百晓学者学者目录

宋先雨

副教授、硕导、讲师，重庆三峡学院

精选作品

期刊论文

2026

融合自适应证据的深度学习框架预测PFAS环境迁移性质

吕笑云，姜骉麟，袁果，贝怀诚，王洁，孙鹏豪，宋先雨，周楚翔，赵双良

《化工学报》

2026

Ion‐Replenishing Interlayer and Tailored Electrolyte Jointly Activate Four‐Electron Zinc–Iodine Batteries

Jie Xu, Qingyu Dai, Rui Yang, Yuanhong Yu, Xianyu Song, Donghong Wang, Lei Zhu, Xiangfeng Chu, Yongjie Cao, Yonggang Wang

Advanced Materials

DOI

2026

Structure-resolved adsorption of PFAS on humic substances: A combined study of molecular dynamics, explainable machine learning, and experiments

Yuxiang Nie, Ruipeng Lai, Huaicheng Bei, Xianyu Song, Dan Liu, Limeng Yin, S Zhao, Honglai Liu

Chemical Engineering Journal

DOI

2026

Molecular synergy and cooperative interactions in heterogeneous asphaltene aggregation: molecular dynamics insights

Wen-Jun Xiang, Xianyu Song, Yanglong Wang, Jianbo Hu, Gang Wu, Biaolin Jiang, Chuxiang Zhou, Li-Meng Yin, Shuangliang Zhao, Hong-Lai Liu

Fuel

DOI

2026

Toxicity-guided assessment of disinfection by-products via machine learning and network toxicology.

Jie Wang, Zhu-Jun Liu, Ruipeng Lai, Xianyu Song, Yu-Kun Zhang, Shuangliang Zhao, Hong-Lai Liu

Water Research

DOI

2026

Molecular dynamics insights into wettability-controlled transport in porous media

Ruipeng Lai, Yuxiang Nie, Xiao-Yun Lv, Jie Wang, Xianyu Song, Shuangliang Zhao

Capillarity

DOI

2025

Elucidating environmental fate and toxicological mechanisms of ultrashort-and short-chain PFAS: Integrating machine learning, molecular modeling, and experimental validation

Jianbo Hu, Xu Yang, Xianyu Song, Kezhong Liang, Meiying Huang, Shuangliang Zhao, Honglai Liu

Journal Of Environmental Management，Vol. 3900

DOI

2025

Mesoscopic-scale insights into cellular internalization of deformable polymeric nanoparticles: Structural heterogeneity vs networked elasticity

Xianyu Song, Yuxiang Nie, Sijia Wang, Hongchao Liu, Honglai Liu, Shuangliang Zhao

Colloids and Surfaces B Biointerfaces

DOI

2025

Deformation-Induced Enthalpy–Entropy Competition Governs Cellular Penetration of Elastic Polymer Nanoparticles: Molecular Thermodynamic–Dynamic Simulations

Xianyu Song, Ruipeng Lai, Hongchao Liu, Kezhong Liang, Sijia Wang, Honglai Liu, Shuangliang Zhao

Biomacromolecules

DOI

2025

Chelation-gated ion transport in EDTA-functionalized COF membranes: A molecular-level mechanistic study

Dao Xiang, Xianyu Song, Wenjun Xiang, Meiying Huang, Chuxiang Zhou, Shuangliang Zhao, Honglai Liu

Desalination

DOI

2025

Molecular insights into organophosphate–humic acid interactions from density functional theory and molecular dynamics simulations

Xianyu Song, Yang Xu, Ruipeng Lai, Chuxiang Zhou, Chuan Fu, Shuangliang Zhao, Honglai Liu

Journal of Molecular Liquids

DOI

2025

Defect-mediated permeation of deep eutectic solvents in cellulose crystals: A combined experimental and molecular dynamics study

Yuanhong Yu, Xianyu Song, Yanglong Wang, RuiPeng Lai, Yuxiang Nie, Wenjun Xiang, Chuxiang Zhou, Shuangliang Zhao, Honglai Liu

Carbohydrate Polymers

DOI

2025

Noncovalent Interaction Thresholds Control Translocation and Cytotoxicity: A Combined Computational–Experimental Study

Xianyu Song, Xianli Duan, Wenjun Xiang, Shuangliang Zhao

Journal of Medicinal Chemistry

DOI

2025

Optimization of chitosan-based demulsifiers via interfacial displacement: A molecular dynamics and principal component analysis approach

Yuanhong Yu, Xianyu Song, Yang Xu, Chengjie Wang, Xiaoyu Wu, Yanglong Wang, Wenjun Xiang, Shuangliang Zhao, Honglai Liu

Separation and Purification Technology

DOI

2025

A Binary Oil Displacement System Based on Dynamic Covalent Bonds of Borate Esters

Chengjie Wang, Pingli Liu, Jinzhou Zhao, Shenwen Fang, Juan Du, Xianyu Song, Xiang Chen, Guan Wang, Xuewen Ma

Springer series in geomechanics and geoengineering

DOI

2025

Amorphous polymers separate small organic molecules with switchable selective states

Jia-Ni Li, Chang-Hui Liu, Peiyao Yan, Kai-Jie Chen, Yan Jiang, Dong-Dong Liu, Huiting Shan, Xianyu Song, Bohui Lyu, Jian-Wen Jiang, Siowling Soh

Nature Communications

DOI

2025

MOF-KAN: Kolmogorov-Arnold Networks for Digital Discovery of Metal-Organic Frameworks.

Xiao-Yu Wu, Xianyu Song, Yi-Fei Yue, Rui Zheng, Jian-Wen Jiang

Journal of Physical Chemistry Letters

DOI

2025

Accurate and interpretable machine learning with pore+ descriptors for iodide capture in metal–organic frameworks

Xiao-Yu Wu, Xianyu Song, Linjiang Chen, Chun-Yi Yu, Liangdan Zhao, Mingrui Zuo, Chen-Rui Li, Heechae Choi, Jian-Wen Jiang, Li-Feng Ding

Separation and Purification Technology

DOI

2024

Topological isomerism governs asphaltene aggregation: A mechanistic study combining molecular dynamics and experiments

Chengjie Wang, Pingli Liu, Jinzhou Zhao, Jianbo Hu, Juan Du, Xiang Chen, Xianyu Song, Guan Wang, Jinming Liu, Liang He

Fuel

DOI

2024

Bioaccumulation mechanisms of perfluoroalkyl substances (PFASs) in aquatic environments: Theoretical and experimental insights

Jianbo Hu, Yang Xu, Xianyu Song, Yongtao Miao, Yuanhong Yu, Wenjun Xiang, Meiying Huang, Weirong Wu, Kezhong Liang, Shuangliang Zhao, Honglai Liu

Journal of Hazardous Materials

DOI

2024

Topological isomerism design of Demulsifiers: A fusion of molecular dynamics simulation and experiment

Chengjie Wang, Pingli Liu, Jinzhou Zhao, Juan Du, Xiang Chen, Xiaoyu Wu, Xianyu Song, Guan Wang, Jinming Liu, Yonghua Xiao

Journal of Molecular Liquids

DOI

2024

The Microscopic Mechanism of Asphaltene Deposition and Prevention of Deposition During Oil Extraction

Chengjie Wang, Pingli Liu, Jinzhou Zhao, Xianyu Song, Juan Du, Xiang Chen, Jinming Liu, Guan Wang

Springer series in geomechanics and geoengineering

DOI

2023

有机笼跨细胞膜易位行为的分子动力学模拟研究

胡建波，刘洪超，胡齐，黄美英，宋先雨，赵双良

《化工学报》

2023

Bioinspired humic acid-based membranes for water desalination: Mechanistic insights from molecular simulations

Xianyu Song, Hongchao Liu, Jianbo Hu, Yiwen Sun, Meiying Huang, Junjie Lin, Shuangliang Zhao, Honglai Liu, Jianwen Jiang

Desalination

DOI

2023

Microstructure effects on mechanical properties of network-forming polymer systems: An atomistic simulation study

Xuan Wang, Xianyu Song, Weiqiang Tang, Shuangliang Zhao, Xiaofei Xu

Chemical Engineering Science

DOI

2023

Composition effects on thermodynamic properties and interfacial structure in styrene-butadiene rubber: A combined experimental and simulation study

Ruifang Shi, Jule Ma, Xianyu Song, Bicai Zhan, Xiaofei Xu, Shuangliang Zhao, Jionghao He

Chemical Engineering Science

DOI

2022

Janus石墨烯量子点在生物膜中的输运行为：分子动力学模拟

刘洪超，陈苏航，段先力，吴凡，徐小飞，宋先雨，赵双良，刘洪来

《化工学报》

2022

Molecular dynamics simulation study on π-π stacking of Gemini surfactants in oil/water systems

Jule Ma, Peiwen Xiao, Pingmei Wang, Xue Ting Han, Jianhui Luo, Ruifang Shi, Xuan Wang, Xianyu Song, Shuangliang Zhao

Chinese Journal of Chemical Engineering

DOI

2022

Tensile performance and viscoelastic properties of rubber nanocomposites filled with silica nanoparticles: A molecular dynamics simulation study

Ruifang Shi, Xuan Wang, Xianyu Song, Bicai Zhan, Xiaofei Xu, Jionghao He, Shuangliang Zhao

Chemical Engineering Science

DOI

2022

Self-propelled cellular translocation of Janus-shaped graphene quantum dots: A molecular dynamics simulation and thermodynamic analysis

Xianyu Song, Hongchao Liu, Xianli Duan, Qi Hu, Kezhong Liang, Tingzhen Li, Shuangliang Zhao, Honglai Liu

Applied Surface Science

DOI

2022

Structural heterogeneity effects on microgel deswelling and interfacial properties: An extensive computational study

Xianyu Song, Sijia Wang, Xianli Duan, Hongchao Liu, Suhang Chen, Ting Long, Xiaofei Xu, Jianting Tang, Tingzhen Li, Shuangliang Zhao, Honglai Liu

Applied Surface Science

DOI

2022

Self-propulsion dynamics of nanosized water droplets on MoS2/graphene heterojunction surface: A molecular dynamics simulation study

Cun Hu, Xianyu Song, Jinguang Cai, Chao Lv, Ning Zeng, Aojie Liu, Linsen Zhou, Yanan Liu, Li Hu, Jiangfeng Song, Yan Chao Shi, Tao Tang

Applied Surface Science

DOI

2022

A theoretical perspective on the structure and thermodynamics of secondary organic aerosols from toluene: molecular hierarchical synergistic effects

Xianli Duan, Xianyu Song, Ruifang Shi, Xuan Wang, Suhang Chen, Shuangliang Zhao

Environmental Science Nano

DOI

2021

Towards High Performance Li–S Batteries via Sulfonate‐Rich COF‐Modified Separator

Jie Xu, Shuhao An, Xianyu Song, Yongjie Cao, Nan Wang, Xuan Qiu, Yu Zhang, Jiawei Chen, Xianli Duan, Jianhang Huang, Wei Li, Yonggang Wang

Advanced Materials

DOI

2021

Engulfing Behavior of Nanoparticles into Thermoresponsive Microgels: A Mesoscopic Simulation Study

Xianyu Song, Jianzhuang Zhou, Chongzhi Qiao, Xiaofei Xu, Shuangliang Zhao, Honglai Liu

The Journal of Physical Chemistry B

DOI

2020

PNIPAM微凝胶相变行为及界面性质介观模拟研究

宋先雨

《华东理工大学》

2020

Mechanochemical Cellular Membrane Internalization of Nanohydrogels: A Large-Scale Mesoscopic Simulation

Xianyu Song, Jule Ma, Ting Long, Xiaofei Xu, Shuangliang Zhao, Honglai Liu

ACS Applied Materials & Interfaces

DOI

2020

Multiscale molecular dynamics simulation study of polyoxyethylated alcohols self-assembly in emulsion systems

Jule Ma, Xianyu Song, Baoliang Peng, Teng Zhao, Jianhui Luo, Ruifang Shi, Shuangliang Zhao, Honglai Liu

Chemical Engineering Science

DOI

2020

The role of surface wettability on water transport through membranes

Jiabo Tao, Xianyu Song, Bo Bao, Shuangliang Zhao, Hong-Lai Liu

Chemical Engineering and Science

DOI

2020

Enhancing Gas Solubility in Nanopores: A Combined Study using Classical Density Functional Theory and Machine Learning.

Chong-Zhi Qiao, Xiaochen Yu, Xianyu Song, Teng Zhao, Xiao-Fei Xu, Shuangliang Zhao, K. Gubbins

Langmuir

DOI

2020

Microscopic insights into the intensification effect of shear fields on molecular transport across interfaces

Hongping Yu, Xianyu Song, Jianhui Luo, Guolin Zhao, Bo Bao, Bao-Liang Peng, Shuangliang Zhao

DOI

2019

Interfacial Engineering of Thermoresponsive Microgel Capsules: Polymeric Wetting vs Colloidal Adhesion

Xianyu Song, Chong-Zhi Qiao, Jiabo Tao, Bo Bao, Xia Han, Shuangliang Zhao

Macromolecules

DOI

2019

Membrane Endocytosis Pathway of Injectable Hydrogels: from Vertically Capillary Adhesion to Laterally Compressed Wrapping.

Xianyu Song, Chong-Zhi Qiao, Teng Zhao, Bo Bao, Shuangliang Zhao, Jing Xu, Hong-Lai Liu

Langmuir

DOI

2019

Molecular Dynamics Simulations Insight into Interfacial Stability and Fluidity Properties of Microemulsions.

Jule Ma, Xianyu Song, Jianhui Luo, Teng Zhao, Hongping Yu, Bao-Liang Peng, Shuangliang Zhao

Langmuir

DOI

2019

Deswelling Dynamics of Thermoresponsive Microgel Capsules and Their Ultrasensitive Sensing Applications: A Mesoscopic Simulation Study

Xianyu Song, Bo-Bo Bao, Jiabo Tao, Shuangliang Zhao, Xia Han, Hong-Lai Liu

Journal of Physical Chemistry C

DOI

2018

双亲纳米颗粒在选择性溶剂中的自组装行为:耗散粒子动力学模拟

郭浩，宋先雨，赵国林，赵双良，韩霞，刘洪来

《化工学报》

2018

Design of tunable-size 2D nanopore membranes from self-assembled amphiphilic nanosheets using dissipative particle dynamics simulations

Xianyu Song, Hao-Fei Guo, Jiabo Tao, Shuangliang Zhao, Xia Han, Hong-Lai Liu

Chemical Engineering and Science

DOI

2018

Thermostat effect on water transport dynamics across CNT membranes

Jiabo Tao, Xianyu Song, Wei Chen, Shuangliang Zhao, Hong-Lai Liu

Molecular Simulation

DOI

2018

Confinement effect on water transport in CNT membranes

Jiabo Tao, Xianyu Song, Teng Zhao, Shuangliang Zhao, Hong-Lai Liu

Chemical Engineering and Science

DOI

2018

Encapsulation of single-walled carbon nanotubes with asymmetric pyrenyl-gemini surfactants

Xianyu Song, Hao-Fei Guo, Jiabo Tao, Shuangliang Zhao, Xia Han, Hong-Lai Liu

Chemical Engineering and Science

DOI

2017

Amphiphilic nanosheet self-assembly at the water/oil interface: computer simulations.

Wen-Jun Xiang, Shuangliang Zhao, Xianyu Song, Shenwen Fang, Fen Wang, Cheng Zhong, Zhaoyan Luo

Physical Chemistry, Chemical Physics - PCCP

DOI

2017

水/油界面における両親媒性ナノシート自己集合: 計算機シミュレーション

Wen-Jun Xiang, Shuangliang Zhao, Xianyu Song, Shenwen Fang, Fen Wang, Cheng Zhong, Zhaoyan Luo

2017

Core-shell composite nanoparticles with magnetic and temperature dual stimuli-responsive properties for removing emulsified oil

M. Duan, Zi-Pei Xu, Yali Zhang, Shenwen Fang, Xianyu Song, Yan Xiong

DOI

2017

Layer-by-Layer Assembled Film of Asphaltenes/Polyacrylamide and Its Stability of Water-in-Oil Emulsions: A Combined Experimental and Simulation Study

Ming-shi Duan, Xianyu Song, Shuangliang Zhao, Shenwen Fang, Fen Wang, Cheng Zhong, Zhaoyan Luo

DOI

2016

磁化破乳剂的研究现状

陈婷，方申文，宋先雨，段明，张雅丽

《石油化工》

2016

反相破乳剂SP169及DMEA169在溶液中的聚集行为

王榕，段明，熊艳，宋先雨，方申文

《物理化学学报》

2016

原油乳状液及其破乳过程的耗散粒子动力学模拟研究

宋先雨

《西南石油大学》

2016

Concentration-induced structural transition of block polymer self-assemblies on a nanoparticle surface: computer simulation

Wen-Jun Xiang, Zhao-Ju Zhu, Xianyu Song, Cheng Zhong, Chengjie Wang, Yong-Zhang Ma

DOI

2016

Dissipative Particle Dynamics Study on the Aggregation Behavior of Asphaltenes under Shear Fields

Xianyu Song, Peng Shi, Shuangliang Zhao, Ming-shi Duan, Cheng-Jie Wang, Yong-Zhang Ma

DOI

2016

Aggregation Behaviour of Reversed Demulsifiers SP169 and DMEA169 in Aqueous Solution

Rong Wang, M. Duan, Yan Xiong, Xianyu Song, Shenwen Fang

DOI

2016

A block polyether designed quantitatively by HLD concept for recovering oil from wastewater

M. Duan, Cheng-Jie Wang, Xianyu Song, Shenwen Fang, Yong-Zhang Ma, Tao Tao

DOI

2016

廃水から油回収するためのH LD概念により定量的に設計されたブロックポリエーテル【Powered by NICT】

M. Duan, Cheng-Jie Wang, Xianyu Song, Shenwen Fang, Yong-Zhang Ma, Tao Tao

2016

Mesoscopic Simulations of Adsorption and Association of PEO-PPO-PEO Triblock Copolymers on a Hydrophobic Surface: From Mushroom Hemisphere to Rectangle Brush.

Xianyu Song, Shuangliang Zhao, Shenwen Fang, Yong-Zhang Ma, M. Duan

Langmuir

DOI

2015

pH值对原油乳状液稳定性的影响

段明，陶俊，方申文，施鹏，李珂怡，宋先雨，陶滔

《化工进展》

2015

两种嵌段聚醚对油水界面性质的影响

陶滔，段明，方申文，史群妮，宋先雨

《石油化工》

2015

环烷酸对原油乳状液稳定性影响的研究进展

宋先雨，方申文，陶俊，李珂怡，陶滔

《精细石油化工》

2015

油-水界面の性質に及ぼす二種類のブロックポリエーテルの影響【JST・京大機械翻訳】

Tao Tao, M. Duan, Shenwen Fang, Qun-Ni Shi, Xianyu Song

2015

Investigation of demulsification efficiency in water-in-crude oil emulsions using dissipative particle dynamics

Xianyu Song, Peng Shi, M. Duan, Shenwen Fang, Yong-Zhang Ma

DOI

2015

Effects of Two Block Polyethers on Properties of Oil-Water Interface

T. Tao, M. Duan, Shen-Wen Fang, Qun-Ni Shi, Xianyu Song

2014

搅拌器对丙烯酰胺/丙烯酸/2-丙烯酰胺-2-甲基丙磺酸相转变-反相乳液聚合的影响

陈凯凤，段明，方申文，李林御，宋先雨，王承杰

《石油化工》

预印本

2024

Mechanistic Insights into Bioaccumulation of Perfluoroalkyl Substances (Pfass) Partitioning From Aquatic Environment to Biological Membranes: A Theoretical and Experimental Study

Jianbo Hu, Yang Xu, Xianyu Song, Yongtao Miao, Yuanhong Yu, Wenjun Xiang, Meiying Huang, Weirong Wu, Kezhong Liang, Shuanglaing Zhao, Honglai Liu

SSRN Electronic Journal

DOI

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