Profile
Dr. Tang is a Professor of Mechanical Engineering at the University of Alberta. She received her Bachelor’s degree in Engineering Mechanics from Tsinghua University (2001) and PhD in Theoretical and Applied Mechanics from Cornell University (2005). She worked as a Visiting Research Scientist in the Chemical Engineering Department at Lehigh University before joining the University of Alberta where she has been an Assistant Professor (2007-2011), Associate Professor (2011-2015), and Professor (2015-present). Dr. Tang’s research interests lie in the modeling and simulation of soft materials and interfaces, especially at micro- to nano- scales and in biomedical systems. Dr. Tang is a recipient of many awards, including a Tier 2 Canada Research Chair (2007-2018), the Adhesion Society’s Distinguished Paper Award (2006) and Outstanding Young Adhesion Scientist Award (2009), and the Martha Cook Piper Research Prize (2014). FES Funded ProjectsOutputs
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Probing the Effect of Salt on Asphaltene Aggregation in Aqueous Solutions Using Molecular Dynamics SimulationsT08-P03 University of Alberta | Activity | 2018-06-11 | | Understanding the Complex Interfacial Behaviors and Molecular Interaction Mechanisms of Asphaltenes at the Oil/Water/Solid InterfacesT08-P03 University of Alberta | Activity | 2018-10-16 | | Adsorption of Violanthrone-79-Based Model Asphaltenes on Quartz Surfaces Studied by Molecular Dynamics SimulationsT08-P03 University of Alberta | Activity | 2018-06-12 | | Probing the Effect of Salt on Asphaltene Aggregation in Aqueous Solutions Using Molecular Dynamics SimulationsT08-P03 University of Alberta | Publication | 2018-06-29 | | Understanding Adsorption of Violanthrone-79 as a Model Asphaltene Compound on Quartz Surface Using Molecular Dynamics SimulationsT08-P03 University of Alberta | Publication | 2018-11-27 | | Molecular Dynamics Study on the Mechanism of Graphene Oxide to Destabilize Oil-Water EmulsionMolecular Dynamics Study on the Mechanism of Graphene Oxide to Destabilize Oil-Water EmulsionT08-P03 University of Alberta | Publication | 2019-08-18 | | Interfacial Behavior and Interaction Mechanism of Pentol/Water Interface Stabilized with AsphaltenesInterfacial Behavior and Interaction Mechanism of Pentol/Water Interface Stabilized with AsphaltenesT08-P02, T08-P03 University of Alberta | Publication | 2019-10-01 | | Stabilization Mechanism and Chemical Demulsification of Water-in-Oil and Oil-in-Water Emulsions in Petroleum Industry: A ReviewT10-P04, T10-P04E University of Alberta | Publication | 2020-10-16 | "Duo Wang ", "Diling Yang ", "Charley Huang ", "Yueying Huang ", "Dingzheng Yang ", Hao Zhang, Liu, Q., Tang, T., Gamal El-Din, M., "Tom Kemppi ", "Basil Perdicakis ", Zeng, H. | Effect of Non-ionic Surfactants on the Adsorption of Polycyclic Aromatic Compounds at Water/Oil interface: A Molecular Simulation StudyEffect of Non-ionic Surfactants on the Adsorption of Polycyclic Aromatic Compounds at Water/Oil interface: A Molecular Simulation StudyT08-P03, T07-C01 University of Alberta | Publication | 2021-03-15 | | Synergetic Adsorption of Polymers on Montmorillonite: Insights from Molecular Dynamics SimulationsSynergetic Adsorption of Polymers on Montmorillonite: Insights from Molecular Dynamics SimulationsT08-P03 University of Alberta | Publication | 2020-08-31 | | Molecular Simulation of Folding and Aggregation of Multi-Core Polycyclic Aromatic CompoundsMolecular Simulation of Folding and Aggregation of Multi-Core Polycyclic Aromatic CompoundsT08-P03, T07-C01 University of Alberta | Publication | 2020-07-15 | | Bio-inspired, facile and scalable surface functionalization approach with small molecules for multitasking oil decontamination Bio-inspired, facile and scalable surface functionalization approach with small molecules for multitasking oil decontamination T08-P02, T08-P03 University of Alberta | Publication | 2021-05-12 | Xiaohui Mao, "Ziqian Zhao ", "Diling Yang ", "Chenyu Qiao ", "Jinglin Tan ", Liu, Q., Tang, T., Hao Zhang, Zeng, H. | Bi2O3 Nanosheets Grown on Carbon Nanofiber with Inherent Hydrophobicity for High- Performance CO2 Electroreduction in a Wide Potential WindowT02-P03 University of Alberta | Publication | 2021-10-21 | Shao-Qing Liu, "Ehsan Shahini ", "Min-Rui Gao ", "Lu Gong ", Pengfei Sui, Tang, T., Zeng, H., Luo, J. | Facile and scalable surface functionalization approach with small silane molecules for oil/water separation and demulsification of surfactant/asphaltenes-stabilized emulsionsFacile and scalable surface functionalization approach with small silane molecules for oil/water separation and demulsification of surfactant/asphaltenes-stabilized emulsions.
T08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2022-03-15 | Xiaohui Mao, "Ziqian Zhao ", "Diling Yang ", "Chenyu Qiao ", "Jinglin Tan ", Liu, Q., Tang, T., Hao Zhang, Zeng, H. | Probing the interactions between Pickering emulsion droplets stabilized with pH-responsive nanoparticlesT08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2021-06-24 | | High-efficiency and Durable Removal of Water-in-Heavy Oil Emulsions Enabled by Delignified and Carboxylated Basswood with Zwitterionic Nanohydrogel CoatingsT08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2022-04-15 | "Tao Shui ", Mingfei Pan, "Yi Lu ", "Jiawen Zhang ", "Qingxia Liu ", "Petr A.Nikrityuk ", Tang, T., Liu, Q., Zeng, H. | Understanding the Properties of Bitumen Froth from Oil Sands Surface Mining and Treatment of Water-in-oil EmulsionsT08-P02, T08-P03 University of Alberta | Publication | 2021-11-24 | "Duo Wang ", "Chenyu Qiao ", "Ziqian Zhao ", Wenshuai Yang, "Hongyun Chen ", "Taiheng Yin ", "Zhiling Yan ", "Meng Wu ", Xiaohui Mao, Camila Santander, Liu, Q., "Qingxia Liu ", Petr A Nikrityuk, Tang, T., Zeng, H. | Unravelling the Interaction of Water-in-Oil Emulsion Droplets via Molecular Simulations and Surface Force MeasurementsT08-P03 University of Alberta | Publication | 2021-07-07 | | Effect of model demulsifiers on the adsorption of model asphaltene at water/oil interface: a molecular simulation studyT08-P03 University of Alberta | Activity | 2021-06-09 | | Probing the interactions between Pickering emulsion droplets with pH-responsive nanoparticlesT08-P02, T08-P03, T07-C01 University of Alberta | Activity | 2021-06-09 | | An Ultrafast, Durable, and High-Loading Polymer Anode for Aqueous Zinc-Ion Batteries and SupercapacitorsT06-Q03 University of Alberta | Publication | 2022-04-01 | | Low bandgap carbon nitride nanoparticles incorporated in titania nanotube arrays by in situ electrophoretic anodization for photocatalytic CO 2 reductionWe report an in situ electrophoretic anodization process to realize a binary semiconductor heterojunction photocatalyst comprising green-emitting, water-soluble carbon nitride (CN) nanoparticles (NPs) embedded in TiO2 nanotube (TNT) arrays. Embedding CN inside a TiO2 matrix eliminates the possibility of the CNNPs leaching away during photocatalysis or photoelectro-chemistry. The synthesized CN exhibits visible light absorption down to 600 nm and an unusually redshifted green emission peak at 527 nm, which are attributed to a carbon rich g-C3N4 composition with a C:N ratio of ∼ 1.9 at the surface. Spectroscopy revealed the excess carbon to be both amorphous and graphitic while the structural features characteristic of g-C3N4 were preserved. Raman spectroscopy, transmission electron microscopy (TEM), electron energy-loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) analysis verified the formation of the heterostructure as well as indicated strong interaction between the CN and TiO2 in the hybrid. The CNNP@TNT hybrid demonstrated superior performance in sunlight driven photocatalytic CO2 reduction without the need for a sacrificial agent. The CO yield of photo-reduction showed a more than threefold improvement for the CNNP@TNT hybrid compared to the stand-alone TNT photocatalyst. The synergistic enhancement of photocatalytic performance emerged due to the formation of a high-quality interface between the constituent semiconductors (TiO2 and CN) that facilitated efficient charge carrier separation. Density functional theory (DFT) calculations showed the feasibility of efficient photogenerated electron-hole pair separation at the heterointerface. Molecular dynamics (MD) simulations validated the facile dispersibility of CNNPs in water and polar solvents.T12-P01, T12-P02 University of Alberta | Publication | 2023-01-01 | Kazi Alam, Narendra Chaulagain, Ehsan Shahini, Md Masud Rana, John Garcia, Navneet Kumar, Alexander E Kobryn, Sergey Gusarov, Tang, T., Shankar, K. | Liquid-phase exfoliation of graphitic carbon nitrides studied by molecular dynamics simulationHYPOTHESIS
The superiority of graphitic carbon nitride (g-C3N4) nanosheet results from its large specific surface area, which can be achieved by exfoliation of the bulk layered structure. Liquid-phase exfoliation (LPE) is the best-known method for the synthesis of two-dimensional (2D) g-C3N4 nanosheets. However, experimental investigations do not allow for a molecular-level understanding of the process. Molecular dynamics (MD) simulations are expected to provide microscopic insights and quantitative evaluation of the energy consumption during LPE, thus facilitating the search of effective solvents for the LPE of 2D materials.
SIMULATIONS
MD simulations are carried out to simulate the LPE process by performing potential of mean force calculations for the separation of two stacked g-C3N4 nanosheets. Free energy of exfoliation is evaluated and compared among nine common solvents with distinct molecular structures.
FINDINGS
The most probable path for the exfoliation process is identified. The free energy of exfoliation is found to correlate directly with the solvent free energy of a single g-C3N4 nanosheet. The solvation is enthalpy-driven and affected by the mobility of the solvent molecules around the nanosheet. Based on the MD results, several strategies are proposed to guide the selection of solvents for effective LPE.T12-P02 University of Alberta | Publication | 2023-01-01 | | Molecular Dynamics Simulation on Water/Oil Interface with Model Asphaltene Subjected to Electric FieldT08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2022-08-08 | | Effect of Salinity on Water/Oil Interface with Model Asphaltene and Non-Ionic Surfactants: Insights from Molecular SimulationsT08-P02, T08-P03 University of Alberta | Publication | 2023-02-09 | | Molecular Dynamics Simulation of Model Asphaltenes between Surfaces of Varying PolarityT08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2023-01-01 | | Unraveling the Hydrophobic Interaction Mechanisms of Hydrocarbon and Fluorinated SurfacesT08-P02, T08-P03, T07-C01 University of Alberta | Publication | 2023-04-01 | "Lu Gong ", Feiyi Wu, Wenshuai Yang, "Charley Huang ", Wenhui Li, Tang, T., Zeng, H. | Molecular Simulations on the Coalescence of Water-in-Oil Emulsion Droplets with Non-ionic Surfactant and ModelT08-P02, T08-P03 University of Alberta | Publication | 2023-02-03 | | Novel polymer nanoparticles with core-shell structure for breaking asphaltenes-stabilized W/O and O/W emulsionsT08-P02, T08-P03 University of Alberta | Publication | 2023-06-15 | | Tunning water ionicity in water-assisted settling of bituminous fine solids. T08-P02 University of Alberta | Activity | 2023-10-31 | |
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