Wax Inhibition by Comb-like Polymers: Support of the Incorporation−Perturbation Mechanism from Molecular Dynamics Simulations

无定形固体 分子动力学 石蜡 结晶 材料科学 化学工程 化学物理 相图 分子 化学 结晶学 有机化学 相(物质) 计算化学 工程类
作者
Yun Hee Jang,Mario Blanco,Jefferson L. Creek,Yongchun Tang,William A. Goddard
出处
期刊:Journal of Physical Chemistry B [American Chemical Society]
卷期号:111 (46): 13173-13179 被引量:71
标识
DOI:10.1021/jp072792q
摘要

Deposition of wax on a cold surface is a serious problem in oil production. Progress in developing more effective wax inhibitors has been impeded by the lack of an established mechanism connecting the molecular structure to inhibitor efficiency. Some comb-like polymers having long alkyl side chains are known to decrease the rate of wax formation. Among several possible mechanisms, we investigate here the incorporation−perturbation mechanism. According to this mechanism, the inhibitor molecules in oil are preferentially partitioned (incorporation) toward the wax-rich (amorphous) wax deposits (soft wax), which then serves as a perturbation to slow down the ordering transition of soft amorphous wax into more stable but problematic hard wax crystals. Indeed, molecular dynamics simulations on an effective inhibitor molecule in both the oil phase and in the amorphous wax phase support the idea that the oil-to-wax partition of the inhibitor is energetically favorable. With the inhibitor molecule embedded, the structure of wax crystal is disturbed, significantly decreasing the order and significantly lowering the cohesive energy density relative to that of the pure wax crystal, supporting the slower transition from soft wax to hard wax. Thus, in the presence of an effective wax inhibitor, crystallization (formation of hard wax) is slowed dramatically, so that there is time to flush out the soft wax with a high-pressure flow inside the pipeline. This suggests design principles for developing improved wax inhibitors.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
烟花应助Leeie03采纳,获得10
1秒前
2秒前
3秒前
4秒前
4秒前
伯赏觅翠完成签到 ,获得积分10
4秒前
4秒前
wzc完成签到,获得积分10
4秒前
双楠应助朱马大采纳,获得10
5秒前
5秒前
hyf发布了新的文献求助10
6秒前
幸福大白发布了新的文献求助10
7秒前
7秒前
zyw发布了新的文献求助10
7秒前
五六七发布了新的文献求助10
9秒前
闾丘剑封发布了新的文献求助10
9秒前
可爱的函函应助小晓采纳,获得10
12秒前
Owen应助SciEngineerX采纳,获得10
12秒前
幸福大白发布了新的文献求助30
13秒前
内向寒云完成签到,获得积分10
15秒前
CipherSage应助DC采纳,获得10
15秒前
淡然的花卷完成签到,获得积分10
16秒前
18秒前
无语的不言完成签到,获得积分20
19秒前
19秒前
慕青应助lzx采纳,获得10
20秒前
20秒前
20秒前
Orange应助欧耶采纳,获得10
21秒前
21秒前
21秒前
yyyyyyy完成签到,获得积分10
23秒前
SciEngineerX发布了新的文献求助10
24秒前
木木完成签到,获得积分10
24秒前
啧啧啧发布了新的文献求助10
25秒前
研友_VZG7GZ应助33采纳,获得30
25秒前
yyyyyyy发布了新的文献求助10
26秒前
26秒前
禹代秋发布了新的文献求助10
27秒前
杰2580发布了新的文献求助10
28秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
‘Unruly’ Children: Historical Fieldnotes and Learning Morality in a Taiwan Village (New Departures in Anthropology) 400
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
基于可调谐半导体激光吸收光谱技术泄漏气体检测系统的研究 350
Robot-supported joining of reinforcement textiles with one-sided sewing heads 320
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3989450
求助须知:如何正确求助?哪些是违规求助? 3531621
关于积分的说明 11254315
捐赠科研通 3270207
什么是DOI,文献DOI怎么找? 1804928
邀请新用户注册赠送积分活动 882105
科研通“疑难数据库(出版商)”最低求助积分说明 809176