55. Hao Xiong, Deepak Devegowda, Liangliang Huang, "EOR Solvent-Oil Interaction in Clay-Hosted Pores: Insights from Molecular Dynamics Simulations", Fuel, 2019, accepted.

54. Xiaobao Li, Yanian Gao, Xiaolong Zhou, LiCheng Li, Liangliang Huang, Judi Ye, Tianyang Zhang, "Nano-ZnO/Regenerated Cellulose Films Prepared by Low-temperature Hydrothermal Decomposition of Zn5(OH)8Cl2·H2O from Cellulose-ZnCl2 Aqueous Solution", Materials Letters, 2019, 245(15), 82-85.

53. Li Li, Guobing Zhou, Zhen Yang, Fang Fang, Qi Qiao, Na Hu, Liangliang Huang, Xiangshu Chen, "Molecular-Level Understanding of Translational and Rotational Motions of C2H6, C3H8, n-C4H10 and Their Binary Mixtures with CO2 in ZIF-10", Journal of Chemical & Engineering Data, 2019, 64(2), 484-496 (Supplementary Cover).


52. Xiaolong Zhou, Xiaobao Li, Yanian Gao, Licheng Li, Liangliang Huang and Judi Ye, "Preparation and Characterization of 2D ZnO Nanosheets/Regenerated Cellulose Photocatalytic Composite Thin Films by A Two-Step Synthesis Method", Materials Letters, 2019, 234(1), 26-29.

51. Qi Qiao, Chang Liu, Wei Gao and Liangliang Huang, "Graphene Oxide Modele with Desirable Structural and Chemcial Properties", Carbon, 2018, 149, 566-577.

50. Li Liu, Fan Pan, Chang Liu, Liangliang Huang, Wei Li and Xiaohua Lu, "TiO2 Nanofoam-Nanotube Array for Surface-Enhanced Raman Scattering", ACS Applied Nano Materials, 2018, 1(12), 6563-6566.

49. Wei Cao, Liangliang Huang, Ming Ma, Linghong Lu and Xiaohua Lu, "Water in Narrow Carbon Nanotubes: Roughness Promoted Diffusion Transition", Journal of Physical Chemistry C, 2018, 122(33), 19124-19132.

48. Jinxia Zhou, Liangliang Huang, Wei Yan, Jun Li, Chang Liu and Xiaohua Lu, "Theoretical Study of the Mechanism for CO2 Hydrogenation to Methanol Catalyzed by trans-RuH2(CO)(dpa)", Catalysts, 2018, 8(6), 244.

47. Rong An, Guobing Zhou, Yudan Zhu, Wei Zhu, Liangliang Huang, Faiz Ullah Shah, "Friction of Ionic Liquid-Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence", Advanced Materials Interfaces, 2018, 5(14), 1800263.

46. Lu Tan, Liangliang Huang, Yingchun Liu and Qi Wang, "Augmented Pairwise Additive Interaction Model for Lateral Adsorbate Interactions: the NO-CO Reaction System on Rh(100) and Rh(111)", Langmuir, 2018, 34(18), 5174-5183.

45. Guobing Zhou, Chang Liu and Liangliang Huang, "Molecular Dynamics Simulation of First Adsorbed Water Layer at Titanium Dioxide Surfaces", Journal of Chemical & Engineering Data, 2018, 63(7), 2420-2429.

44. Lu Tan, Liangliang Huang, Qi Wang and Yingchun Liu, "Detailed Mechanism of the NO + CO Reaction on Rh(100) and Rh(111): A First-Principles Study", Applied Surface Science, 2018, 444(30), 276-286.

43. Keith E. Gubbins, Kai Gu, Liangliang Huang, J. Matthew Mansell, Erik E. Santiso, Kaihang Shi, Małgorzata Śliwińska-Bartkowiak and Deepti Srivastava, "Surface-Driven High Pressure Processing", Engineering, 2018, 4(3), 311-320.

42. Licheng Li, Hanqin Yue, Shanshan Chen, Liangliang Huang, Xiaobao Li, Zhuhong Yang, Xiaohua Lu, "Interfacial Engineering of NiMo/Mesoporous TiO2 Catalyst with Carbon for Enhanced Hydrodesulfurization Performance", Catalysis Letters, 2018, 148(3) 992-1002.

41. Mohamed Mehana, Liangliang Huang and Mashhad Fahes, "The Density of Oil-Gas Mixtures: Insights from Molecular Simulations", SPE Journal, 2018, accepted. DOI: 10.2118/187297-PA


40. Dongxue Li, Kiros Hagos, Liangliang Huang, Xiaohua Lu, Chang Liu and Hongliang Qian, "Self-Propagating High-Temperature Synthesis of Potassium Hexatitanate Whiskers", Ceramics International, 2017, 43(17), 15505-15509.

39. Yihui Dong, Rong An, Shuangliang Zhao, Wei Cao, Liangliang Huang, Wei Zhuang, Linghong Lu and Xiaohua Lu, "Molecular Interactions of Protein with TiO2 by AFM Measured Adhesion Force", Langmuir, 2017, 33 (42), 11626–11634.

38. Lu Tan, Liangliang Huang, Qi Wang, Yingchun Liu, "A First Principles Study on O2 Adsorption and Dissociation Processes over Rh(100) and Rh(111) Surfaces", Langmuir, 2017, 33 (42), 11156–11163.

37. Li Li, Deshuai Yang, Trevor R. Fisher, Qi Qiao, Zhen Yang, Na Hu, Xiangshu Chen and Liangliang Huang, "Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond", Langmuir, 2017, 33 (42), 11543–11553.

36. Rong An, Liangliang Huang, Kenneth P. Mineart, Yihui Dong, Richard J. Spontak and Keith E. Gubbins, "Adhesion and Friction in Polymer Films on Solid Substrates: Conformal Sites Analysis and Corresponding Surface Measurements", Soft Matter, 2017, 13, 3492-3505. (Back cover)

35. Wei Cao, Linghong Lu, Musen Zhou, Garrett T. Tow, Liangliang Huang, Tingting Yang and Xiaohua Lu, "Hydrophilicity Effect on CO2/CH4 Separation using Carbon Nanotube Membranes: Insights from Molecular Simulation", Molecular Simulation, 2017, 43, 502-509.

34. Fangjia Fu, Yunzhi Li, Zhen Yang, Guobing Zhou, Yiping Huang, Zheng Wan, Xiangshu Chen, Na Hu, Wei Li and Liangliang Huang, "Molecular-Level Insights into Size-Dependent Stabilization Mechanism of Gold Nanoparticles in 1-Butyl-3-methylimidazoliun Tetrafluoroborate Ionic Liquid", J. Phys. Chem. C, 2017, 121(1), 523-532.


33. Wei Cao, Linghong Lu, Liangliang Huang, Yihui Dong and Xiaohua Lu, "Molecular Behavior of Water on Titanium Dioxide Nanotubes: A Molecular Dynamics Simulation Study", J. Chem. Eng. Data, 2016, 61(12), 4131-4138.

32. Luchao Jin, Ahmad Jamili, Liangliang Huang and Felipe Perez, "Modeling the Mechanism of Clay Damage by Molecular Dynamics Simulation", Geofluids, 2016, article ID: 1747068.

31. Yaofeng Hu, Liangliang Huang, Shuangliang Zhao, Honglai Liu and Keith E. Gubbins, "Effects of Confinement in Nano-Porous Materials on the Solubility of a Supercritical Gas", Molecular Physics, 2016, 114(22), 3294-3306.

30. Jing Zheng, Junqiao Zhang, Lu Tan, Debing Li, Liangliang Huang, Qi Wang and Yingchun Liu, "Effects of Aspect Ratio on Water Immersion into Deep Silica Nanoholes", Langmuir, 2016, 32(34), 8759-8766.

29. Wei Cao, Garrett M. Tow, Linghong Lu, Liangliang Huang and Xiaohua Lu, "Diffusion of CO2/CH4 confined in Narrow Carbon Nanotube Bundles", Molecular Physics, 2016, 114(16-17), 2530-2540.

28. Chang Liu, Yanhua Guo, Qiliang Hong, Chao Rao, Haijuan Zhang, Yihui Dong, Liangliang Huang, Xiaohua Lu and Ningzhong Bao, "Bovine Serum Albumin Adsorption in Mesoporous Titanium Dioxide: Pore Size and Pore Chemistry Effect", Langmuir, 2016. 32(16), 3995-4003.

27. Xiaobao Li, Xue Zhang, Licheng Li, Liangliang Huang, Wei Zhang, Judi Ye and Jianguo Hong, "Low-Temperature Hydrothermal Synthesis of ZnO/Regenerated Cellulose Nanocomposite", Materials Letters, 2016, 175, 122-125.

26. Guobing Zhou, Yunzhi Li, Zhen Yang, Fangjia Fu, Yiping Huang, Zheng Wan, Li Li, Xiangshu Chen, Na Hu and Liangliang Huang, "Structural Properties and Vibrational Spectra of Ethylammonium Nitrate Ionic Liquid Confined in Single-Walled Carbon Nanotubes", J. Phys. Chem. C, 2016, 120(9), 5033-5041.

25. Rong An, Liangliang Huang, Yun Long, Berc Kalanyan, Xiaohua Lu and Keith E Gubbins, "Liquid-Solid Nano-friction and Interfacial Wetting", Langmuir, 2016, 32(3), 743-750.

24. Chang Liu, Jun Wang, Xiaoyan Ji, Liangliang Huang and Xiaohua Lu, "The Biomethane Producing Potential in China: A Theoretical and Practical Estimation", Chinese Journal of Chemical Engineering, 2016, 24(7), 920-928.

23. Xiaojing Guo, Guozhong Wu, Cheng Li, Hengfeng Gong, Jiangtao Hu, Chan Jin, Liangliang Huang and Ping Huai, "DFT Investigations of Uranium Complexation with Amidoxime-, Carboxyl- and Mixed Amidoxime/Carboxyl-based Host Architectures for Sequestering Uranium from Seawater", Inorganica Chimica Acta., 2016, 441, 117-125.


22. Chang Liu, Nanhua Wu, Jun Wang, Liangliang Huang and Xiaohua Lu, "Determination of the Ion Exchange Process of K2Ti4O9 Fibers at Constant pH and Modeling with Statistical Rate Theory", RSC Adv., 2015, 5, 73474-73480.

21. Xiaojing Guo, Liangliang Huang, Cheng Li, Jiangtao Hu, Guozhong Wu and Ping Huai, "Sequestering Uranium from UO2(CO3)34- in Seawater with Amine Ligands: Density Functional Theory Calculations", Phys. Chem. Chem. Phys., 2015, 17, 14662-14673.

20. Liangliang Huang and Keith E. Gubbins, "Ammonia Dissociation on Graphene Oxide: An ab initio Density Functional Theory Calculation", Z. Phys. Chem., 2015, 229, 1211- 1223.


19. Liangliang Huang, Keith E. Gubbins, Licheng Li and Xiaohua Lu, "Water on Titanium Dioxide Surface: A Revisiting by Reactive Molecular Dynamics Simulations", Langmuir, 2014, 30, 14832.

18. Long Chen, Liangliang Huang and Jiahua Zhu, "Stitch Graphene Oxide Sheets into Membrane at Liquid/Liquid Interface", Chem. Commun., 2014, 50, 15944.

(1-17 were published before joining OU)

17. Wei Cao, Linghong Lu, Liangliang Huang, Shanshan Wang and Yudan Zhu, "Molecular Simulations on Diameter Effect of Carbon Nanotube for Separation of CO2/CH4", CIESC J., 2014, 65, 1736.


16. Liangliang Huang, Mykola Seredych, Teresa J. Bandosz, Adri C. T. van Duin, Xiaohua Lu and Keith E. Gubbins, "Controllable Atomistic Graphene Oxide Model and its Application in Hydrogen Sulfide Removal", J. Chem. Phys., 2013, 139, 194707.

15. Liangliang Huang, Teresa J. Bandosz, Kaushik L. Joshi, Adri C. T. van Duin, and Keith E. Gubbins, "Reactive Adsorption of Ammonia and Ammonia/Water on CuBTC Metal-Organic Framework: a ReaxFF Molecular Dynamics Simulation", J. Chem. Phys., 2013, 138, 034102.


14. Liangliang Huang, Kaushik L. Joshi, Adri C. T. van Duin, Teresa J. Bandosz, and Keith E. Gubbins, "ReaxFF Molecular Dynamics Simulation of Thermal Stability of a Cu3(BTC)2 Metal-Organic Framework", Phys. Chem. Chem. Phys., 2012, 14, 11327.


13. Camille Petit, Liangliang Huang, Jacek Jagiello, Jeffrey Kenvin, Keith E. Gubbins, and Teresa J. Bandosz, "Towards Understanding Reactive Adsorption of Ammonia on Cu-MOF/Graphite Oxide Nanocomposites", Langmuir, 2011, 27, 13043.

12. M. Jazdzewska, M. Sliwinska-Bartkowiak, Anatoly Beskrovny, Sergey G. Vasiloskly, Siu-Wa Ting, Kwong-Yu Chan, Liangliang Huang, and Keith. E. Gubbins, "Novel Ice Structures in Carbon Nanopores: Pressure Enhancement Effect of Confinement", Phys. Chem. Chem. Phys., 2011, 13, 9008.


11. M. Sliwinska-Bartkowiak, M. Jazdzewska, Keith E. Gubbins and Liangliang Huang, "Melting Behavior of Bromobenzene within Carbon Nanotubes", J. Chem. Eng. Data, 2010, 55, 4183.


10. M. Sliwinska-Bartkowiak, M. Jazdzewska, Liangliang Huang and Keith E. Gubbins, "Melting Behavior of Water in Cylindrical Pores: Carbon Nanotubes and Silica Glasses", Phys. Chem. Chem. Phys., 2008, 10, 4909.

9. Qing Shao, Liangliang Huang, Jian Zhou, Linghong Lu, Luzheng Zhang, Xiaohua Lu, Shaoyi Jiang, Keith E. Gubbins, and Wenfeng Shen, "Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes", Phys. Chem. Chem. Phys., 2008, 10,1896.


8. Qing Shao, Liangliang Huang, Xiaohua Lu, Linghong Lu, Yudan Zhu, and Wenfeng Shen, "Molecular simulation study of the structure and diffusion of ethanol molecules confined in carbon nanotubes", Acta. Chimica. Sinica., 2007, 65, 2217.

7. Linghong Lu, Qing Shao, Liangliang Huang and Xiaohua Lu, "Simulation of adsorption and separation of ethanol–water mixture with zeolite and carbon nanotube", Fluid Phase Equilibria, 2007, 261, 191.

6. Qing Shao, Liangliang Huang, Jan Zhou, Linghong Lu, Luzheng Zhang, Xiaohua Lu, Shaoyi Jiang, Keith E. Gubbins, Yudan Zhu and Wenfeng Shen, "Molecular dynamics study on diameter effect in structure of ethanol molecules confined in single-walled carbon nanotubes", J. Phys. Chem. C, 2007, 111, 15677.

5. Linghong Lu, Xiaohua Lu, Yuping Chen, Liangliang Huang, Qing Shao and Qi Wang, "Monte Carlo simulation of adsorption of binary and quaternary alkane isomers mixtures in zeolites: Effect of pore size and structure", Fluid Phase Equilibria, 2007, 259, 135.

4. Yuping Chen, Linghong Lu, Qing Shao, Liangliang Huang, and Xiaohua Lu, "Adsorption and Diffusion of Alkanes in Mordenite", Acta Physico-Chimica Sinica, 2007, 23, 905.

3. Liangliang Huang, Luzheng Zhang, Qing Shao, Jun Wang, Linghong Lu, Xiaohua Lu, Shaoyi Jiang, and Wenfeng Shen, "Simulations of Binary Mixture Adsorption of Carbon Dioxide and Methane in Carbon Nanotubes: Temperature, Pressure, and Pore Size Effects", J. Phys. Chem. C, 2007, 111, 11912.


2. Liangliang Huang, Luzheng Zhang, Qing Shao, Jun Wang, Linghong Lu, Xiaohua Lu, Shaoyi Jiang, and Wenfeng Shen, "Molecular Dynamics Simulation Study of the Structural Characteristics of Water Molecules Confined in Functionalized Carbon Nanotubes", J. Phys. Chem. B, 2006, 110, 25761.

1. Liangliang Huang, Qing Shao, Linghong Lu, Xiaohua Lu, Luzheng Zhang, Jun Wang, and Shaoyi Jiang, "Helicity and Temperature Effects on Static Properties of Water Molecules Confined in Modified Carbon Nanotubes", Phys. Chem. Chem. Phys., 2006, 8, 3836.
The Huang Group at The University of Oklahoma
@ The Huang Group
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