Article
Physics, Fluids & Plasmas
Ryo Yamada, Munekazu Ohno
Summary: Recently, the phase-field crystal method has gained attention for its ability to simulate the behavior of atoms in a system over diffusive timescales. In this study, a new atomistic simulation model called the continuous cluster-activation method (CAM) was proposed, which extends the previous discrete model to continuous space. This continuous CAM can effectively simulate various physical phenomena on diffusive timescales and utilizes well-defined atomistic properties as input parameters, such as interatomic interaction energies. Its versatility was demonstrated through simulations of crystal growth, homogeneous nucleation, and grain boundary formation.
Article
Multidisciplinary Sciences
Zezhong Xiang, Jin Li, Peng You, Linbo Han, Mingxia Qiu, Gengliang Chen, Yu He, Songqiang Liang, Boyuan Xiang, Yaorong Su, Hongyu An, Shunpu Li
Summary: Regular patterns can be spontaneously generated in uphill-diffusion solution systems without a chemical reaction process, as observed through in-situ and ex-situ observations. These patterns can be condensed onto substrates to form structured micro/nanomaterials and have potential applications. This finding is important for understanding pattern formation in nature.
NATURE COMMUNICATIONS
(2022)
Review
Chemistry, Multidisciplinary
Hongjian Wang, Meidi Wang, Xu Liang, Jinqiu Yuan, Hao Yang, Shaoyu Wang, Yanxiong Ren, Hong Wu, Fusheng Pan, Zhongyi Jiang
Summary: Organic molecular sieve membranes (OMSMs) show great potential for molecular separations by precise construction of membrane structures and efficient intensification of membrane processes, integrating advantages of organic materials and inorganic molecular sieve membranes. The review provides insights into the design principles, assembly methods, mass transport mechanisms, and applications of OMSMs in gas and liquid molecular mixture separations, while also discussing challenges and future perspectives in the field.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Nanoscience & Nanotechnology
Xinying Jia, Hailan Ji, Ganwei Zhang, Jiale Xing, Shusu Shen, Xiaoji Zhou, Suling Sun, Xu Wu, Danfeng Yu, Ian Wyman
Summary: A thermoresponsive membrane was prepared by blending a diblock copolymer containing a UCST polymer chain with PVDF, showing smart self-cleaning behavior in response to temperature changes. The membrane demonstrated successful preparation and unique self-cleaning performance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Biochemistry & Molecular Biology
Ismail Abdulazeez, Billel Salhi, Asma M. Elsharif, Muhammad S. Ahmad, Nadeem Baig, Mahmoud M. Abdelnaby
Summary: The separation of oil/water emulsions has long been a focus due to their negative environmental impacts. Polyvinylidene fluoride (PVDF) membranes have advantages in terms of fabrication ease, high selectivity, and fair pore distribution. However, PVDF membranes are hydrophobic and prone to fouling, leading to a decline in flux. Adding wettable substrates during fabrication can improve fouling resistance.
Article
Engineering, Chemical
Dong Zou, Hyun Woo Kim, Seong Min Jeon, Young Moo Lee
Summary: This study investigates the fabrication of PVDF/PSF hollow-fiber membranes with high mechanical strength and satisfactory water permeance using a green technique. The results show that hydrophobic coating fluid leads to higher water permeance, and hydrophobic modification improves the performance for separation of saline water.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Multidisciplinary Sciences
Rebecca K. Lindsey, Nir Goldman, Laurence E. Fried, Sorin Bastea
Summary: This study employs machine-learned reactive interatomic potentials to perform large-scale simulations of nanocarbon formation from prototypical shocked C/O-containing precursor, providing direct insight into the carbon condensation process and suggesting the potential use of simulations as design tools for new nanomaterials.
NATURE COMMUNICATIONS
(2022)
Review
Chemistry, Multidisciplinary
Haozhen Dou, Mi Xu, Baoyu Wang, Zhen Zhang, Guobin Wen, Yun Zheng, Dan Luo, Lei Zhao, Aiping Yu, Luhong Zhang, Zhongyi Jiang, Zhongwei Chen
Summary: Microporous framework membranes, including MOF membranes and COF membranes, offer great potential to address the tradeoff between membrane permeability and selectivity, making them promising candidates for future membrane technology. The past five years have seen a surge in novel membrane materials and applications in this field.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Chemistry, Applied
Soudeh Almaie, Vahid Vatanpour, Mohammad Hossein Rasoulifard, Mir Saeed Seyed Dorraji
Summary: This study synthesized novel PVDF membranes with negatively charged amphiphilic copolymer additives and investigated their properties. The modified membranes showed improved pure water flux, flux recovery ratio, and antifouling performance compared to the original PVDF membranes. The synergistic effects of hydrogen bonding and the electrostatic repulsion of negatively charged groups were attributed to the enhanced performance of the copolymerized blended membranes.
REACTIVE & FUNCTIONAL POLYMERS
(2022)
Article
Chemistry, Multidisciplinary
Steven L. Regen
Summary: Interest in gas separation membranes has increased due to climate change. This Perspective highlights two recent developments that have significant implications for the CO2/N-2 problem and layer-by-layer films, and also mentions past efforts in creating hyperthin membranes for gas separations.
Article
Chemistry, Physical
Matthew Jones, Nigel Clarke
Summary: By utilizing tools from morphological image analysis, spinodal decomposition microstructures were characterized by their Minkowski functionals to find a correlation with data from scattering experiments. Machine learning in the form of Gaussian process regression on data derived from numerical simulations of spinodal decomposition in polymer blends was employed, which showed a strong correlation between the scattering data and the Minkowski functionals.
Article
Chemistry, Physical
Ivan Palaia, Andela Saric
Summary: Cells can induce the formation of condensates and liquid droplets by varying the concentration of molecules in the cytoplasm or on the membrane. The size and growth rate of the clusters are controlled by concentrations, valence, and bond strength. If one species is in large excess, it saturates the binding sites of the other species, leading to kinetically arrested cluster coarsening and effective size selection.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Engineering, Chemical
Xiang Zheng, Yichen Chen, Libing Zheng, Rong Cheng, Helin Hua
Summary: This study evaluated the feasibility of using aged RO membranes in NF/UF process, with ultraviolet irradiation used to simulate the aging process. The results showed that aged membranes maintained high virus removal rate, ensuring the biosafety of the permeate.
Article
Mechanics
Herve Henry
Summary: The effect of buoyant forces on viscous coarsening is studied numerically. It is found that buoyant forces induce a vertical flow scaling with the Stokes velocity at any time. Below a certain threshold, this does not cause notable changes in the morphology of the coarsening microstructure. However, above the threshold, the pattern evolves towards a quasi 2D structure and coarsening ceases. The characteristic length is shown to scale with the square root of gamma/(g delta rho), where gamma is the surface tension and delta rho is the mass density difference between the phases.
Article
Engineering, Chemical
Xiang Zheng, Yichen Chen, Libing Zheng, Rong Cheng, Helin Hua
Summary: This study evaluated the feasibility of using aged RO membranes in NF/UF process and simulated the aging process using UV irradiation. It was found that the aged membrane maintained good virus removal rate and high pure water permeability within a certain time range, but had weaker salt rejection ability.
Article
Chemistry, Multidisciplinary
Nitumani Das, Ratul Paul, Rupak Chatterjee, Digambar Balaji Shinde, Zhiping Lai, Asim Bhaumik, John Mondal
Summary: In this study, two heteroatom-rich covalent organic frameworks (COF), PD-COF and TF-COF, were designed and synthesized to investigate their effects on CO2 adsorption capacity and CO2/N-2 selectivity. It was found that PD-COF exhibited higher CO2 adsorption capacity and CO2/N-2 selectivity compared to TF-COF, which can be attributed to its larger specific surface area and micropore volume.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Yi-Ming Gu, You-You Yuan, Cai-Lin Chen, Sheng-Sheng Zhao, Tian-Jun Sun, Yu Han, Xiao-Wei Liu, Zhiping Lai, Shu-Dong Wang
Summary: We report a unique fluorine-bridged Fe-MOF, assembled by mixed-valence (FeFeIII)-Fe-II clusters and renewable organic ligands. The structure provides superior C2H2-favored adsorption sites facilitated by hydrogen bonding, with a lower C2H2 adsorption enthalpy than other reported HBA-MOFs. Importantly, this MOF shows exceptional hydrochemical stability and maintains its intriguing performance for C2H2/CO2 separation even under high humidity conditions.
Article
Thermodynamics
Bicheng Yan, Manojkumar Gudala, Shuyu Sun
Summary: This work develops a parsimonious thermal decline model called HyperReLU model which accurately predicts the temperature behavior in geothermal recovery. A forward surrogate model based on deep neural network is developed to map the reservoir parameters to the HyperReLU model parameters and the ultimate total net energy. The multi-objective optimizer (MOO) based on Non-dominated Sorting-based Genetic Algorithm II (NSGA-II) is integrated with the forward model for robust reservoir optimization. The proposed workflow shows high scalability and is ready for field or regional scale geothermal optimization.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Automation & Control Systems
Yingxin Huo, Xiang Li, Xuan Zhang, Xiu Li, Dong Sun
Summary: This article presents an adaptive intention-driven variable impedance controller for wearable robots, which estimates human motion intention and regulates the dynamic interaction between the human and the robot. The proposed controller improves estimation accuracy and enables safe and efficient interaction.
IEEE TRANSACTIONS ON CONTROL SYSTEMS TECHNOLOGY
(2023)
Article
Robotics
Mingrui Yu, Kangchen Lv, Hanzhong Zhong, Shiji Song, Xiang Li
Summary: This paper proposes a coupled offline and online data-driven method for learning the global deformation model of DLOs. By training offline and updating online, the method can efficiently and accurately estimate the deformation model and achieve large deformation control.
IEEE TRANSACTIONS ON ROBOTICS
(2023)
Article
Engineering, Chemical
Roberto Castro-Munoz, Kumar Agrawal, Zhiping Lai, Joaquin Coronas
Summary: This article discusses the opportunities and challenges of using nanoporous materials for gas separation in emerging energy technologies, such as zeolites, metal-organic materials, and graphene derivatives. It emphasizes the need for improved porosity control of 2D materials and reduction in the selective membrane skin layer. The review also examines various membrane module configurations and process requirements, highlighting the promising future of scaled spiral wound and hollow fiber modules for CO2 and H2 separations. Lastly, the article provides valuable recommendations for researchers in the field.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Environmental Sciences
Tao Zhang, Guangyuan Tan, Weihua Bai, Yueqiang Sun, Yuhe Wang, Xiaotian Luo, Hongqing Song, Shuyu Sun
Summary: In this paper, the possible relationship between the maximum electron density, the corresponding critical frequency, and the occurrence of earthquakes is explored. A new disturbance frequency index is proposed as a novel method to help forecast earthquakes. By using this index, earthquake occurrence can be forecasted five days ahead of detection.
Article
Chemistry, Multidisciplinary
Mohammad Ferdows, Ashish Barmon, Osman Anwar Beg, M. D. Shamshuddin, Shuyu Sun
Summary: This study investigates the effect of a magnetic field on the two-dimensional boundary layer heat transfer in an electroconductive Newtonian fluid. The magnetic induction effects are induced by the relatively high Reynolds number. The temperature and velocity of the stretching surface are inversely related to its distance from the steady edge. Non-dimensional major equations are obtained through a local non-similarity transformation. A numerical solution of the resulting boundary value problem is obtained using a sixth-order Runge-Kutta integration scheme and Nachtsheim-Swigert shooting iterative technique. The study provides valuable insights into the physical impacts of fluid parameters and the distributions of skin friction coefficient and local Nusselt number.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Multidisciplinary
Tao Zhang, Liang Gong, Shuyu Sun, Chuan-Yong Zhu
Summary: In this study, a thermodynamically consistent NVT flash model is developed to consider the effect of hydrogen bond on the phase equilibrium states of multi-component fluid. The calculated phase stability and phase splitting results can provide thermodynamic foundations for the establishment of the multi-component multi-phase flow model and optimize the development process for various engineering purposes.
Article
Energy & Fuels
Remya Geetha Sadasivan Nair, Arun Kumar Narayanan Nair, Shuyu Sun
Summary: Density functional theory calculations were used to investigate the adsorption behaviors of CO2, NO, CO, and NH3 on 12 different fullerene-like nanocages. The analysis suggested that CO2 is physisorbed and NH3 is chemisorbed on the nanocages. The results also showed a linear relationship between the Vmin values and the CO2 or NO adsorption energies.
Article
Energy & Fuels
Yuqi Wu, Senyou An, Pejman Tahmasebi, Keyu Liu, Chengyan Lin, Serveh Kamrava, Chang Liu, Chenyang Yu, Tao Zhang, Shuyu Sun, Samuel Krevor, Vahid Niasar
Summary: Digital rock physics (DRP) is an effective tool for predicting petrophysical properties and mass transport mechanisms in porous media. However, acquiring 3D high-resolution and large-view images for accurate prediction is challenging. To address this, we used FastGAN to synthesize LR and HR images and then applied CycleGAN to reconstruct 3D HR digital rocks. The accuracy of our proposed method (FastGAN-CycleGAN) was validated by comparing with laboratory measurements.
Article
Engineering, Chemical
Ronghao Cui, Arun Kumar Narayanan Nair, Mohd Fuad Anwari Che Ruslan, Yafan Yang, Shuyu Sun
Summary: Molecular dynamics simulations were conducted to investigate the interfacial properties of brine and brine+silica systems in the presence of CO2, hexane, and their equimolar mixture under geological conditions. The simulation results agree with the theoretical predictions based on the density gradient theory. It was found that the interfacial tension increases linearly with increasing NaCl concentration, and the contact angle varies with pressure, temperature, and the presence of CO2.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Optics
Zhongxiao Li, Zhen Li, Hao Huang, Yunduo Yao, Bilawal Khan, Ye Zhu, Kuo-Wei Huang, Zhiping Lai, Jr-Hau He
Summary: The study proposes an unassisted photoelectrochemical lithium extraction system that uses sunlight to extract lithium from seawater. The system achieved a significant increase in lithium concentration and demonstrated excellent light-harvesting and catalytic capabilities. It offers a promising solution to future lithium supply limitations.
Article
Thermodynamics
Yuanqing Wu, Shuyu Sun
Summary: The sparse-grid guided PINN training method improves the accuracy of the PINN surrogate model by rearranging collocation points and reduces the training time complexity. Experimental results demonstrate its clear advantages in terms of convergence, stability, and accuracy.
FLUID PHASE EQUILIBRIA
(2024)
Proceedings Paper
Automation & Control Systems
Kangchen Lv, Mingrui Yu, Yifan Pu, Xin Jiang, Gao Huang, Xiang Li
Summary: This paper focuses on learning to robustly estimate the states of DLOs from single-frame point clouds in the presence of occlusions using a data-driven method. The proposed network architecture exploits both global and local information of the input point cloud, and a fusion module is designed to effectively leverage the advantages of both methods. Experimental results demonstrate the effectiveness of the method in generating accurate DLO state estimation results.
2023 IEEE INTERNATIONAL CONFERENCE ON ROBOTICS AND AUTOMATION (ICRA 2023)
(2023)