Water Adsorption on Kaolinite Basal and Edge Surfaces
文献类型：期刊论文
| 作者 | Zhang, Haohao; Wu, Jun; Zhang, Chao; Dong, Yi |
| 刊名 | LANGMUIR
 |
| 出版日期 | 2023-05-23 |
| 卷号 | 39期号:22页码:7539 |
| ISSN号 | 0743-7463 |
| 英文摘要 | The sequence of water adsorptionis significant to understand themechanism of clay-water interactions on clay mineral surfaces.Kaolinite is a typical non-expansive phyllosilicate clay, and itswater adsorption is generally recognized to occur on the basal surfacesof aluminum-silicate particles, whereas edge surface adsorptionis prevalently overlooked due to its complexity despite its potentiallarge surface area available for adsorption. In this study, we usedmolecular dynamics and metadynamics simulation to quantitatively assessthe free energy of water adsorption, viz., matric potential, on kaolinitefor four types of external surfaces, namely, a basal silicon-oxygen(Si-O) surface, a basal aluminum-oxygen (Al-O)surface, and edge surfaces with deprotonation and protonation. Theresults show that edge surfaces exhibit adsorption sites that aremore active with the lowest matric potential of -1.86 GPa,lower than that of basal surfaces (-0.92 GPa), due to protonationand deprotonation processes of the dangling oxygen. The adsorptionisotherm from 0.2% of relative humidity (RH) was measured and analyzedusing an augmented Brunauer-Emmet-Teller model to separatethe edge and basal surface adsorption, further verifying that edgesurface adsorption may prevail in kaolinite and occur earlier thanbase surface adsorption in RH less than 5%. |
| 学科主题 | Chemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001009830200001 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://119.78.100.198/handle/2S6PX9GI/35217]  |
| 专题 | 中科院武汉岩土力学所 |
| 作者单位 | 1.Shanghai Normal University; 2.Chinese Academy of Sciences; Wuhan Institute of Rock & Soil Mechanics, CAS; 3.Hunan University |
| 推荐引用方式 GB/T 7714 | Zhang, Haohao,Wu, Jun,Zhang, Chao,et al. Water Adsorption on Kaolinite Basal and Edge Surfaces[J]. LANGMUIR,2023,39(22):7539. |
| APA | Zhang, Haohao,Wu, Jun,Zhang, Chao,&Dong, Yi.(2023).Water Adsorption on Kaolinite Basal and Edge Surfaces.LANGMUIR,39(22),7539. |
| MLA | Zhang, Haohao,et al."Water Adsorption on Kaolinite Basal and Edge Surfaces".LANGMUIR 39.22(2023):7539. |
入库方式： OAI收割
来源：武汉岩土力学研究所
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