Numerical Study of Mineral Nucleation and Growth on a Substrate
文献类型：期刊论文
| 作者 | Yang FC(杨丰畅)1,2; Yuan, Ke2; Stack, Andrew G.2; Starchenko, Vitalii2 |
| 刊名 | ACS EARTH AND SPACE CHEMISTRY
 |
| 出版日期 | 2022-06-09 |
| 页码 | 11 |
| ISSN号 | 2472-3452 |
| 关键词 | crystal nucleation crystal growth mineral precipitation pore-scale modeling reactive transport modeling |
| DOI | 10.1021/acsearthspacechem.1c00376 |
| 通讯作者 | Yang, Fengchang(yangfengchang@imech.ac.cn) ; Starchenko, Vitalii(starchenkov@ornl.gov) |
| 英文摘要 | Nucleation and growth processes of minerals and other crystals can significantly affect one another due to the transport limitations and local depletion of reactive ions in the solution. Most numerical models and experimental measurements have typically focused on either growth or nucleation, but not both. In this work, we incorporate a heterogeneous nucleation process based on classical nucleation theory into a microcontinuum model that implements the Darcy-Brinkman-Stokes approach to study the interplay between nucleation and crystal growth on a substrate in diffusive systems. We demonstrate how the Damko??hler number (reaction rate) and nucleation rate prefactor change the effective nucleation rate on a substrate. Higher surface growth rates deplete the solute concentration around the nuclei that appear initially on the substrate, creating islands that screen against further nucleation. The model predicts that measured nucleation rates may be affected by the history of crystal nucleation on the substrate. In the extreme case of high growth rates relative to diffusion, it predicts that the rate of subsequent nucleation is limited by reactant depletion. We introduce a nondimensional number alpha to represent the relation between surface propagation rate during growth and the heterogeneous nucleation rate. We show that it is important to control Damko??hler number and alpha to achieve similar precipitation regimes at different reaction and nucleation rates. We suggest that the observed universality can guide the interpretation of experimental results on nucleation rates, since matching experiment can be achieved by tuning transport, reaction, and nucleation parameters simultaneously. In addition, we show how the bulk solution concentration affects the structure and topology of precipitation on a substrate. |
| 分类号 | 二类 |
| WOS关键词 | HETEROGENEOUS NUCLEATION ; BARIUM-SULFATE ; PRECIPITATION ; TRANSPORT ; KINETICS ; WATER ; CRYSTALLIZATION ; DISSOLUTION ; CACO3 |
| 资助项目 | U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division ; Office of Science of the U.S. Department of Energy[DE-AC05-00OR22725] ; National Energy Research Scientific Computing Center (NERSC) clusters, a U.S. Department of Energy Office of Science User Facility[DE-AC02-05CH11231] |
| WOS研究方向 | Chemistry ; Geochemistry & Geophysics |
| 语种 | 英语 |
| WOS记录号 | WOS:000819599200001 |
| 资助机构 | U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division ; Office of Science of the U.S. Department of Energy ; National Energy Research Scientific Computing Center (NERSC) clusters, a U.S. Department of Energy Office of Science User Facility |
| 其他责任者 | Yang, Fengchang ; Starchenko, Vitalii |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/89724]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Mech, 15 Beisihuanxi Rd, Beijing 100190, Peoples R China 2.Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA; |
| 推荐引用方式 GB/T 7714 | Yang FC,Yuan, Ke,Stack, Andrew G.,et al. Numerical Study of Mineral Nucleation and Growth on a Substrate[J]. ACS EARTH AND SPACE CHEMISTRY,2022:11. |
| APA | 杨丰畅,Yuan, Ke,Stack, Andrew G.,&Starchenko, Vitalii.(2022).Numerical Study of Mineral Nucleation and Growth on a Substrate.ACS EARTH AND SPACE CHEMISTRY,11. |
| MLA | 杨丰畅,et al."Numerical Study of Mineral Nucleation and Growth on a Substrate".ACS EARTH AND SPACE CHEMISTRY (2022):11. |
入库方式： OAI收割
来源：力学研究所
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