Molecular Dynamics Simulation on Thickening and Solubility Properties of Novel Thickener in Supercritical Carbon Dioxide

利用分子动力学模拟研究新型增稠剂在超临界二氧化碳中的增稠和溶解性能

阅读:1

Abstract

Supercritical CO(2) has wide application in enhancing oil recovery, but the low viscosity of liquid CO(2) can lead to issues such as poor proppant-carrying ability and high filtration loss. Therefore, the addition of thickening agents to CO(2) is vital. Hydrocarbon polymers, as a class of green and sustainable materials, hold tremendous potential for acting as thickeners in supercritical CO(2) systems, and PVAc is one of the best-performing hydrocarbon thickeners. To further improve the viscosity enhancement and solubility of PVAc, here we designed a novel polymer structure, PVAO, by introducing CO(2)-affine functional groups to PVAc. Molecular dynamics simulations were adopted to analyze viscosity and relevant solubility parameters systematically. We found that PVAO exhibits superior performance, with a viscosity enhancement of 1.5 times that of PVAc in supercritical CO(2). While in the meantime, PVAO maintains better solubility characteristics than PVAc. Our findings offer insights for the future design of other high-performance polymers.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。