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Contact Printing Based on Meniscus Vibration
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-27 DOI: 10.1021/acs.langmuir.4c04582
Zihao Li, Teng Xiang, Xiangyu Yin, Jide Wang, Dege Li, Guofang Hu, Weiwei He, Yuyao Wu, Boce Xue, Runsheng Li, Yanzhen Zhang
Utilizing the residual droplet produced from liquid bridge breakup for microdroplet deposition serves as an important supplementary method to conventional printing techniques. However, this approach typically relies on mechanical motion to form and break the liquid bridge between the liquid donor and acceptor surfaces, resulting in a relatively complex process and low printing efficiency (typically limited to several Hertz). Here, we propose a novel contact printing method based on the meniscus vibration (MVCP). A tubular piezoelectric dispenser is employed as the liquid donor, with the acceptor surface positioned at a distance of several tens of micrometers from the nozzle. By modulating the waveform of the driving signal, the meniscus can undergo controlled extrusion and withdrawal, enabling the precise formation and breakup of the liquid bridge. Experimental results indicate that MVCP offers advantages such as a simplified process, high printing frequency (several tens of Hertz), and droplet sizes smaller than the nozzle diameter. A combined approach of experimental research, numerical simulation, and mechanics analysis was used to systematically investigate the mechanisms of meniscus vibration, liquid bridge formation, and breakup. The findings indicate that the performance of the MVCP is strongly influenced by the hydrophilicity of the acceptor surface as well as the vibration amplitude of the meniscus. Additionally, an on-demand printing strategy for low-viscosity inks was developed, demonstrating MVCP’s potential for high-resolution printing and providing a foundational basis for its further development and application.
利用液桥断裂产生的残留液滴进行微液滴沉积是传统打印技术的一种重要补充方法。然而,这种方法通常依赖机械运动来形成和打破供液表面和受液表面之间的液桥,因此过程相对复杂,打印效率较低(通常仅限于几赫兹)。在此,我们提出了一种基于半月板振动(MVCP)的新型接触式打印方法。采用管状压电分配器作为供液器,受液面与喷嘴的距离为几十微米。通过调制驱动信号的波形,半月板可以受控地挤出和撤出,从而实现液桥的精确形成和断裂。实验结果表明,MVCP 具有工艺简化、印刷频率高(几十赫兹)、液滴尺寸小于喷嘴直径等优点。实验研究、数值模拟和力学分析相结合,系统地研究了半月板振动、液桥形成和破裂的机理。研究结果表明,MVCP 的性能深受受体表面亲水性和半月板振动幅度的影响。此外,研究人员还开发了一种按需打印低粘度油墨的策略,证明了 MVCP 在高分辨率打印方面的潜力,并为其进一步开发和应用奠定了基础。
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引用次数: 0
Incorporation of Triacylglycerol and Cholesteryl Ester Droplets in Phase-Separated Giant Unilamellar Vesicles.
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c05063
Chiho Kataoka-Hamai, Jingwen Song, Kohsaku Kawakami

Cytoplasmic lipid droplets form from the endoplasmic reticulum (ER). Because the ER membrane can undergo phase separation, the interaction of lipid droplets with phase-separated bilayers is of significant interest. In this study, we used fluorescence microscopy to investigate the incorporation of droplets composed of triolein, trilinolein, trimyristolein, trieicosenoin, and cholesteryl arachidonate in the bilayers of giant unilamellar vesicles (GUVs) consisting of a mixture of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), and cholesterol. After the triacylglycerol droplets were incorporated, the DOPC/DPPC/cholesterol (3:3:2) GUVs, which exhibited liquid-disordered (Ld) and liquid-ordered (Lo) phase separation, retained their phase-separated state. The triacylglycerol droplets were predominantly partitioned in the Ld domains. To elucidate the basis of this preferential partitioning, we investigated the surface pressures of DOPC, DPPC, and cholesterol monolayers containing triolein at the air/water interface using a Langmuir trough. From these measurements, we determined the interfacial tension at the monolayer-covered triolein/water interface. The results showed that DOPC most effectively reduced the interfacial tension. Thus, the droplet sorting into the DOPC-enriched Ld domains likely arose from the difference in the abilities of the two phases to stabilize the droplet interface. In contrast, cholesteryl arachidonate had a profound effect on bilayer phase behavior. Fluorescence images of the DOPC/DPPC/cholesterol (3:3:2) GUVs showed that the domain structures disappeared after droplet incorporation. Additionally, surface pressure measurements of DOPC/DPPC/cholesterol (3:3:2) monolayers containing cholesteryl arachidonate at the air/water interface suggested that cholesteryl arachidonate weakened the lipid-lipid interaction. The results indicate that the cholesteryl arachidonate molecules diffused across the bilayer to hinder the bilayer phase separation.

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引用次数: 0
Water Collection and Transport on Bioinspired Surface Integrating Beetles, Spider Webs, and Cactus Spines
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c05167
Xiaowen Qi, Xiaolong Fang, Youfu Wang, Xiangfu Chen, Longfei Mi, Wenfeng Liu, Hongtao Cui
Freshwater scarcity is a pressing global issue, and water collection from fog offers a promising, cost-effective, and environmentally friendly solution. Inspired by the water collection mechanisms of desert beetles, spider webs, and cactus spines, we designed interconnecting superhydrophilic–superhydrophobic-region patterns for efficient water collection, which was achieved by low-energy fluorine-containing coating on Aluminum (Al) substrate followed by laser marker ablation to form superhydrophilic pattern out of the overall superhydrophobic surface. The pattern featured superhydrophilic interconnecting spider webs combined with triangular cactus spines on superhydrophobic surfaces with a water contact angle of 159.3° and a water rolling angle of <1°. The first drop collection time of the optimally patterned sample was remarkably short at only 51.3 s and the weight of it was 0.0414 g under a fog flow rate of 600 mL/h, a result that has rarely been reported in the literature. The corresponding water collection rate reached 840.54 mg·cm–2·h–1, which was 68.64 and 229.38% higher than those of the superhydrophilic and superhydrophobic surfaces, respectively. Even compared to several high-rate patterns reported in the literature, our optimally patterned sample demonstrated a superior water collection rate. The high proportion of hydrophilic regions along with the surface energy gradient, Laplace pressure, and Young–Laplace pressure originating from the pattern drove the patterned sample to excel in mist adsorption, nucleation, growth, and directional transport of droplets to the shedding point, ensuring timely collection. The enhancement mechanism of the water harvesting for inhomogeneous wettable surfaces was analyzed, with one focus on reducing loss in hydrophobic regions and the other on improving the balanced cycling of the collection process. Additionally, laser marker ablation to pattern surfaces according to designs is suitable for large-scale production due to its low cost, high efficiency, and flexible processing.
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引用次数: 0
Blue-Emitting CsPbBr3 Nanocrystals: Synthesis Progress and Bright Photoluminescence
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c05108
Wenbin Shi, Ping Yang, Xiao Zhang
All-inorganic perovskite (CsPbX3, X = Cl, Br, I) nanomaterials as novel optoelectronic semiconductors have attracted much attention due to their unique photoelectric properties in lighting, display, and photovoltaic applications. Meanwhile, green and red light-emitting diodes (LEDs) based on bromine and iodine groups have developed rapidly, in which the high external quantum efficiency (EQE) is close to that of the current commercial green and red LEDs. However, the EQE of perovskite-based blue LEDs is far behind. Blue LEDs are often made by CsPbCl3 and CsPb(Cl/Br)3 nanocrystals (NCs) with low photoluminescence (PL) quantum yields. Their phase segregation seriously limits their practical applications. The PL peak of CsPbBr3 NCs is usually located in the green region. In the case of a strong quantum confinement effect, blue PL can be observed from CsPbBr3 NCs. Therefore, blue emitting CsPbBr3 NCs have become a hot topic. This review focused on the synthesis, ligand selection, and morphology control of blue emitting CsPbBr3 NCs, in which the microstructure, luminescence, and synthesis method were first discussed. In addition, the influence of capping ligands on the PL properties and stability is indicated. Furthermore, the size and morphology adjustment are also discussed. Finally, the application and existing problems of blue-emitting CsPbBr3 in blue LEDs are summarized. This review aims to provide new insights into the preparation of efficient and stable blue-emitting CsPbBr3 and the design-based manufacturing of blue LEDs.
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引用次数: 0
Fluid Flow Measurements in Nanoslits Using Holographic Microscopy
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c04244
Siyang Yu, Jeremy Orosco, James Friend
To understand the mechanisms driving fluid flow behavior in nanofluidics so that they may be used for on-chip biomedical and chemical applications, the fluid’s motion itself needs to be observable and measurable, a difficult challenge at these small scales. We present a new method for measuring both slow and fast flows in nanofluidics using high-speed digital holographic microscopy. We measure the evaporation-driven flow in 25 and 7 nm tall nanoslit channels, showing that the consequent flow speed is about 15 times slower than open atmospheric evaporation due to the confinement of the nanoslit channel. We also measured the surface acoustic wave-driven flow in the 25 nm channel, showing flow at a speed of 0.12 m/s from acoustic wave propagation at 39.7 MHz interacting with the fluid in the channel. A process to eliminate the many sources of noise to produce these results is provided, showing that─in particular─spatial averaging is useful to determine the fluid flow and the dewetting of the fluid in the nanoslit channel over time.
要了解纳米流体中流体流动行为的驱动机制,以便将其用于片上生物医学和化学应用,就必须对流体运动本身进行观测和测量,而这在这些小尺度上是一项艰巨的挑战。我们提出了一种利用高速数字全息显微镜测量纳米流体中慢速和快速流动的新方法。我们测量了 25 纳米和 7 纳米高的纳米流道中由蒸发驱动的流动,结果表明,由于纳米流道的封闭性,其流动速度比开放大气蒸发慢约 15 倍。我们还测量了 25 纳米通道中由表面声波驱动的流动,结果显示,声波以 39.7 MHz 的频率传播,与通道中的流体相互作用,流速为 0.12 m/s。我们提供了一个消除许多噪声源以产生这些结果的过程,表明--特别是--空间平均法--对于确定纳米光通道中的流体流动和流体随时间变化的润湿情况非常有用。
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引用次数: 0
Molecular Simulation and Experimental Study on Adsorptive Separation of the Ar/He Gas Mixture by Two Metal-Organic Frameworks at Room and Lower Temperatures.
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c04557
Shoucheng Cui, Jiasi Zhao, Hongbo Xu, Nan Peng, Liqiang Liu

This study combines molecular simulation and experimental methods to investigate the adsorptive separation performance of two metal-organic frameworks (MOFs), ZIF-67 and MIL-53(Al), for Ar/He mixed gases. Experimental and simulation adsorption isotherm data were obtained at temperatures of 298, 200, and 150 K for both Ar and He single-component adsorbates. The ideal adsorbed solution theory (IAST) and grand canonical Monte Carlo (GCMC) simulations calculated the Ar/He selectivity coefficients at different temperatures. Breakthrough experiments analyzed the separation performance of the MOFs with varying feed ratios of Ar/He at 298, 200, and 150 K. Additionally, molecular simulations assessed the isosteric heat of adsorption, adsorption energy distribution, and binding energy, providing insights into competitive adsorption mechanisms. Results showed that both ZIF-67 and MIL-53(Al) preferentially adsorb Ar, with lower temperatures significantly enhancing the separation performance. This preference is linked to differences in the binding energy between the adsorbent sites and the two gas molecules. Breakthrough tests confirmed that both MOFs are effective for Ar/He separation with lower temperatures or higher He concentrations improving He extraction from the mixture.

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引用次数: 0
Molecular Insights into Interfacial Stress Amplification and Network Reinforcement in Extrudable Multiphase Vitrimers
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.5c00177
Jialiang Chen, Shuangjian Yu, Siwu Wu, Zhenghai Tang, Baochun Guo, Liqun Zhang
Incorporating dynamic covalent bonds (DCBs) into elastomers provides a seminal solution for the upcycling of traditional thermoset elastomers. Recently, engineering a multiphase network with various cross-linking uniformity and phase structures has been proven to be an effective strategy to overcome the bottleneck of continuous and high-throughput recycling (e.g., extrusion reprocessing) of vitrimeric elastomers. However, all of the relevant studies only focused on revealing the influences of network structures on the macroscopic properties of the systems. As for the microscopic mechanism of the multiphase network at the molecular level, it is still lacking. Herein, based on coarse-grained molecular dynamics (CGMD) simulation, a modeled DCBs-cross-linked elastomer with a multiphase network was established, which was subsequently subjected to in situ tensile or shear forces to simulate the evolution of local chain segment motion and stress/strain distributions in various microregions of the network under the complex extrusion/injection force field. The results indicate that phase domains with different cross-link densities feature distinct chain segment motion behavior and local stress/strain distribution evolution during tensile/shear deformation, and the interfacial phase exhibits significant high stresses. Therefore, incorporating heterogeneously cross-linked multiphase networks into elastomeric vitrimers can enable the system to have significant network reinforcement and unique interfacial stress amplification effects, which are critical for determining extrusion/injection reprocessability. Therefore, we envisage that the present study can provide a molecular-level theoretical explanation for the extrusion/injection reprocessability of multiphase elastomeric vitrimers, thereby guiding the rational network/performance design of these seminal materials.
{"title":"Molecular Insights into Interfacial Stress Amplification and Network Reinforcement in Extrudable Multiphase Vitrimers","authors":"Jialiang Chen, Shuangjian Yu, Siwu Wu, Zhenghai Tang, Baochun Guo, Liqun Zhang","doi":"10.1021/acs.langmuir.5c00177","DOIUrl":"https://doi.org/10.1021/acs.langmuir.5c00177","url":null,"abstract":"Incorporating dynamic covalent bonds (DCBs) into elastomers provides a seminal solution for the upcycling of traditional thermoset elastomers. Recently, engineering a multiphase network with various cross-linking uniformity and phase structures has been proven to be an effective strategy to overcome the bottleneck of continuous and high-throughput recycling (e.g., extrusion reprocessing) of vitrimeric elastomers. However, all of the relevant studies only focused on revealing the influences of network structures on the macroscopic properties of the systems. As for the microscopic mechanism of the multiphase network at the molecular level, it is still lacking. Herein, based on coarse-grained molecular dynamics (CGMD) simulation, a modeled DCBs-cross-linked elastomer with a multiphase network was established, which was subsequently subjected to in situ tensile or shear forces to simulate the evolution of local chain segment motion and stress/strain distributions in various microregions of the network under the complex extrusion/injection force field. The results indicate that phase domains with different cross-link densities feature distinct chain segment motion behavior and local stress/strain distribution evolution during tensile/shear deformation, and the interfacial phase exhibits significant high stresses. Therefore, incorporating heterogeneously cross-linked multiphase networks into elastomeric vitrimers can enable the system to have significant network reinforcement and unique interfacial stress amplification effects, which are critical for determining extrusion/injection reprocessability. Therefore, we envisage that the present study can provide a molecular-level theoretical explanation for the extrusion/injection reprocessability of multiphase elastomeric vitrimers, thereby guiding the rational network/performance design of these seminal materials.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"22 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation and Performance of Caster Oil Polyurethane Marine Antifouling Coatings with Acrylamide Quaternary Ammonium Salts as Antimicrobial Agents.
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c04584
Yiming Hu, Qinyi Liu, Jiaxuan He, Yan Xu, Xiaoming Tan, Yuansheng Wang, Tao Fang, Man Zhang

The surfaces of underwater ship hulls and aquaculture equipment, such as fish cages, are highly susceptible to damage from fouling organisms. Although traditional marine antifouling coatings exhibit effective antifouling properties, the leaching of antifouling agents into the marine environment can lead to pollution and ecological disruption. In this study, we prepared castor oil polyurethane (CO-PU) by reacting castor oil with isocyanate. We then incorporated self-synthesized acrylamide-based quaternary ammonium salts (QASs), specifically dimethyloctylaminopropyl methacrylamide-ammonium QD-BC and its polymer PQDBCAM, into the CO-PU resin to develop CO-PU marine antifouling coatings. By optimizing the formulation to enhance the cross-linking degree of the coating, we obtained coatings with improved mechanical properties and antifouling performance. The results indicate that, in comparison to the pure CO-PU coating, the hydrophilicity of the coating is enhanced, the flexibility is superior, the pencil hardness increases from 5H to 6H, and the adhesion of the PQDBCAM antifouling coating reaches a maximum of 4.79 MPa. All of the coatings demonstrated effectiveness in inhibiting the growth of Pseudomonas aeruginosa, diatoms, and protein attachment, and the increase of QASs leads to enhanced effects. This suggests that acrylamide QAS marine antifouling coatings have a certain degree of antifouling performance, and polymer-based quaternary ammonium PQDBCAM antifouling coatings show superior efficacy. After the 3.6% PQDBCAM coating was statically placed in diatoms for 7 days, the coverage area of diatoms was merely approximately 22.3% and the protein adsorption amount on the surface of the antifouling coating was 31.72 μg/cm2. The coating could maintain its integrity after 3 months and still exhibit excellent antibacterial effects. The antifouling effect was more durable, effectively reducing the maintenance times of ships and the cleaning frequency of aquaculture equipment.

{"title":"Preparation and Performance of Caster Oil Polyurethane Marine Antifouling Coatings with Acrylamide Quaternary Ammonium Salts as Antimicrobial Agents.","authors":"Yiming Hu, Qinyi Liu, Jiaxuan He, Yan Xu, Xiaoming Tan, Yuansheng Wang, Tao Fang, Man Zhang","doi":"10.1021/acs.langmuir.4c04584","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c04584","url":null,"abstract":"<p><p>The surfaces of underwater ship hulls and aquaculture equipment, such as fish cages, are highly susceptible to damage from fouling organisms. Although traditional marine antifouling coatings exhibit effective antifouling properties, the leaching of antifouling agents into the marine environment can lead to pollution and ecological disruption. In this study, we prepared castor oil polyurethane (CO-PU) by reacting castor oil with isocyanate. We then incorporated self-synthesized acrylamide-based quaternary ammonium salts (QASs), specifically dimethyloctylaminopropyl methacrylamide-ammonium QD-BC and its polymer PQDBCAM, into the CO-PU resin to develop CO-PU marine antifouling coatings. By optimizing the formulation to enhance the cross-linking degree of the coating, we obtained coatings with improved mechanical properties and antifouling performance. The results indicate that, in comparison to the pure CO-PU coating, the hydrophilicity of the coating is enhanced, the flexibility is superior, the pencil hardness increases from 5H to 6H, and the adhesion of the PQDBCAM antifouling coating reaches a maximum of 4.79 MPa. All of the coatings demonstrated effectiveness in inhibiting the growth of <i>Pseudomonas aeruginosa</i>, diatoms, and protein attachment, and the increase of QASs leads to enhanced effects. This suggests that acrylamide QAS marine antifouling coatings have a certain degree of antifouling performance, and polymer-based quaternary ammonium PQDBCAM antifouling coatings show superior efficacy. After the 3.6% PQDBCAM coating was statically placed in diatoms for 7 days, the coverage area of diatoms was merely approximately 22.3% and the protein adsorption amount on the surface of the antifouling coating was 31.72 μg/cm<sup>2</sup>. The coating could maintain its integrity after 3 months and still exhibit excellent antibacterial effects. The antifouling effect was more durable, effectively reducing the maintenance times of ships and the cleaning frequency of aquaculture equipment.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":" ","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143514131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular Insights into the EOR Mechanism of Water, CO2, and CO2–WAG Flooding in Heterogeneous Nanochannels: A Molecular Dynamic Simulation
IF 3.9 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c04974
Lixia Zhou, Yuqi Liu, Chengen Zhao, Weiming Wang, Youguo Yan
In tight oil exploitation, the water flooding, CO2 flooding, and CO2 water gas alternate (CO2–WAG) flooding are three commonly adopted methods to enhance the oil recovery (EOR), and the heterogeneous of reservoir has crucial influence on the oil sweep volume and oil displacement efficiency. In this work, molecular dynamic simulation was employed to investigate the displacement behavior in these three flooding methods in the heterogeneous tight reservoir. First, a single nanochannel was used to investigate the different displacement performances in these three flooding methods. Then a double nanochannel model were constructed to mimic the heterogeneous tight reservoir. The threshold injection pressure of three flooding modes was calculated. The number of displaced oil molecules was used to evaluate the oil displacement efficiency. Simulation results showed that the threshold injection pressure gave the following order: CO2 flooding < CO2–WAG flooding < water flooding. In double nanochannel systems, the injecting water passed through the large-sized nanochannel, and the oil inside the small-sized nanochannel could not be displaced in water flooding and CO2–WAG flooding. In CO2 flooding, some oil molecules inside two nanochannels were displaced, and the oil displacement efficiency in the large-size nanochannel was higher than that in the small-size nanochannel. The comparison of these three flooding methods showed that the CO2–WAG flooding has priority over the other two flooding methods, exhibiting both low threshold injection pressure of gas flooding and high oil displacement efficiency of water flooding; consequently, high EOR could be achieved. Our work was helpful to deeply understand the microscopic oil displacement processes of different flooding methods, and it has reference value for the development of tight oil reservoirs.
{"title":"Molecular Insights into the EOR Mechanism of Water, CO2, and CO2–WAG Flooding in Heterogeneous Nanochannels: A Molecular Dynamic Simulation","authors":"Lixia Zhou, Yuqi Liu, Chengen Zhao, Weiming Wang, Youguo Yan","doi":"10.1021/acs.langmuir.4c04974","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c04974","url":null,"abstract":"In tight oil exploitation, the water flooding, CO<sub>2</sub> flooding, and CO<sub>2</sub> water gas alternate (CO<sub>2</sub>–WAG) flooding are three commonly adopted methods to enhance the oil recovery (EOR), and the heterogeneous of reservoir has crucial influence on the oil sweep volume and oil displacement efficiency. In this work, molecular dynamic simulation was employed to investigate the displacement behavior in these three flooding methods in the heterogeneous tight reservoir. First, a single nanochannel was used to investigate the different displacement performances in these three flooding methods. Then a double nanochannel model were constructed to mimic the heterogeneous tight reservoir. The threshold injection pressure of three flooding modes was calculated. The number of displaced oil molecules was used to evaluate the oil displacement efficiency. Simulation results showed that the threshold injection pressure gave the following order: CO<sub>2</sub> flooding &lt; CO<sub>2</sub>–WAG flooding &lt; water flooding. In double nanochannel systems, the injecting water passed through the large-sized nanochannel, and the oil inside the small-sized nanochannel could not be displaced in water flooding and CO<sub>2</sub>–WAG flooding. In CO<sub>2</sub> flooding, some oil molecules inside two nanochannels were displaced, and the oil displacement efficiency in the large-size nanochannel was higher than that in the small-size nanochannel. The comparison of these three flooding methods showed that the CO<sub>2</sub>–WAG flooding has priority over the other two flooding methods, exhibiting both low threshold injection pressure of gas flooding and high oil displacement efficiency of water flooding; consequently, high EOR could be achieved. Our work was helpful to deeply understand the microscopic oil displacement processes of different flooding methods, and it has reference value for the development of tight oil reservoirs.","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"15 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interface Phenomena in Molecular Junctions through Noncovalent Interactions.
IF 3.7 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-26 DOI: 10.1021/acs.langmuir.4c04865
Jia Wang, Xiaojing Wang, Chengpeng Yao, Jizhe Xu, Dongdong Wang, Xin Zhao, Xiaohui Li, Junyang Liu, Wenjing Hong

Noncovalent interactions, both between molecules and at the molecule-electrode interfaces, play essential roles in enabling dynamic and reversible molecular behaviors, including self-assembly, recognition, and various functional properties. In macroscopic ensemble systems, these interfacial phenomena often exhibit emergent properties that arise from the synergistic interplay of multiple noncovalent interactions. However, at the single-molecule scale, precisely distinguishing, characterizing, and controlling individual noncovalent interactions remains a significant challenge. Molecular electronics offers a unique platform for constructing and characterizing both intermolecular and molecule-electrode interfaces governed by noncovalent interactions, enabling the isolated study of these fundamental interactions. Furthermore, precise control over these interfaces through noncovalent interactions facilitates the development of enhanced molecular devices. This review examines the characterization of interfacial phenomena arising from noncovalent interactions through single-molecule electrical measurements and explores their applications in molecular devices. We begin by discussing the construction of stable molecular junctions through intermolecular and molecule-electrode interfaces, followed by an analysis of electron tunneling mechanisms mediated by key noncovalent interactions and their modulation methods. We then investigate how noncovalent interactions enhance device sensitivity, stability, and functionality, establishing design principles for next-generation molecular electronics. We have also explored the potential of noncovalent interactions for bottom-up self-assembled molecular devices. The review concludes by addressing the opportunities and challenges in scaling up molecular electronics through noncovalent interactions.

{"title":"Interface Phenomena in Molecular Junctions through Noncovalent Interactions.","authors":"Jia Wang, Xiaojing Wang, Chengpeng Yao, Jizhe Xu, Dongdong Wang, Xin Zhao, Xiaohui Li, Junyang Liu, Wenjing Hong","doi":"10.1021/acs.langmuir.4c04865","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c04865","url":null,"abstract":"<p><p>Noncovalent interactions, both between molecules and at the molecule-electrode interfaces, play essential roles in enabling dynamic and reversible molecular behaviors, including self-assembly, recognition, and various functional properties. In macroscopic ensemble systems, these interfacial phenomena often exhibit emergent properties that arise from the synergistic interplay of multiple noncovalent interactions. However, at the single-molecule scale, precisely distinguishing, characterizing, and controlling individual noncovalent interactions remains a significant challenge. Molecular electronics offers a unique platform for constructing and characterizing both intermolecular and molecule-electrode interfaces governed by noncovalent interactions, enabling the isolated study of these fundamental interactions. Furthermore, precise control over these interfaces through noncovalent interactions facilitates the development of enhanced molecular devices. This review examines the characterization of interfacial phenomena arising from noncovalent interactions through single-molecule electrical measurements and explores their applications in molecular devices. We begin by discussing the construction of stable molecular junctions through intermolecular and molecule-electrode interfaces, followed by an analysis of electron tunneling mechanisms mediated by key noncovalent interactions and their modulation methods. We then investigate how noncovalent interactions enhance device sensitivity, stability, and functionality, establishing design principles for next-generation molecular electronics. We have also explored the potential of noncovalent interactions for bottom-up self-assembled molecular devices. The review concludes by addressing the opportunities and challenges in scaling up molecular electronics through noncovalent interactions.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":" ","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143514124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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