Article
Chemistry, Multidisciplinary
Xidong Du, Dongdong Pang, Yuan Zhao, Zhenkun Hou, Hanglong Wang, Yugang Cheng
Summary: This study examines the adsorption characteristics of CO2, N-2, and CH4 on kaolinite clay and investigates the effects of temperature, separation coefficients, and spontaneity on the adsorption behavior.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Physical
Mingshan Zhang, Zaobao Liu, Bin Pan, Stefan Iglauer, Zhehui Jin
Summary: In this study, GCMC and MD simulations were used to investigate the adsorption behavior of CO2/H2S mixtures in organic and inorganic shale nanopores. The results showed that CO2 and H2S exhibit different adsorption behaviors on different surfaces. H2S prefers to adsorb on illite surfaces due to stronger dipole-dipole interactions, while CO2 is distributed parallel along the surfaces. The total adsorption of CO2 and H2S is higher in illite nanopores, suggesting a new promising storage method and providing important insights for improving sour gas geological sequestration capacity.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Wenhui Li, Mingshan Zhang, Yiling Nan, Wanying Pang, Zhehui Jin
Summary: This study investigated the effects of kerogen maturity and pore size on CO2 storage mechanism and capacity in water-filled kerogen nanopores using molecular dynamics simulation. The results showed that CO2 storage mechanisms differ in pores of different sizes, with enhanced storage capacity in 1 nm pores due to strong interactions between kerogen and CO2. Additionally, CO2 clusters near the kerogen surface in larger pores increased overall CO2 storage capacity.
Article
Chemistry, Physical
Azeezat Ali, Alberto Striolo, David R. Cole
Summary: Geological carbon sequestration in deep saline aquifers is crucial for reducing greenhouse gas emissions, but the solubility of CO2 in water is affected by various factors. Research indicates that the solubility of CO2 is lower in calcite pores and decreases as the pores narrow. Simulation results also suggest that the presence of ions influences the solubility of CO2 in confined water.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Chemical
Yilei Song, Zhaojie Song, Zhuoya Zhang, Xuya Chang, Daigang Wang, Gang Hui
Summary: This study proposes a new method for describing the adsorption and phase behavior of gas-water mixtures using molecular dynamics simulation, establishes the GWA-PR-EOS equation, and develops a two-phase behavior calculation model. Under nanopore confinement, gas phase molecules tend to move into the aqueous phase, and the effect of confinement on mutual solubility varies under different conditions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Environmental
Mingshan Zhang, Wenhui Li, Zhehui Jin
Summary: Molecular dynamic simulations reveal that deprotonated cyclohexanoic acid and heptanoic acid exhibit different interaction modes with water in pristine and hydroxylated carbon nanopores, which play a crucial role in the removal of NAs by activated carbons.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Yufan Zhang, Dexiang Li, Gongming Xin, Shaoran Ren
Summary: This review provides an overview of shale models for better understanding gas adsorption behaviors on shales. It reviews molecular simulations performed on organic matter models, inorganic mineral models, and composite shale models, as well as experimental studies on shale microstructure analysis. The advantages, disadvantages, and applications of these methods are well summarized. This review is useful for selecting appropriate models and experimental characterization of shale structure and composition.
Article
Environmental Sciences
Mamoun Fellah, Naouel Hezil, Kamel Guerfi, Ridha Djellabi, Alex Montagne, Alain Iost, Kirill Borodin, Aleksei Obrosov
Summary: The study found that anionic surfactant showed better adsorption on kaolinite compared to cationic surfactant; the adsorption kinetics fit the pseudo-second-order model well; BDDAB adsorption tended to follow Langmuir-Freundlich and Freundlich isotherm models, while SDS adsorption adhered only to the Langmuir-Freundlich model.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Chenxi Xu, Haitao Xue, Qi Dong, Shuangfang Lu, Guohui Chen, Yuying Zhang, Jinbu Li, Qingzhong Xue, Maosheng Tong, Xiaoting Pang, Binwu Ni
Summary: Research on the adsorption mechanism of CH4 and CO2 in Kaolinite slit nanopores reveals that CO2 has a greater adsorption capacity due to both Van der Waals and Coulomb forces, while CH4 is only controlled by Van der Waals forces. When CO2 and CH4 coexist, CO2 tends to be adsorbed first, suggesting the rationality of injecting CO2 to improve shale gas recovery efficiency.
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Hu Wen, Jianchi Hao, Li Ma, Xuezhao Zheng
Summary: The study revealed that the process of CO2 replacing CH4 can be divided into different stages, with desorption amount varying with time and temperature, and replacement ratio showing a positive correlation with replacement time. Overall, an increase in CO2 injection pressure would result in higher cumulative displacement ratio.
Article
Engineering, Chemical
Shan Wu, Hongya Wang, Gang Yuan, Bingying Hu, Zheng Sun, Shuhui Yan, Yaohui Li
Summary: This article investigates the flow capacity of CO2 sequestration in unconventional gas reservoirs, finding that CO2 flow capacity is stronger in smaller nanopores, and temperature and pressure also have an impact on flow capacity. The wettability effect causes significant changes in CO2 flow capacity.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Zheng Sun, Guodai Wu, Bingxiang Huang, Lijun Cheng, Jinhua Luan, Ruigang Zhang, Ziwei Chen, Chunlin Zeng
Summary: This study investigates the impact of surface-molecule interaction strength on CO2 storage in nanopores and finds that increasing the interaction strength can significantly improve CO2 storage capacity. However, the difference diminishes under high-pressure conditions, and neglecting the shift of CO2 critical properties can lead to overestimation of CO2 density.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Lijun Cheng, Dahua Li, Wei Wang, Jun Liu
Summary: This study introduces a self-developed model to investigate the impact of anisotropic in situ stress on the transport of free gases in shale. It is found that the anisotropic in situ stress plays a significant role in the storage of CO2 in shale, with a relatively minor impact on the residual free CH4.
Article
Energy & Fuels
J. A. Cecilia, E. Vilarrasa-Garcia, R. Morales-Ospino, E. Finocchio, G. Busca, K. Sapag, J. Villarroel-Rocha, M. Bastos-Neto, D. C. S. Azevedo, E. Rodriguez-Castellon
Summary: This study focuses on the separation of CO2 from emissions using low-cost adsorbents. Zeolite 4A was successfully synthesized from natural kaolinite under specific conditions, showing similar properties to commercial 4A zeolite. The research aims to optimize the synthesis process to enhance CO2 adsorption capacity.
Article
Chemistry, Physical
Hikmat Binyaminov, Janet A. W. Elliott
Summary: This study investigates the effects of dissolved gas on the behavior of liquid in cylindrical nanopores using Gibbsian composite system thermodynamics and classical nucleation theory. It is found that the behavior of water in nanoconfinement is only affected when the gas amount is significantly more than the saturation concentration.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Engineering, Environmental
Mingshan Zhang, Shiyuan Zhan, Zhehui Jin
CHEMICAL ENGINEERING JOURNAL
(2020)
Article
Engineering, Environmental
Shiyuan Zhan, Yuliang Su, Zhehui Jin, Mingshan Zhang, Wendong Wang, Yongmao Hao, Lei Li
CHEMICAL ENGINEERING JOURNAL
(2020)
Article
Energy & Fuels
Bin Pan, Yajun Li, Mingshan Zhang, Xiaopu Wang, Stefan Iglauer
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2020)
Article
Chemistry, Physical
Mingshan Zhang, Hui Mao, Zhehui Jin
Summary: This study used molecular dynamic simulations to investigate the structural properties of PEG in MMT interlayers, revealing the wrapping and caging effects of different types of PEG on Na+ ions, thus reducing the hydration ability of Na+ ions and optimizing the design of high-performance drilling fluids.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Wenhui Li, Mingshan Zhang, Yiling Nan, Wanying Pang, Zhehui Jin
Summary: This study investigated the effects of kerogen maturity and pore size on CO2 storage mechanism and capacity in water-filled kerogen nanopores using molecular dynamics simulation. The results showed that CO2 storage mechanisms differ in pores of different sizes, with enhanced storage capacity in 1 nm pores due to strong interactions between kerogen and CO2. Additionally, CO2 clusters near the kerogen surface in larger pores increased overall CO2 storage capacity.
Article
Chemistry, Physical
Hui Mao, Yan Huang, Jiazheng Luo, Mingshan Zhang
Summary: In this study, molecular dynamic simulations were used to investigate the arrangement and dynamic properties of PEA molecules within Na-MMT interlayer, revealing that P-PEA molecules have a more significant impact on clay and exhibit stronger interactions with water molecules. Additionally, PEA molecules can inhibit the water absorption of clay by forming P-PEA-Na+ complexes.
APPLIED CLAY SCIENCE
(2021)
Article
Engineering, Petroleum
Jun Yao, Zhihao Li, Lijun Liu, Weipeng Fan, Mingshan Zhang, Kai Zhang
Summary: Horizontal drilling and hydraulic fracturing are efficient techniques for enhancing recovery in shale-gas reservoirs. An improved algorithm called modified variable-length PSO was proposed to automatically select the optimal fracturing parameters. The results showed that the modified algorithm outperformed the traditional algorithm in terms of convergence speed and accuracy, providing a new perspective for fracturing parameter optimization.
Article
Engineering, Environmental
Mingshan Zhang, Wenhui Li, Zhehui Jin
Summary: Molecular dynamic simulations reveal that deprotonated cyclohexanoic acid and heptanoic acid exhibit different interaction modes with water in pristine and hydroxylated carbon nanopores, which play a crucial role in the removal of NAs by activated carbons.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Physical
Yiling Nan, Wenhui Li, Mingshan Zhang, Zhehui Jin
Summary: The study explores the working mechanism of alcohols in reverse micelle dispersity increment through simulations, finding that alcohols can impact the aggregation of AOT. In System A, AOT forms rod-like RMs, while in System B, it forms sphere-like RMs.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Energy & Fuels
Mingshan Zhang, Yiling Nan, Yi Lu, Qing You, Zhehui Jin
Summary: CO2-responsive surfactants play a crucial role in oil recovery from reservoirs and CO2 utilization projects, and understanding the switching mechanisms from a molecular perspective is essential for efficient selection and design. The study revealed that the protonation of lauric acid caused a change in emulsion stability before and after CO2 injection, with the switching mechanism being influenced by changes in entropy.
Article
Chemistry, Physical
Lingfei Liu, Mingshan Zhang, Zhouguang Lu, Zhehui Jin, Yi Lu, Dejun Sun, Zhenghe Xu
Summary: This study investigates the impact of the molecular structure of pseudo-Gemini surfactants (PGS) on the stability and switchability of emulsions. The findings suggest that increasing the spacer length improves the interfacial activity, while introducing an amino group enhances the CO2 responsivity of PGS.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Mingshan Zhang, Zaobao Liu, Bin Pan, Stefan Iglauer, Zhehui Jin
Summary: In this study, GCMC and MD simulations were used to investigate the adsorption behavior of CO2/H2S mixtures in organic and inorganic shale nanopores. The results showed that CO2 and H2S exhibit different adsorption behaviors on different surfaces. H2S prefers to adsorb on illite surfaces due to stronger dipole-dipole interactions, while CO2 is distributed parallel along the surfaces. The total adsorption of CO2 and H2S is higher in illite nanopores, suggesting a new promising storage method and providing important insights for improving sour gas geological sequestration capacity.
APPLIED SURFACE SCIENCE
(2023)
Proceedings Paper
Engineering, Environmental
Mingshan Zhang, Qian Sang, Houjian Gong, Yajun Li, Mingzhe Dong
2017 3RD INTERNATIONAL CONFERENCE ON ENVIRONMENTAL SCIENCE AND MATERIAL APPLICATION (ESMA2017), VOLS 1-4
(2018)
Article
Engineering, Environmental
Xinping Zhang, Yuxin Guo, Xiaoyang Liu, Shun-Yu Wu, Ya-Xuan Zhu, Shao-Zhe Wang, Qiu-Yi Duan, Ke-Fei Xu, Zi-Heng Li, Xiao-Yu Zhu, Guang-Yu Pan, Fu-Gen Wu
Summary: This study develops a nanotrigger HCFT for simultaneous photodynamic therapy and light-triggered ferroptosis therapy. The nanotrigger can relieve tumor hypoxia, induce enhanced photodynamic reaction, and facilitate the continuation of Fenton reaction, ultimately leading to lethal ferroptosis in tumor cells.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Olumide Bolarinwa Ayodele, Toyin Daniel Shittu, Olayinka S. Togunwa, Dan Yu, Zhen-Yu Tian
Summary: This study focused on the semihydrogenation of acetylene in an ethylene-rich stream using two alloyed Pt catalysts PtCu and PtCo. The PtCu catalyst showed higher activity and ethylene yield compared to PtCo due to its higher unoccupied Pt d-orbital density. This indicates that alloying Pt with Cu is more promising for industrial relevant SHA catalyst.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Guowei Chen, Wen-Cheng Chen, Yaozu Su, Ruicheng Wang, Jia-Ming Jin, Hui Liang, Bingxue Tan, Dehua Hu, Shaomin Ji, Hao-Li Zhang, Yanping Huo, Yuguang Ma
Summary: This study proposes an intramolecular dual-locking design for organic luminescent materials, achieving high luminescence efficiency and performance for deep-blue organic light-emitting diodes. The material also exhibits unique mechanochromic luminescence behavior and strong fatigue resistance.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Joren van Stee, Gregory Hermans, Jinu Joseph John, Koen Binnemans, Tom Van Gerven
Summary: This work presents a continuous solvent extraction method for the separation of cobalt and nickel in a millifluidic system using Cyphos IL 101 (C101) as the extractant. The optimal conditions for extraction performance and solvent properties were determined by investigating the effects of channel length, flow rate, and temperature. The performance of a developed manifold structure was compared to a single-channel system, and excellent separation results were achieved. The continuous separation process using the manifold structure resulted in high purity cobalt and nickel products.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Yan Xu, Jingai Jiang, Xinyi Lv, Hui Li, Dongliang Yang, Wenjun Wang, Yanling Hu, Longcai Liu, Xiaochen Dong, Yu Cai
Summary: A programmed gas release nanoparticle was developed to address the challenges in treating diabetic infected wounds. It effectively removes drug-resistant pathogens and remodels the wound microenvironment using NO and H2S. The nanoparticle can eliminate bacteria and promote wound healing through antibacterial and anti-inflammatory effects.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Tong Xia, Zhilin Xi, Lianquan Suo, Chen Wang
Summary: This study investigated a highly efficient coal dust suppressant with low initial viscosity and high adhesion-solidification properties. The results demonstrated that the dust suppressant formed a network of multiple hydrogen bonding cross-linking and achieved effective adhesion and solidification of coal dust through various chemical reactions.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jinzhi Cai, Zhenshan Li
Summary: A density functional theory-based rate equation was developed to predict the gas-solid reaction kinetics of CaO carbonation with CO2 in calcium looping. The negative activation energy of CaO carbonation close to equilibrium was accurately predicted through experimental validation.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Jianxiong Chen, Fuhao Ren, Ningning Yin, Jie Mao
Summary: This study presents an economically efficient and easily implementable surface modification approach to enhance the high-temperature electrical insulation and energy storage performance of polymer dielectrics. The self-assembly of high-insulation-performance boron nitride nanosheets (BNNS) on the film surface through electrostatic interactions effectively impedes charge injection from electrodes while promoting charge dissipation and heat transfer.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Zijian Li, Zhaohui Yang, Shao Wang, Hongxia Luo, Zhimin Xue, Zhenghui Liu, Tiancheng Mu
Summary: This study reports a strategy for upgrading polyester plastics into value-added chemicals using electrocatalytic methods. By inducing the targeted transfer of *OH species, polyethylene terephthalate was successfully upgraded into potassium diformate with high purity. This work not only develops an excellent electrocatalyst, but also provides guidance for the design of medium entropy metal oxides.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Navneet Singh Shekhawat, Surendra Kumar Patra, Ashok Kumar Patra, Bamaprasad Bag
Summary: This study primarily focuses on developing a sulphur dyeing process at room temperature using bacterial Lysate, which is environmentally friendly, energy and cost effective, and sustainable. The process shows promising improvements in dye uptake and fastness properties.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Dengjia Shen, Hongyang Ma, Madani Khan, Benjamin S. Hsiao
Summary: This study developed cationic PVC nanofibrous membranes with high filtration and adsorption capability for the removal of bacteria and hexavalent chromium ions from wastewater. The membranes demonstrated remarkable performance in terms of filtration efficiency and maximum adsorption capacity. Additionally, modified nanofibrous membranes were produced using recycled materials and showed excellent retention rates in dynamic adsorption processes.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Xiaoyan Wang, Zhikun Wang, Ben Jia, Chunling Li, Shuangqing Sun, Songqing Hu
Summary: Inspired by photosystem II, self-supported Fe-doped NiCoP nanowire arrays modified with carboxylate were constructed to boost industrial-level overall water splitting by employing the concerted proton-coupled electron transfer mechanism. The introduction of Fe and carboxyl ligand led to improved catalytic activity for HER and OER, and NCFCP@NF exhibited long-term durability for overall water splitting.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Pengyao Yu, Ge Yang, Yongming Chai, Lubomira Tosheva, Chunzheng Wang, Heqing Jiang, Chenguang Liu, Hailing Guo
Summary: Thin LTA zeolite membranes were prepared through secondary growth of nano LTA seeds in a highly reactive gel, resulting in membranes with superior permeability and selectivity in gas separation applications.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Baiqin Zhou, Huiping Li, Ziyu Wang, Hui Huang, Yujun Wang, Ruichun Yang, Ranran Huo, Xiaoyan Xu, Ting Zhou, Xiaochen Dong
Summary: The use of machine learning to predict the performance of specific adsorbents in phosphate adsorption shows great promise in saving time and revealing underlying mechanisms. However, the small size of the dataset and insufficient detailed information limits the model training process and the accuracy of results. To address this, the study employs a fuzzing strategy that replaces detailed numeric information with descriptive text messages on the physiochemical properties of adsorbents. This strategy allows the recovery of discarded samples with limited information, leading to accurate prediction of adsorption amount, capacity, and kinetics. The study also finds that phosphate uptake by adsorbents is generally through physisorption, with some involvement of chemisorption. The framework established in this study provides a practical approach for quickly predicting phosphate adsorption performance in urgent scenarios, using easily accessible information.
CHEMICAL ENGINEERING JOURNAL
(2024)
Article
Engineering, Environmental
Paula Alejandra Lamprea Pineda, Joren Bruneel, Kristof Demeestere, Lisa Deraedt, Tex Goetschalckx, Herman Van Langenhove, Christophe Walgraeve
Summary: This study evaluates the use of four esterified fatty acids and three vegetable oils as absorption liquids for hydrophobic VOCs. The experimental results show that isopropyl myristate is the most efficient liquid for absorbing the target VOCs.
CHEMICAL ENGINEERING JOURNAL
(2024)