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1.
Bioresour Technol ; 402: 130806, 2024 May 06.
Artigo em Inglês | MEDLINE | ID: mdl-38718906

RESUMO

The study investigated the inactivation of Microcystis aeruginosa using a combined approach involving thermally activated peroxyacetic acid (Heat/PAA) and thermally activated persulfate (Heat/PDS). The Heat/PDS algal inactivation process conforms to first-order reaction kinetics. Both hydroxyl radical (•OH) and sulfate radical (SO4-•) significantly impact the disruption of cell integrity, with SO4-• assuming a predominant role. PAA appears to activate organic radicals (RO•), hydroxyl (•OH), and a minimal amount of singlet oxygen (1O2). A thorough analysis underscores persulfate's superior ability to disrupt algal cell membranes. Additionally, SO4-• can convert small-molecule proteins into aromatic hydrocarbons, accelerating cell lysis. PAA can accelerate cell death by diffusing into the cell membrane and triggering advanced oxidative reactions within the cell. This study validates the effectiveness of the thermally activated persulfate process and the thermally activated peroxyacetic acid as strategies for algae inactivation.

2.
Water Res ; 257: 121700, 2024 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-38705068

RESUMO

Sulfur-based denitrification is a promising technology in treatments of nitrate-contaminated wastewaters. However, due to weak bioavailability and electron-donating capability of elemental sulfur, its sulfur-to-nitrate ratio has long been low, limiting the support for dissimilatory nitrate reduction to ammonium (DNRA) process. Using a long-term sulfur-packed reactor, we demonstrate here for the first time that DNRA in sulfur-based system is not negligible, but rather contributes a remarkable 40.5 %-61.1 % of the total nitrate biotransformation for ammonium production. Through combination of kinetic experiments, electron flow analysis, 16S rRNA amplicon, and microbial network succession, we unveil a cryptic in-situ sulfur disproportionation (SDP) process which significantly facilitates DNRA via enhancing mass transfer and multiplying 86.7-210.9 % of bioavailable electrons. Metagenome assembly and single-copy gene phylogenetic analysis elucidate the abundant genomes, including uc_VadinHA17, PHOS-HE36, JALNZU01, Thiobacillus, and Rubrivivax, harboring complete genes for ammonification. Notably, a unique group of self-SDP-coupled DNRA microorganism was identified. This study unravels a previously concealed fate of DNRA, which highlights the tremendous potential for ammonium recovery and greenhouse gas mitigation. Discovery of a new coupling between nitrogen and sulfur cycles underscores great revision needs of sulfur-driven denitrification technology.

3.
Bioresour Technol ; 401: 130760, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38692376

RESUMO

This study aims to apply the Absorbing oxygen carriers (AOCs) to induce the migration and transformation of phosphorus compounds during the microwave thermal conversion of sludge so the hard-to-extract organic phosphorus (OP) can be converted to easy-to-extract inorganic phosphorus (IP) and be enriched onto the sludge char. The AOCs were recycled by screen separation from the IP-rich sludge char, with the latter being a renewable phosphorus source from sludge. The AOCs in this novel process enhanced the conversion efficiency of OP into non-apatite inorganic phosphorus (NAlP), which was further converted to apatite inorganic phosphorus (AP). Most phosphorus in the sludge char is presented in the form of orthophosphate.


Assuntos
Micro-Ondas , Oxigênio , Fósforo , Esgotos , Esgotos/química , Oxigênio/química , Temperatura
4.
Sci Total Environ ; 931: 172466, 2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38626826

RESUMO

The burgeoning issue of plasmid-mediated resistance genes (ARGs) dissemination poses a significant threat to environmental integrity. However, the prediction of ARGs prevalence is overlooked, especially for emerging ARGs that are potentially evolving gene exchange hotspot. Here, we explored to classify plasmid or chromosome sequences and detect resistance gene prevalence by using DNABERT. Initially, the DNABERT fine-tuned in plasmid and chromosome sequences followed by multilayer perceptron (MLP) classifier could achieve 0.764 AUC (Area under curve) on external datasets across 23 genera, outperforming 0.02 AUC than traditional statistic-based model. Furthermore, Escherichia, Pseudomonas single genera based model were also be trained to explore its predict performance to ARGs prevalence detection. By integrating K-mer frequency attributes, our model could boost the performance to predict the prevalence of ARGs in an external dataset in Escherichia with 0.0281-0.0615 AUC and Pseudomonas with 0.0196-0.0928 AUC. Finally, we established a random forest model aimed at forecasting the relative conjugation transfer rate of plasmids with 0.7956 AUC, drawing on data from existing literature. It identifies the plasmid's repression status, cellular density, and temperature as the most important factors influencing transfer frequency. With these two models combined, they provide useful reference for quick and low-cost integrated evaluation of resistance gene transfer, accelerating the process of computer-assisted quantitative risk assessment of ARGs transfer in environmental field.


Assuntos
Transferência Genética Horizontal , Plasmídeos , Plasmídeos/genética , Conjugação Genética , Farmacorresistência Bacteriana/genética , Pseudomonas/genética
5.
Bioresour Technol ; 401: 130748, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38677387

RESUMO

Greenhouse gas (GHG) emissions from biological treatment units are challenging wastewater treatment plants (WWTPs) due to their wide applications and global warming. This study aimed to reduce GHG emissions (especially N2O) using a gas circulation strategy in a closed sequencing-batch reactor when the biological unit varies from activated sludge (AS) to aerobic granular sludge (AGS). Results show that gas circulation lowers pH to 6.3 ± 0.2, facilitating regular granules but elevating total N2O production. From AS to AGS, N2O emission factor increased (0.07-0.86 %) due to decreasing ammonia-oxidizing rates while the emissions of CO2 (0.3 ± 0.1 kg-CO2/kg-chemical oxygen demand) and CH4 remained in the closed biosystem. The gas circulation decreased N2O emission factor by 63 ± 15 % after granulation higher than 44 ± 34 % before granulation, which is implemented by heterotrophic denitrification. This study provides a feasible strategy to enhance heterotrophic N2O elimination in the biological WWTPs.


Assuntos
Reatores Biológicos , Gases de Efeito Estufa , Óxido Nitroso , Esgotos , Aerobiose , Óxido Nitroso/metabolismo , Metano/metabolismo , Dióxido de Carbono , Amônia/metabolismo , Concentração de Íons de Hidrogênio
6.
Chemosphere ; 355: 141703, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38490609

RESUMO

The wettability of the surface of hydrophilic cotton fabrics was modified using a one-step protocol with tannic acid (TA) to provide its excess catechol groups to be grafted with 1-eicosanamine at pH 8.5 and room temperature with catalysts CuSO4/H2O2. The modification over the synthesis conditions revised the contact angles of water and diiodomethane droplets from 132.68 ± 0.49° to 143.95 ± 0.80° and from 100.08°±1.42° to 82.96 ± 1.38°, respectively. The corresponding dispersive of the so-yielded cotton surface ranged from 8.6 to 16.0 mJ/m2, and the polar components ranged from 0.08 to 2.7 mJ/m2, much lower than polytetrafluoroethylene. The modified cotton fabrics are omniphobic and can repel water and commercial oil products. The absorption tests revealed that the modified cotton fabrics absorbed 1.10 g hexane/g cotton by contacting hexane (top)-water (bottom) layers and absorbed 1.26 g hexane/g cotton by contacting water first for 30 s, then hexane for another 30 s. The modified fabrics reveal good absorption reusability as hexane absorbent is even pre-saturated with water. This conclusion is also valid for commercial unleaded gasoline #95 and diesel. A parametric study revealed that the added catalysts and prolonged reaction time would enhance the hydrophobicity of the surface. These modified cotton fabrics can absorb oil from water and oil spills. Mechanisms corresponding to this observation are discussed.


Assuntos
Fibra de Algodão , Hexanos , Polifenóis , Peróxido de Hidrogênio
7.
Bioresour Technol ; 398: 130479, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38395232

RESUMO

Efficient quorum sensing (QS) response is the premise for recovering the activities of stored aerobic granular sludge (AGS). This study aims to explore the crosstalk between the secondary messenger and the N-acylated-homoserine lactones (AHLs) to yield protein-rich granules efficiently from stored AGS by enhancing its QS efficiency selectively. 80 nmol/L cyclic diguanylate (c-di-GMP) with 20 nmol/L AHLs could increase the activity of isocitrate lyase activity (ICD) by 89 % and isocitrate dehydrogenase activity (ICDHc) by 113.5 %, to accelerate the tricarboxylic acid (TCA) cycle for yielding excess proteins by 166.4 %. In contrast, 80 nmol/L autoinducer-2 (AI-2) with 20 nmol/L AHLs could increase the activities of ICD and ICDHc by 485 % and 54.5 %, respectively, accelerating the glyoxylate (GCA) cycle to activate fat acid synthesis for stimulating polysaccharides (PS) secretion by 137.9 %. The strategy with c-di-GMP successfully recovers the refrigerated-stored and dried-stored AGS into proteins-rich AGS, with enriched functional strains for the PN secretion.


Assuntos
Acil-Butirolactonas , Homosserina/análogos & derivados , Esgotos , Acil-Butirolactonas/metabolismo , Percepção de Quorum , Lactonas , Sistemas do Segundo Mensageiro
8.
Langmuir ; 40(6): 3248-3259, 2024 Feb 13.
Artigo em Inglês | MEDLINE | ID: mdl-38298055

RESUMO

Coalescence-induced jumping has promised a substantial reduction in the droplet detachment size and consequently shows great potential for heat-transfer enhancement in dropwise condensation. In this work, using molecular dynamics simulations, the evolution dynamics of the liquid bridge and the jumping velocity during coalescence-induced nanodroplet jumping under a perpendicular electric field are studied for the first time to further promote jumping. It is found that using a constant electric field, the jumping performance at the small intensity is weakened owing to the continuously decreased interfacial tension. There is a critical intensity above which the electric field can considerably enhance the stretching effect with a stronger liquid-bridge impact and, hence, improve the jumping performance. For canceling the inhibition effect of the interfacial tension under the condition of the weak electric field, a square-pulsed electric field with a paused electrical effect at the expansion stage of the liquid bridge is proposed and presents an efficient nanodroplet jumping even using the weak electric field.

9.
Bioresour Technol ; 394: 130291, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38184089

RESUMO

Biochar is a promising carbon sink whose application can assist in reducing carbon emissions. Development of this technology currently relies on experimental trials, which are time-consuming and labor-intensive. Machine learning (ML) technology presents a potential solution for streamlining this process. This review summarizes the current research on ML's applications in biochar production, characterization, and applications. It briefly explains commonly used machine learning algorithms and discusses prospects and challenges. A hybrid model that combines ML with mechanism-based analysis could be a future trend, addressing the ML's black-box nature. While biochar studies have adopted ML technology, current works mostly use lab-scale data for model training. Further work is needed to develop ML models based on pilot or industrial-scale data to realize the use of ML techniques for the field application of biochar.


Assuntos
Carbono , Carvão Vegetal , Algoritmos , Aprendizado de Máquina
10.
Environ Res ; 242: 117658, 2024 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-37979929

RESUMO

Enzymatic hydrolysis is an essential step in the lignocellulosic biorefining process. In this paper, Box-Behnken was used to optimize the enzymatic hydrolysis process of corn stalk, and the promotion effect of three typical surfactants on the enzymatic hydrolysis process was investigated. The experimental results showed that the total reducing sugar yield reached 67.6% under the best-predicted conditions. When the concentration of Tween 80 is 0.1%, it could be increased to 80.2%. In addition, the Impeded Michaels Model (IMM) is introduced in this study to describe the enzymatic hydrolysis process of corn stalks. Finally, the initial contact coefficient between the enzyme and cellulose (Kobs,0) and the gradual loss coefficient of enzyme activity (ki) caused by reaction obstruction were obtained by fitting data, which successfully verified the rationality of the model.


Assuntos
Celulose , Zea mays , Polissorbatos , Hidrólise , Tensoativos
11.
Environ Pollut ; 344: 123223, 2024 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-38158009

RESUMO

Electrospun nanofiber membranes have emerged as a novel catalyst, demonstrating exceptional efficacy in advanced oxidation processes (AOPs) for the degradation of organic pollutants. Their superior performance can be attributed to their substantial specific surface area, high porosity, ease of modification, rapid recovery, and unparalleled chemical stability. This paper aims to comprehensively explore the progressive applications and underlying mechanisms of electrospun nanofibers in AOPs, which include Fenton-like processes, photocatalysis, catalytic ozonation, and persulfate oxidation. A detailed discussion on the mechanism and efficiency of the catalytic process, which is influenced by the primary components of the electrospun catalyst, is presented. Additionally, the paper examines how concentration, viscosity, and molecular weight affect the characteristics of the spinning materials and seeks to provide a thorough understanding of electrospinning technology to enhance water treatment methods. The review proposes that electrospun nanofiber membranes hold significant potential for enhancing water treatment processes using advanced oxidation methods. This is attributed to their advantageous properties and the tunable nature of the electrospinning process, paving the way for advancements in water treatment through AOPs.


Assuntos
Nanofibras , Poluentes Químicos da Água , Purificação da Água , Nanofibras/química , Oxirredução , Purificação da Água/métodos , Poluentes Químicos da Água/química
12.
Langmuir ; 39(51): 19037-19047, 2023 Dec 26.
Artigo em Inglês | MEDLINE | ID: mdl-38096493

RESUMO

Reducing the contact time during the droplet impact on the surface is crucial for anti-icing, self-cleaning, and heat transfer optimization applications. This study aims to minimize the contact time by modifying the surface curvature to create an asymmetric impact process. Our experiments showed that the increase in Weber numbers (We) and the decrease in the ratio of surface diameter to droplet diameter (D*) intensify the asymmetry of the impact process, yielding four distinct rebound modes. Low asymmetry observes the liquid retract toward the central point (Rebound Modes 1 and 2), whereas high asymmetry yields a wing-like rebound (Rebound Modes 3 and 4). In Rebound Mode 1, increased asymmetry would lead to more extended contact due to the prolonged waiting period. Conversely, the reduction in contact time in Rebound Mode 2 occurs due to increased asymmetry with no waiting period. For Rebound Modes 3 and 4, the retraction time could be divided into three stages, generated by two liquid detachment modes from the surface. Analysis reveals that an increased asymmetry would reduce the retraction time during the first stage but prolong it during the third stage, with no significant effects on the second. Four correlations, each pertaining to a distinct impact mode, are proposed based on these analyses to describe the contact time concerning We and D* for droplets impacting a superhydrophobic cylindrical surface.

13.
Langmuir ; 39(50): 18644-18653, 2023 Dec 19.
Artigo em Inglês | MEDLINE | ID: mdl-38051278

RESUMO

This study investigates whether adding ridges to a superhydrophobic cylindrical surface can reduce contact times compared to those of ridged flat or cylindrical surfaces, inspired by the shortened contact time achieved by adding ridges to flat surfaces. The study focuses on studying azimuthal ridges on the cylinder through experimentation, emphasizing the impact dynamics and contact time characteristics under varying We (Weber number) and D* (dimensionless droplet diameter). Within the ultralow Weber number range (ULWR), low Weber number range (LWR), and medium Weber number range (MWR), the contact time is longer than on ridged flat surfaces. In the high Weber number range (HWR), the opposite is observed: increased inertial forces lead to the rupture of the liquid film above the ridges due to Rayleigh-Plateau instability. As a result, the primary droplet splits into two sections with curvature effects promoting its recoiling and rebounding. This study introduces a criterion, defined as C = We/D*, and finds that when C exceeds 2.42, not only is the contact time shorter than on ridged flat or cylindrical surfaces, but it also further decreases with an increase in We or a decrease in D*. The contact time characteristics observed in the HWR offer potential applications in areas such as anti-icing.

14.
Langmuir ; 39(45): 16023-16034, 2023 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-37916520

RESUMO

Extensive research has shown that a superhydrophobic cylindrical substrate could lead to a noncircumferential symmetry of an impacting droplet, reducing the contact time accordingly. It is of practical significance in applications, such as anti-icing, anticorrosion, and antifogging. However, few accounts have adequately addressed the off-centered impact of the droplet, despite it being more common in practice. This work investigates the dynamic behavior of a droplet off-centered impacting a superhydrophobic cylinder via the lattice Boltzmann method. The effect of the off-centered distance is primarily discussed for droplets taking various Weber numbers and cylinder sizes. The results show that the imposition of an off-center distance can further disrupt the droplet symmetry during the impact. As the off-center distance increases, the droplet movement is gradually tilted toward the offset side until it tangentially passes the cylinder side, resulting in a direct dripping mode. The dynamic features, focusing mainly on maximum spreading in the axial direction and contact time, are specifically explored. A quantitative model of the maximum spreading factor is proposed based on the equivalent transformation from the off-center impact into oblique hitting, considering the full range of off-centered distance. A preliminary contact time model is established for droplet off-centered impacting superhydrophobic cylinders by substituting the maximum spreading and the effective velocity of the liquid moving. This work aims to make an original contribution to the fundamental knowledge of droplet impact and could be of value for related applications.

15.
Bioresour Technol ; 390: 129858, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37863332

RESUMO

Food waste biorefinery is a sustainable approach to producing green chemicals, however the essential substrate-related factors hindering the efficacy of enzymatic hydrolysis have never been clarified. This study explored the key rate-limiting parameters and mechanisms of carbohydrate-rich food after different cooking and storing methods, i.e., impacts of compositions, structural diversities, and hornification. Shake-flask enzymatic kinetics determined the optimal dosages (0.5 wt% glucoamylase, 3 wt% cellulase) for food waste hydrolysis. First order kinetics and simulation results determined that reaction coefficient (K) of cooked starchy food was âˆ¼ 3.63 h-1 (92 % amylum digestibility) within 2 h, while those for cooked cellulosic vegetables were 0.25-0.5 h-1 after 12 h of hydrolysis. Drying and frying reduced âˆ¼ 71-89 % hydrolysis rates for rice, while hydrothermal pretreatment increased the hydrolysis rate by 82 % on vegetable wastes. This study provided insights into advanced control strategy and reduced the operational costs by optimized enzyme doses for food waste valorization.


Assuntos
Celulase , Eliminação de Resíduos , Cinética , Carboidratos , Verduras/metabolismo , Amido , Hidrólise , Celulase/metabolismo
16.
Sci Total Environ ; 905: 167142, 2023 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-37722432

RESUMO

Old-fashioned wastewater treatments for nitrogen depend on heterotrophic denitrification process. It would utilize extra organic carbon source as electron donors when the C/N of domestic wastewater was too low to ensure heterotrophic denitrification process. It would lead to non-compliance with carbon reduction targets and impose an economic burden on wastewater treatment. Denitrifying anaerobic methane oxidation (DAMO), which could utilize methane serving as electron donors to replace traditional organic carbon (methanol or sodium acetate), supplies a novel approach for wastewater treatment. As the primary component of biogas, methane is an inexpensive carbon source. With anaerobic digestion becoming increasingly popular for sludge reduction in wastewater treatment plants (WWTPs), efficient biogas utilization through DAMO can offer an environmentally friendly option for in-situ biogas recycling. Here, we reviewed the metabolic principle and relevant research for DAMO and biogas recycling utilization, outlining the prospect of employing DAMO for wastewater treatment and biogas recycling utilization in WWTPs. The application of DAMO provides a new focal point for enhancing efficiency and sustainability in WWTPs.


Assuntos
Compostos de Amônio , Purificação da Água , Humanos , Águas Residuárias , Biocombustíveis , Metano/metabolismo , Anaerobiose , Desnitrificação , Oxirredução , Reatores Biológicos , Nitrogênio/metabolismo , Carbono , Nitritos , Compostos de Amônio/metabolismo
17.
Langmuir ; 39(37): 13371-13385, 2023 Sep 19.
Artigo em Inglês | MEDLINE | ID: mdl-37675482

RESUMO

Profiting from their slippery nature, lubricant-infused porous surfaces endow with droplets excellent mobility and consequently promise remarkable heat transfer improvement for dropwise condensation. To be a four-phase wetting system, the droplet wettability configurations and the corresponding dynamic characteristics on lubricant-infused porous surfaces are closely related to many factors, such as multiple interfacial interactions, surface features, and lubricant thickness, which keeps a long-standing challenge to promulgate the underlying physics. In this work, thermodynamically theoretical analysis and three-dimensional molecular dynamics simulations with the coarse-grained water and hexane models are carried out to explore droplet wettability and mobility on lubricant-infused porous surfaces. Combined with accessible theoretical criteria, phase diagrams of droplet configurations are constructed with a comprehensive consideration of interfacial interactions, surface structures, and lubricant thickness. Subsequently, droplet sliding and coalescence dynamics are quantitatively defined under different configurations. Finally, in terms of the promotion of dropwise condensation, a non-cloaking configuration with the encapsulated state underneath the droplet is recommended to achieve high droplet mobility owing to the low viscous drag of the lubricant and the eliminated pinning effect of the contact line. On the basis of the low oil-water and water-solid interactions, a stable lubricant layer with a relatively low thickness is suggested to construct slippery surfaces.

18.
Int J Biol Macromol ; 253(Pt 2): 126748, 2023 Dec 31.
Artigo em Inglês | MEDLINE | ID: mdl-37689292

RESUMO

A protocol to produce a silsesquioxane (POSS) with a long alkyl chain coating on natural cotton (CT) fabric is applied. The surface hydroxyl groups of cotton fabric are converted with 3-mercaptopropyltriethoxysilane (MPTES) to thiol groups. Then the POSS links to the thiol groups by thiol-ene click reactions triggered by UV irradiation to produce POSS-CT or grafted with 1-octadecanethiol (ODT) using one-pot or two-pot modification protocols to generate the ODT-POSS-CT fabrics. The POSS-CT is highly hydrophobic, could absorb 0.96 g hexane/g fabrics when competing with invaded water, and reach 1.12 hexane g/g fabrics when water was absorbed separately. The one-pot modification protocol yielded surfaces with almost constant water contact angle (144o) and perfect wetting by diiodomethane (0o), producing constant dispersive component (50.8 mJ/m2) and polar component (13.6 mJ/m2). The ODT-POSS-CT via two-pot modification leads to water contact angles >143o and diiodomethane contact angle of about 46o, with corresponding dispersive and polar components being 36.1 mJ/m2 and 9.4 mJ/m2, respectively. The complete grafting of ODT onto POSS yields a compact hydrophobic layer with reduced effective surface area for dispersive components, transferring the surface from hydrophobic to omniphobic for both water and diiodomethane.


Assuntos
Hexanos , Compostos de Sulfidrila , Interações Hidrofóbicas e Hidrofílicas , Compostos de Sulfidrila/química
19.
Bioresour Technol ; 388: 129752, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37714495

RESUMO

Photosynthetic O2 is a promising alternative for mechanical aeration, the major energy-intensive unit in wastewater treatment plants. This study aimed to investigate the effects of light intensity varied from 190 to 1400 µmol·s-1·m-2 on photosynthetic O2-supported algal-bacterial aerobic granular sludge (AGS) system. Results indicate photosynthetic O2 can implement aerobic phosphorus (P) uptake and ammonia oxidation under the test illumination range even at dissolved oxygen concentration < 0.5 mg/L. An obvious O2 accumulation occurred after 60-90% nutrients being removed under 330-1400 µmol·s-1·m-2, and highly efficient ammonia removal, P uptake, and dissolved inorganic carbon removal were achieved under 670-1400 µmol·s-1·m-2. On the other hand, photosynthesis as O2 supplier showed little effect on major ions except for K+. This study provides a better understanding of the roles of light intensity on photosynthetic O2-supported algal-bacterial AGS system, targeting a sustainable wastewater industry.


Assuntos
Esgotos , Águas Residuárias , Nitrogênio , Fósforo , Oxigênio , Carbono , Amônia , Reatores Biológicos , Bactérias Gram-Negativas , Bactérias , Eliminação de Resíduos Líquidos
20.
Langmuir ; 39(33): 11760-11768, 2023 Aug 22.
Artigo em Inglês | MEDLINE | ID: mdl-37555811

RESUMO

Using molecular dynamics simulations, we investigate the air hole formation of water nanodroplets impacting hydrophilic to hydrophobic surfaces in the range of static contact angles from 30° to 140° with different initial surface temperatures ranging from 300 to 1000 K. We show that the hole dynamics of nanodroplets are different from those observed in millimeter-sized droplets. The hole formation can be observed on smooth surfaces for nanodroplets; however, it only occurs on nonsmooth surfaces for millimeter-sized droplets. We clarify that the hole formation of nanodroplets is triggered by a nucleated vapor bubble due to thermodynamic instability, whereas it is initiated by air bubble entrapment during impact due to hydrodynamic instability for millimeter-sized droplets. The hole formation of nanodroplets relies heavily on the surface temperature and surface wettability, because the nucleated vapor bubble more easily occurs and grows on the surface with high initial temperatures and hydrophobic surfaces. Based on the thermal stability analysis, a criterion is developed to predict the hole formation of nanodroplets, which verifies the dependence of hole formation on the surface temperature and wettability. Furthermore, we show that the ring-bouncing of nanodroplets is triggered by the nucleated vapor bubble. We clarify the reasons for the reduced contact time of nanodroplets caused by the ring-bouncing.

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