分子模拟，多相催化反应工程，过程强化与系统集成

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期刊客座编辑，国家自然科学基金委评议人

2015年获天津市科学技术进步奖一等奖。

2018年获天津市专利金奖，一种正己烷、异己烷和苯的分离方法及设备。

2018年指导学生获天津大学优秀硕士学位论文。

2020年获天津市专利金奖，乙炔法气相生产醋酸乙烯酯的方法。

2022年指导学生获“科思化学杯”全国大学生化工短视频大赛一等奖。

2023年指导学生获天津市大学生创新创业训练项目。

1.新型双功能化离子液体的精准设计及CO2吸收性能的理论设计评价方法（国家自然科学基 金）

2.醋酸体系汽液相平衡的分子模拟研究（国家自然科学基金）

3.离子液体体系的热力学性质预测

4.新型阻燃环氧树脂复合材料研究

5.30万吨/年HPPO废水回收醇醚工艺包开发

6.乙烯羰基合成制甲基丙烯酸及酯成套技术开发

7.稀硫酸的提纯及叔丁醇的回收

8.醋酐等溶剂分离回收技术

9三羟甲基丙烷副产轻组分分离三羟甲基丙烷环状缩甲醛、二羟甲基丙烷研究项目

10.三聚氰胺聚磷酸盐复配阻燃剂的工业化技术优化设计

11.间歇

[1] SiO2‑Supported DMDAAC-Modified Heteropoly Acid as Highly Active and Stability Catalysts for Methacrolein Oxidation, Ind. Eng. Chem. Res. 2024, 63, 13503−13513.

[2] Multi-molar absorption of CO2 by a novel dual-functionalized ionic liquid solution: Experimental and DFT mechanistic study, CARBON. CAPTURE. SCI. T., 2024, 12:100222.

[3] Insights into the mechanism of the solvolysis of propylene oxide over titanium silicalite-1: a theoretical study, Phys. Chem. Chem. Phys., 2023, 25, 21358.

[4] Polydopamine modified heteropolyacids catalyst for methacrolein oxidation: Organic ammonia functionalized and regulation of morphology, Molecular Catalysis, 2023, 550: 113571.

[5]Dendritic polyamide-amine modified phosphomolybdovanadic hybrid microspheres as a catalyst for methacrolein to methacrylic acid, Catalysis Science & Technology, 2023, 13: 887.

[6] Effect of the bipodal Ti species on activity and selectivity of propylene epoxidation with H2O2 over TS-1: A theoretical study, Molecular Catalysis, 2023, 543: 113147

[7] Kaolin supported heteropoly acid catalysts for methacrolein oxidation: Insights into the carrier acidity effect on active components, Applied Catalysis A, General, 2023, 649, 118942.

[8] A review on titanosilicate-1 (TS-1) catalysts: Research progress of regulating titanium species, Coordination Chemistry Reviews, 2023, 476: 214931

[9] Crystal Facet Structure Dependence and Promising Pd-Based Catalytic Materials for Resistance toward Deactivation and Catalytic Performance in Direct Oxidative Esterification, ACS Appl. Mater. Interfaces, 2022, 14: 9763.

[10] Insight into the dual action mechanism of 3V-PPh3 polymers as carriers and ligands in the Rh/3V-PPh3 heterogeneous catalytic hydroformylation of ethylene to propionaldehyde, PHYS CHEM CHEM PHYS, 2022, 24: 9673.

[11] Design of novel dual functional ionic liquids and DFT study on their CO2 absorption mechanism, J MOL LIQ, 2022, 366, 120340

[12]Heterogeneous ethylene hydroformylation on polymer supported Rh-based catalysts: a DFT analysis of the mechanism and Rh–P effect, CATAL SCI TECHNOL, 2022, 12(22): 6740.

[13]DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids, J PHYS CHEM B, 2021, 125: 1416.

[14]Fast Track to Acetate‑Based Ionic Liquids: Preparation, Properties and Application in Energy and Petrochemical Fields, TOPICS CURR CHEM, 2021, 379: 2

[15] Experimental data and modeling for excess enthalpies of 2-Pentanol with n-alkanes (C7–C9) at T = (293.15, 298.15 and 303.15) K, CHINESE J CHEM ENG, 2020, 28: 1661.

[16]Electronic-level insight into the weak interactions of ion pairs in acetate anion-based ionic liquids, J MOL LIQ, 2020, 303: 112668.

[17]Insight into the effect of Pd and Pd3Pb surface structure on activation of reactant O2 and product H2O in direct oxidative esterifification, APPL. SURF. SCI., 2020, 500: 143852.

[18] Insight into the separation mechanism of acetate anion-based ionic liquids on CO2 and N2: A multi-scale simulation study, J MOL LIQ, 2020, 320: 114408.

[19]Insight into the effect of promoter Pb in Pb-Pd catalyst on methyl methacrylate formation via direct oxidative esterification: A DFT study, APPL. SURF. SCI., 2020, 510: 145320.

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