对规模抑制的分子洞察:对石表面上的酸盐基抑制剂的分子动力学研究
Bidoor Alsaif1, Safwat Abdel-Azeim1
1Center for Integrative Petroleum Research (CIPR), College of Petroleum Engineering & Geosciences, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia.
Langmuir : the ACS journal of surfaces and colloids
|April 19, 2025
概括
缩抑制剂 (SI) 对于防止工业操作中的矿物缩至关重要. 分子动力学模拟表明,基于酸盐的SIs的性能优于基于碳酸盐的SIs,因为它们具有优越的热稳定性和较弱的吸附能力,特别是在高盐度条件下.
科学领域:
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
- 计算化学计算化学
背景情况:
- 在水处理,海水淡化和石油/天然气行业中,矿物级岩层形成带来了重大运营挑战.
- 缩抑制剂 (SIs),特别是基于酸盐和碳酸盐的缩抑制剂,广泛用于减轻缩沉积.
- 了解SI-矿物-离子相互作用是开发先进,环保规模抑制解决方案的关键.
研究的目的:
- 通过分子动力学 (MD) 模拟,研究基于酸盐的尺度抑制剂 (SIs) 在石表面上的吸附机制.
- 评估SIs在不同温度和盐度条件下的行为,包括在石纳米孔内.
- 为了比较基于酸盐的SI与基于碳酸盐的SI的性能和稳定性.
主要方法:
- 采用分子动力学 (MD) 模拟来模拟石上的SI吸附.
- 在不同温度和盐度水平下,模拟SI在散装溶液和纳米孔中的行为.
- 计算的扩散系数来评估SI的移动性.
主要成果:
- 基于酸盐的SIs与高盐分盐水具有很高的兼容性,聚合率最小.
- 在石上,SIs主要以水合外层表面复合物 (OSSC) 的形式被吸附.
- 基于酸盐的SI表现出优越的热稳定性和较弱的吸附性,与基于碳酸盐的SI相比,导致更好的性能.
结论:
- 基于酸盐的SIS比基于碳酸盐的SIS更有效,因为其增强了热稳定性和减少了储库损失.
- 盐水盐度对SI的移动性影响最小,证实了它们在充满挑战的环境中的强度.
- 来自MD模拟的原子洞察力指导着优越,可持续的规模抑制剂的开发.
相关概念视频
02:54Protein Kinases and Phosphatases
12.9K
Proteins undergo chemical modifications that trigger changes in the charge, structure, and conformation of the proteins. Phosphorylation, acetylation, glycosylation, nitrosylation, ubiquitination, lipidation, methylation, and proteolysis are various protein modifications that regulate protein activity. Such modifications are usually enzyme-driven.
Protein kinases
Many proteins in the cell are regulated by phosphorylation, the addition of a phosphate group. A family of enzymes called kinases...
Protein kinases
Many proteins in the cell are regulated by phosphorylation, the addition of a phosphate group. A family of enzymes called kinases...
12.9K
02:34Enzymes
80.1K
Inside living organisms, enzymes act as catalysts for many biochemical reactions involved in cellular metabolism. The role of enzymes is to reduce the activation energies of biochemical reactions by forming complexes with its substrates. The lowering of activation energies favor an increase in the rates of biochemical reactions.
Enzyme deficiencies can often translate into life-threatening diseases. For example, a genetic abnormality resulting in the deficiency of the enzyme G6PD...
Enzyme deficiencies can often translate into life-threatening diseases. For example, a genetic abnormality resulting in the deficiency of the enzyme G6PD...
80.1K
01:30Enzyme Inhibition
77.4K
Inhibitors are molecules that reduce enzyme activity by binding to the enzyme. In a normally functioning cell, enzymes are regulated by a variety of inhibitors. Drugs and other toxins can also inhibit enzymes. Some inhibitors bind to the enzyme’s active site, while others inhibit enzymatic activity by binding to other sites on the protein structure.
77.4K