邓声威

本/硕博：华东理工大学；博士期间访学：约翰霍普金斯大学材料系；博后：以色列理工学院机械工程系

研究方向：聚合物及其复合材料结构-力学性能关系的理论与实验研究

本人自2017年加入浙江工业大学化工学院，在入职后的7年时间里，致力于运用计算模拟与人工智能手段，深入探究化工过程中纳微尺度扩散传递的基础机理。2024年开始，研究方向已完全转向高分子材料的应用，课题均以高分子相关实验为基础，并与产业实际需求高度契合。目前已发表SCI论文100余篇，总被引次数超过4500次，并获授权多项发明专利。

本科生课程：物理化学；无机化学实验；结构化学

研究生课程：分子模拟与机器学习

主持的国家级科研项目：

国家自然科学基金项目-企业创新发展联合基金(重点，浙工大负责人) “基于反应-扩散的PBT推进剂与衬层界面黏接强度形成机制及增强设计” 2023.1-2026.12

国家自然科学基金面上项目 “负载型纳米贵金属催化剂纳微孔道内分子扩散机制及其调控规律研究” 2022.1-2025.12 已结题

国家重点研发计划(子课题) “固废资源化”重点专项--废乘用车轮胎高效裂解与副产物综合利用技术” 2019.1-2022.12 已结题

国家自然科学基金青基 “质子交换膜燃料电池阴极催化剂层关键物系传递的多尺度模拟” 2018.1-2020.12 已结题

主持的企业委托研发项目：

聚焦于功能高分子材料与精细化学品的合成及工艺开发，合作对象涵盖医药、电子等领域，多个项目顺利结题并实现技术转化，部分成果已投入实际生产。 

授权专利及软著

1、一种光固化防静电泡棉胶带的合成工艺，专利号：ZL202110801493.9

2、一种基于静电纺丝技术的高拉伸模量聚合物纳米复合纤维的制备方法，专利号：ZL201811496271.5

3、一种耐高温光固化丙烯酸泡棉胶带的合成工艺，专利号：ZL202110801491. X

4、一种高弹性光固化丙烯酸泡棉胶带的合成工艺，专利号：ZL202110796348.6

5、一种耐高温聚氨酯型UV光减粘胶及其制备方法，专利号：ZL 2024 1 1506984.0

6、PBT叠氮推进剂聚合物交联网络力学性能预测软件V1.0，登记号：2021SR1677598

7、复合材料粘接强度预测软件V1.0，登记号:2024SR0771884

8、橡胶硫化体系力学性能预测软件V1.0，登记号：2020SR0253313

9、粘弹性聚合物复合材料力学性能预测软件V1.0，登记号:2024SR0771904

10、负载型纳米金属催化剂界面分子力场生成软件V1.0，登记号:2024SR0773053

11、交联聚合物材料应力-应变曲线预测软件V1.0，登记号: 2024SR0970564

入现职以来通讯作者论文

1. Molecular dynamics study of glass transition and uniaxial mechanical properties in PBT/Al nanocomposites for solid propellants. Computational Materials Science 2026, 261, 114334.

2.  Intensification of glycerol carbonylation with CO2 by Ce-La-Co mixed oxide catalyst coupled with NaA membrane. Chemical Engineering Science, 2025, 123102.

3.  Molecular Mechanism of Si/Al Ratios and Pore Structures Governing Efficient H2O Removal in CO2 Conversion Reactions via ZSM-5 Membranes. Industrial & Engineering Chemistry Research 2025, 64 (49), 23672-23684.

4.  Molecular diffusion mechanisms of O3, O2, and HClO for synergistic ozone and chlorine evolution. Computational and Theoretical Chemistry, 2025,115575.

5. Boosting the glycerol carbonylation performance by in situ water separation through ZSM-5 membranes with tunable permeability. Journal of Membrane Science 2025, 719, 123765.

6.  Effect of bonding agent on interfacial strength of AP/T313/PBT in PBT-based composite solid propellants by molecular dynamics simulation. Materials Today Communications 2025, 45, 112291.

7.  In-situ Water Separation Enhanced Methyl Glycolate Oxidation to Methyl Glyoxylate by Catalytic Membrane Reactor. Journal of Membrane Science, 2025. 123403.

8. Machine Learning-based High Throughput Screening for High-Stability Polyimides. Industrial & Engineering Chemistry Research. 2024. 63, 21110-21122.

9. Effect of metal ion intercalation on the gas diffusion confined in two-dimensional MXene nanosheets. Materials Today Communications 2024, 38, 107897.

10. Curing and Cross-Linking Processes in the Poly (3, 3-bis-azidomethyl oxetane)-tetrahydrofuran/Toluene Diisocyanate/Trimethylolpropane System: A Density Functional Theory and Accelerated ReaxFF Molecular Dynamics Investigation. ACS Omega 2024, 9, 30, 33153-33161

11.   A New Model of Carbon Nitride as a Substrate to Support Single Metal Atom. The Journal of Physical Chemistry C 2024, 128 (17), 7106-7114.

12.   Activation of waste tire pyrolysis carbon black by simulated fuel gas. Fullerenes, Nanotubes and Carbon Nanostructures 2023, 31 (8), 766-774.

13.  Molecular-Level Insights into Adsorption and Diffusion Properties of CO and CO2 on Pt-Supported Graphene. The Journal of Physical Chemistry C 2023, 127 (32), 16117-16124.

14. Machine Learning-Assisted Exploration of a Two-Dimensional Nanoslit for Blast Furnace Gas Separation. Industrial & Engineering Chemistry Research 2023, 62 (43), 17974-17985.

15. Effect of Cross‐Linked Structures on Mechanical Properties of Styrene‐Butadiene Rubber via Molecular Dynamics Simulation. Macromolecular Theory and Simulations 2022, 31 (2), 2100054.

16. Formation Mechanism of Monocyclic Aromatic Hydrocarbons during Pyrolysis of Styrene Butadiene Rubber in Waste Passenger Car Tires. ACS Omega 2022, 7 (47), 42890-42900.

17. Pd-Co alloy supported on TiO2 with oxygen vacancies for efficient N2 and O2 electrocatalytic reduction. Applied Surface Science 2021, 567, 150680.

18.   Curvature effects on electric-double-layer capacitance. Chinese Journal of Chemical Engineering 2021, 31, 145-152.

19. Pyrolysis of vulcanized styrene-butadiene rubber via ReaxFF molecular dynamics simulation. Chinese Journal of Chemical Engineering 2021, 31, 94-102.

20.  Sintering Rate and Mechanism of Supported Pt Nanoparticles by Multiscale Simulation. Langmuir 2021, 37 (43), 12529-12538.

21.  Meso-scale simulation on mechanism of Na+-gated water-conducting nanochannels in zeolite NaA. Journal of Membrane Science 2021, 635, 119462.

22.  Machine-learning-accelerated screening of hydrogen evolution catalysts in MBenes materials. Applied Surface Science 2020, 526, 146522.

23.   A generalized formula for two-dimensional diffusion of CO in graphene nanoslits with different Pt loadings. Green Energy & Environment 2020, 5 (3), 322-332.

24. Palladium dimer supported on Mo2CO2 (MXene) for direct methane to methanol conversion. Advanced Theory and Simulations 2019, 2 (2), 1800158.

25.   Multiscale simulation of morphology evolution of supported Pt nanoparticles via interfacial control. Langmuir 2019, 35 (19), 6393-6402.

26.   Single and double boron atoms doped nanoporous C2N–h2D electrocatalysts for highly efficient N2 reduction reaction: a density functional theory study. Nanotechnology 2019, 30 (33), 335403.

入现职以来第一作者论文

1. Sintering Kinetics and Interfacial Heat Transfer Process of Binary Alloy Nanoparticles Catalysts: Molecular Dynamics Simulation. Industrial & Engineering Chemistry Research 2024, 63, 30, 13356–13365

2. Molecular dynamics simulation of strained controlled gas diffusion in polyimide membranes. Materials Today Communications 2024, 38, 108099.

3.  Tunable mechanical properties of vulcanised styrene-butadiene rubber by regulating cross-linked molecular network structures. MolecularSimulation 2023, 49 (1), 133-140.

4.  Molecular dynamics simulation of molecular network structure and mechanical properties of polymer matrix in PBT propellant. Materials Today Communications 2023, 35, 105723.

5. Size-dependent interfacial thermal transport in supported platinum nanocatalysts. Chemical Engineering Science 2023, 269, 118456.

6.   Multiscale simulation on product distribution from pyrolysis of styrene-butadiene rubber. Polymers 2019, 11 (12), 1967.

7. Micromechanical simulation of the pore size effect on the structural stability of brittle porous materials with bicontinuous morphology. Physical Chemistry Chemical Physics 2019, 21 (24), 12895-12904.

8.  Multiscale simulation on thermal stability of supported metal nanocatalysts. Wiley Interdisciplinary Reviews: Computational Molecular Science 2019, 9 (4), e1405.

9.   A strain-controlled C2N monolayer membrane for gas separation in PEMFC application. Applied Surface Science 2018, 441, 408-414.

中国化工学会过程模拟及仿真专业委员会青年委员