 | 1104 | 17.79 |
B | 482.9 | 97 | 11 | 9.10 | 1067 | ||
总和 | — | — | — | 119 | 100 | 10506 | 100 |
沥青种类 | CED/J·cm-3 | SP/(J·cm-3)1/2 |
---|---|---|
70#基质沥青 | 254 | 15.9 |
参考值 | 234~529 | 13.3~22.5[ |
沥青种类 | CED/J·cm-3 | SP/(J·cm-3)1/2 |
---|---|---|
70#基质沥青 | 254 | 15.9 |
参考值 | 234~529 | 13.3~22.5[ |
裂缝宽度/Å | 温度/K | 自由体积 | 原子占用体积 | FFV/% |
---|---|---|---|---|
10 | 313 | 77267.19 | 125801.34 | 38.05 |
323 | 77247.33 | 125769.34 | 38.05 | |
333 | 78227.10 | 125807.38 | 38.34 | |
30 | 313 | 75845.83 | 125785.55 | 37.62 |
323 | 78112.28 | 125814.18 | 38.30 | |
333 | 78929.77 | 125797.60 | 38.55 | |
50 | 313 | 73915.30 | 125800.50 | 37.01 |
323 | 75050.53 | 125767.53 | 37.37 | |
333 | 75810.68 | 125808.70 | 37.60 | |
70#(单晶胞) | — | 54694.88 | 62944.17 | 46.49 |
裂缝宽度/Å | 温度/K | 自由体积 | 原子占用体积 | FFV/% |
---|---|---|---|---|
10 | 313 | 77267.19 | 125801.34 | 38.05 |
323 | 77247.33 | 125769.34 | 38.05 | |
333 | 78227.10 | 125807.38 | 38.34 | |
30 | 313 | 75845.83 | 125785.55 | 37.62 |
323 | 78112.28 | 125814.18 | 38.30 | |
333 | 78929.77 | 125797.60 | 38.55 | |
50 | 313 | 73915.30 | 125800.50 | 37.01 |
323 | 75050.53 | 125767.53 | 37.37 | |
333 | 75810.68 | 125808.70 | 37.60 | |
70#(单晶胞) | — | 54694.88 | 62944.17 | 46.49 |
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