Chongli Zhong

Tianjin Polytechnic University

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Hongliang Huang

Tianjin Polytechnic University

122

Dahuan Liu

Beijing University of Chemical Technology

Qingyuan Yang

State Key Laboratory of Information Engineering in Surveying Mapping and Remote Sensing

Zhihua Qiao

Tianjin Polytechnic University

Xiangyu Guo

Lanzhou University

Yuxiu Sun

Tianjin Polytechnic University

Zhengqing Zhang

Tianjin Polytechnic University

Wenjuan Xue

Tianjin Polytechnic University

Jianguo Mi

Beijing University of Chemical Technology

Minman Tong

Jiangsu Normal University

Cooperative Institutions

Tianjin Polytechnic University

105

Chinese Academy of Sciences

Beijing University of Chemical Technology

University of Chinese Academy of Sciences

Tianjin University

University of Science and Technology of China

Centre National de la Recherche Scientifique

Tsinghua University

Shanghai Jiao Tong University

Zhejiang University

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Structure and effective interactions in polymer nanocomposite melts: An integral equation theory study

The Journal of Chemical Physics (2006)

Lei Zhao Yigui Li Chongli Zhong Jianguo Mi

The polymer reference interaction site model from integral equation theory is used to investigate the structure and effective interactions in polymer nanocomposite melts where strong nanoparticle-monomer interactions are principally considered in this work. For finite particle volume fraction, the compromise for the interference between polymers and nanoparticles results in an optimum particle volume fraction for nanoparticle dispersion in polymer melts. At constant particle volume fraction, the effects of degree of polymerization become insignificant when it reaches a threshold value, below which quantitative effects on the organization states of polymer nanocomposite melts are found and help nanoparticles to well disperse in polymer. The aggregation of large nanoparticles decreases with the increase of the nanoparticle-monomer attraction strength. These observations may provide useful information for the development of new polymer materials.

Volume fraction

Polymer nanocomposite

Particle (ecology)

10.1063/1.2187489

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Citations (30)

Thermodynamic modeling of biomass conversion processes

Fluid Phase Equilibria (2002)

Chongli Zhong Cor J. Peters J. de Swaan Arons

10.1016/s0378-3812(01)00668-9

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Citations (40)

Single-Atom Pt–N₃ Sites on the Stable Covalent Triazine Framework Nanosheets for Photocatalytic N₂ Fixation

ACS Catalysis (2020)

Jian Li Peng Liu Yuanzhe Tang Hongliang Huang Hongzhi Cui

The commercial Haber-Bosch process for NH3 production not only requires large amounts of energy and hydrogen supply but also generates tremendous greenhouse CO2 emission. To mitigate energy and environmental challenges, renewable ammonia production technologies based on electrochemical and photochemical methods, in particular, photocatalytic nitrogen fixation in aqueous phase for ammonia production is highly desired. In the present work, single-atom Pt anchored at the −N3 sites of stable and ultrathin covalent triazine framework (CTF) nanosheets have been successfully synthesized (Pt-SACs/CTF). The well-defined coordination structure of Pt–N3 sites in the Pt-SACs/CTF catalyst have been characterized using HAADF-STEM and EXAFS, as well as ab initio molecular dynamics simulations. The ammonia production rate over the as-synthesized Pt-SACs/CTF catalyst is 171.40 μmol g–1 h–1 in the absence of sacrificial agent. On the basis of density functional theory calculations, it has been found that the alternating mechanism is energetically more favorable than the distal mechanism over the well-defined Pt–N3 sites. The significance of the present work is to demonstrate that the single-atom metal catalysts are anchored at the two-dimensional stable CTF nanosheets for photocatalytic nitrogen fixation to ammonia.

Ammonia production

Triazine

10.1021/acscatal.9b04925

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Citations (211)

Group contribution simplified hole theory equation of state for liquid polymers and solvents and their solutions

Fluid Phase Equilibria (1998)

Wenchuan Wang Xiangling Liu Chongli Zhong Chorng H. Twu John E. Coon

Group contribution method

Flory–Huggins solution theory

10.1016/s0378-3812(97)00241-0

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Citations (16)

Ultrathin Low‐Crystallinity MOF Membranes Fabricated by Interface Layer Polarization Induction

Advanced Materials (2020)

Zhihua Qiao Yueyao Liang Zhengqing Zhang Donghai Mei Zhi Wang

Practical, ultrathin metal-organic framework (MOF) membranes have the potential to achieve otherwise difficult separations, but current fabrication methods still face challenges in the simultaneous improvement of both selectivity and permeance. Here, ultrathin, low-crystallinity-state MOF (LC-MOF) membranes are realized by a facile general method of interface layer polarization induction. This is achieved using an interface layer having metal ions with dense and uniform distribution, resulting in the creation of abundant open metal sites. Three types of LC-MOF membranes (45-150 nm) are fabricated, among which ZIF-8 membranes modified in situ with diethanolamine (DZIF-8) display the best performance for propylene/propane separation, showing unprecedented propylene permeance (2000-3000 Gas Permeance Units) with very high propylene/propane selectivity (90-120).

Permeance

Propane

Diethanolamine

10.1002/adma.202002165

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Citations (106)

Step‐Nucleation In Situ Self‐Repair to Prepare Rollable Large‐Area Ultrathin MOF Membranes

Advanced Materials (2023)

Caijiao Yu Xixi Cen Zhengqing Zhang Yuxiu Sun Wenjuan Xue

Ultrathin membranes with ultrahigh permeance and good gas selectivity have the potential to greatly decrease separation process costs, but it requires the practical preparation of large area membranes for implementation. Metal-organic frameworks (MOFs) are very attractive for membrane gas separation applications. However, to date, the largest MOF membrane area reported in the literature is only about 100 cm2 . In the present study, a new step-nucleation in situ self-repair strategy is proposed that enables the preparation of large-area (2400 cm2 ) ultrathin and rollable MOF membranes deposited on an inexpensive flexible polymer membrane support layer for the first time, combining a polyvinyl alcohol (PVA)-metal-ion layer and a pure metal-ion layer. The main role of the pure metal-ion layer is to act as the main nucleation sites for MOF membrane growth, while the PVA-metal-ion layer acts as a slow-release metal-ion source, which supplements MOF crystal nucleation to repair any defects occurring. Membrane modules are necessary components for membrane applications, and spiral-wound modules are among the most common module formats that are widely applied in gas separation. A 4800 cm2 spiral-wound membrane module was successfully prepared, demonstrating the practical implementation of large-area MOF membranes.

Permeance

Synthetic membrane

10.1002/adma.202307013

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Citations (38)

Synthesis of CNT@MIL-68(Al) composites with improved adsorption capacity for phenol in aqueous solution

Chemical Engineering Journal (2015)

Tongtong Han Yuanlong Xiao Minman Tong Hongliang Huang Dahuan Liu

Dispersity

Specific surface area

Aqueous two-phase system

10.1016/j.cej.2015.04.005

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Citations (119)

Modeling of the Heat Capacity of Polymers with the Variable Connectivity Index

Polymer Journal (2002)

Dahuan Liu Chongli Zhong

Volumetric heat capacity

10.1295/polymj.34.954

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Citations (15)

Preparation of thin film nanocomposite membranes with surface modified MOF for high flux organic solvent nanofiltration

AIChE Journal (2016)

Xiangyu Guo Dahuan Liu Tongtong Han Hongliang Huang Qingyuan Yang

Preparation of defect‐free and optimized thin film nanocomposite (TFN) membranes is an effective way to enhance the process of organic solvent nanofiltration. However, it still remains a great challenge due to poor filler particle dispersibility in organic phase and compatible issue between fillers and polymers. Aiming at these difficulties, UiO‐66‐NH 2 nanoparticles were surface modified with long alkyl chains and used in the preparation of TFN membranes. As a result, defect‐free TFN membranes with ultrathin MOF@polyamide layer were successfully prepared benefited from the improved particle dispersibility in n‐hexane. Significant enhancement was found in methanol permeance after nanoparticle incorporation, without comprising the tetracycline rejection evidently. Especially, the novel TFN membrane prepared with organic phase solution containing 0.15% (w/v) modified UiO‐66‐NH 2 nanoparticles showed a superior methanol permeance of 20 L·m −2 ·h −1 ·bar −1 and a tetracycline rejection of about 99%, which is appealing to the application in pharmaceutical industry for example. © 2016 American Institute of Chemical Engineers AIChE J , 63: 1303–1312, 2017

Nanofiltration

Permeance

Thin-film composite membrane

Particle (ecology)

10.1002/aic.15508

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Citations (128)

Machine learning aided investigation on the structure-performance correlation of MOF for membrane-based He/H2 separation

Green Chemical Engineering (2024)

Shitong Zhang Yanjing He Zhengqing Zhang Chongli Zhong

The separation of He/H2 using membrane technology has gained significant interest in the field of He extraction from natural gas. One of the greatest challenges associated with this process is the extremely close kinetic diameters of the two gas molecules, resulting in low membrane selectivity. In this study, we investigated the structure-performance relationship of metal-organic framework (MOF) membranes for He/H2 separation through molecular simulations and machine learning approaches. By conducting molecular simulations, we identified the potential MOF membranes with high separation performance from the Computation-Ready Experimental (CoRE) MOF database, and the diffusion-dominated mechanism was further elucidated. Moreover, random forest (RF)-based machine learning models were established to identify the crucial factors influencing the He/H2 separation performance of MOF membranes. The pore limiting diameter (PLD) and void fraction (φ), are revealed as the most important physical features for determining the membrane selectivity and He permeability, respectively. Additionally, density functional theory (DFT) calculations were carried out to validate the molecular simulation results and suggested that the electronegative atoms on the pore surfaces can enhance the diffusion-based separation of He/H2, which is critical for improving the membrane selectivities of He/H2. This study offers useful insights for designing and developing novel MOF membranes for the separation of He/H2 at the molecular level.

Separation process

10.1016/j.gce.2024.01.005

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Citations (5)