溶液固态度对核前FeS集群的热力学稳定性的影响
Vincent F D Peters1, Janou A Koskamp1, Devis Di Tommaso2
1Department of Earth Sciences, Utrecht University, Princetonlaan 8A, 3584 CB Utrecht, The Netherlands. m.wolthers@uu.nl.
Physical chemistry chemical physics : PCCP
|January 20, 2025
概括
硫化铁 (FeS) 核化是生命起源和工业的关键. 计算分析显示,富含硫化物离子 (S(-II)) 的环境与富含铁 (Fe(II)) 的环境相比,促进了更快的FeS粒子形成.
科学领域:
- 地质化学 地质化学
- 材料科学 材料科学 材料科学
- 天体生物学 天体生物学
背景情况:
- 硫化铁 (FeS) 的形成对于理解生命的起源,工业过程和矿物质规模至关重要.
- 精确的FeS核化的机制和溶液化学的影响尚未完全理解.
- 在溶液中的铁和硫化物之间以及由此产生的FeS颗粒之间经常存在差异.
研究的目的:
- 以计算方式研究水性硫化铁 (FeS) 前核化集群的初始阶段.
- 确定不同度的铁 (II) (Fe) 和硫化物 (II) (S) -II) 对集群形成的影响.
- 为了阐明不同溶液组合下FeS形成的首选核化途径.
主要方法:
- 使用初始计算方法来建模FeS的核前集群.
- 模拟的含有过多Fe (II) 或S (II) 的水性环境.
- 分析了在各种静态度条件下集群形成的稳定性和可能性.
主要成果:
- 发现包含额外的硫化物离子 (S(-II)) 的前核化集群更有可能发生.
- 预计在度较高的环境中,FeS颗粒的形成速度较快,相比于Fe.
- 计算模型为FeS沉的初始步骤提供了洞察力.
结论:
- 富含硫化物的条件有利于形成核前集群,导致加速的FeS核形成.
- 这些发现为观察到的FeS沉率差异提供了分子层面的解释.
- 这项研究有助于更深入地了解与地球化学和材料科学相关的FeS形成.
相关概念视频
Colloidal precipitates
500
The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
500
Formation of Complex Ions
23.2K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
23.2K
Precipitate Formation and Particle Size Control
710
In precipitation gravimetry, the precipitating agent should react specifically or selectively with the analyte. While a specific reagent reacts with the analyte alone, a selective reagent can react with a limited number of chemical species.
The obtained precipitate should be either a pure substance of known composition or easily converted to one by a simple process, such as ignition or drying. In addition, the precipitate should be insoluble and easily filterable. In general, filterability...
The obtained precipitate should be either a pure substance of known composition or easily converted to one by a simple process, such as ignition or drying. In addition, the precipitate should be insoluble and easily filterable. In general, filterability...
710
Chemical and Solubility Equilibria
4.1K
The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place,...
4.1K
Energetics of Solution Formation
6.7K
The formation of a solution is an example of a spontaneous process, which is a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Formation of the solution requires the solute–solute and solvent–solvent...
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Formation of the solution requires the solute–solute and solvent–solvent...
6.7K
Complexation Equilibria: Overview
610
Complexation reactions take place when dative or coordinate covalent bonds form between metal ions and ligands. The compounds formed in these reactions are called coordination compounds. The number of bonds formed between the metal ion and the ligands is called its coordination number. Generally, most metal ions in an aqueous solution are solvated by water molecules and thus exist as aqua complexes.
The equilibrium constant of the complexation reaction is represented as the formation constant...
The equilibrium constant of the complexation reaction is represented as the formation constant...
610


