土壤固-液界面原子/离子轨道杂化效应及其环境意义
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1.西南大学资源环境学院;2.西北农林科技大学水土保持与荒漠化整治全国重点实验室;3.西北农林科技大学资源环境学院;4.重庆文理学院化学与环境工程学院

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国家重点研发计划项目(2023YFD1900300)、重庆市科委自然科学基金项目(2024NSCQ-LZX0152,CSTB2025NSCQ-LZX0021)共同资助


Effects of Atom/Ion Orbital Hybridization at the Soil Solid-Liquid Interfaces and Their Environmental Implications
Author:
Affiliation:

1.Chongqing Key Laboratory of Interface Processes and Soil Health, College of Resources and Environment, Southwest University;2.State Key Laboratory of Soil and Water Conservation and Desertification Control, Northwest A&F University, Yangling;3.College of Resources and Environment, Northwest A&F University, Yangling;4.College of Chemistry and Environmental Engineering, Chongqing University of Arts and Sciences, Yongchuan

Fund Project:

Supported by the National Key R&D Program of China (No. 2023YFD1900300),the Natural Science Foundation Project of CQ CSTC, China (Nos. 2024NSCQ-LZX0152 and CSTB2025NSCQ-LZX0021)

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    摘要:

    土壤作为一种独特的“量子力学”系统,其固-液界面存在重要的轨道杂化效应,该效应对土壤性质、过程与功能具有关键调控作用。本文基于经典界面反应理论定量解析了土壤固-液界面结构和性质,并利用量子力学方法定量表征了土壤电场中原子/离子轨道杂化特征及其对离子-颗粒与颗粒-颗粒相互作用的影响。通过矿物风化、土壤酸化、土壤重金属钝化/活化、土壤水分运动以及土壤磷迁移等典型土壤环境过程,阐明了原子/离子轨道杂化效应对上述宏观过程发生的内在关联及其调控途径,揭示了亚原子尺度轨道杂化效应→微观尺度界面反应→介观尺度土壤颗粒相互作用→宏观尺度土壤过程与功能的多尺度耦合与多过程关联机制。上述跨尺度的关联研究框架,为深入理解土壤系统功能、提升耕地质量及强化农业环境保护提供重要了理论基础。

    Abstract:

    Soil is a unique “quantum mechanics” system, and significant orbital hybridization effects occur at soil solid-liquid interfaces. Orbital hybridization effects play a critical regulatory role in soil properties, processes, and functions. However, this concept has not been given much attention in the context of soil solid-liquid interfaces. In the present study, the structure and properties of soil solid-liquid interfaces were quantitatively described based on classical interfacial reaction theory, and atom/ion orbital hybridization in the electric field at the soil particle surfaces as well as its influence on ion-particle and particle-particle interactions were characterized. The intrinsic correlation and regulatory pathways were elucidated for different soil environmental processes, such as mineral weathering, soil acidification, heavy metal passivation/activation, soil water movement, and phosphorus transport. They reveal a multi-scale coupling and multi-process linkage mechanism spanning: subatomic orbital hybridization effects → microscale interfacial reactions → mesoscale soil particle interactions → macroscale soil processes and functions. This cross-scale research framework provides a crucial theoretical foundation for advancing soil system functionality, enhancing cultivated land quality, and strengthening agricultural environmental protection. The atom/ion orbital hybridization effects at the soil solid-liquid interfaces fundamentally arise from the interactions between the electric field and atoms. Future researches should prioritize advancements in the following domains: 1) Synergistic integration of modern analytical techniques and quantum mechanical theories to elucidate surface reaction mechanisms governed by orbital hybridization; 2) Development of precise predictive models for water-soil-solute transport dynamics; 3) Revealing multiscale coupling mechanisms between microscopic soil processes and macroscopic manifestations; and 4) Establishing a quantum mechanics-based core theoretical framework for soil science.

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刘新敏,唐雨婷,胡斐南,唐颖,杜伟,丁武泉,李航.土壤固-液界面原子/离子轨道杂化效应及其环境意义[J].土壤学报,2026,63(1). DOI:10.11766/trxb202506230301 LIU Xinmin, TANG Yuting, HU Feinan, TANG Ying, DU Wei, DING Wuquan, LI Hang. Effects of Atom/Ion Orbital Hybridization at the Soil Solid-Liquid Interfaces and Their Environmental Implications[J]. Acta Pedologica Sinica,2026,63(1).

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  • 收稿日期:2025-06-23
  • 最后修改日期:2025-08-28
  • 录用日期:2025-09-12
  • 在线发布日期: 2025-09-16
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