Structure and crystallization behavior of aqueous KCl–MgCl2 solutions†

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Yifa Du, Yanan Wu, Xu Zhao, Jianrong Zeng, Yunxia Wang, Lingzong Meng, Hongyan Liu, Yongquan Zhou and Fayan Zhu
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Abstract

Potassium resources are abundant in the brine of chloride-type salt lakes. The main challenge in the efficient separation and extraction of potassium from salt lakes lies in the insufficient understanding of the structure and crystallization behavior of brine solutions and their correlation. In the present work, X-ray scattering (XRS) and computational simulation methods were used to study the microstructure of KCl and MgCl2 mixed solutions, including the hydration and association structures of ions in the solutions. Furthermore, infrared (IR) spectroscopy was used to further study the crystallization behavior of solution droplets. The results indicate that the hydrogen bond network structure is disrupted as the mass fraction of MgCl2 increases. The addition of MgCl2 causes Mg2+ to compete with K+ for Cl in solutions, hindering K+–Cl association and forming contact K+–Cl–Mg2+ clusters, which results in a slower precipitation and crystallization rate of mixed solutions compared with that of aqueous KCl solutions. This study is expected to provide theoretical guidance for the efficient separation and extraction process of potassium resources in salt lake brine.

Abstract Image

Abstract Image

KCl-MgCl2水溶液的结构和结晶行为
氯化盐湖的卤水中含有丰富的钾资源。从盐湖中高效分离和提取钾的主要挑战在于对卤水溶液的结构和结晶行为及其相关性认识不足。本研究采用 X 射线散射(XRS)和计算模拟方法研究了 KCl 和 MgCl2 混合溶液的微观结构,包括溶液中离子的水合和缔合结构。此外,还利用红外光谱进一步研究了溶液液滴的结晶行为。结果表明,随着氯化镁质量分数的增加,氢键网络结构被破坏。MgCl2 的加入会导致 Mg2+ 与 K+ 竞争溶液中的 Cl-,阻碍 K+-Cl- 的结合,形成接触型 K+-Cl--Mg2+ 团簇,从而导致混合溶液的沉淀和结晶速度比 KCl 水溶液慢。该研究有望为盐湖卤水中钾资源的高效分离提取过程提供理论指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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