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The transport of water and protons in the cathode catalyst layer (CCL) of proton exchange membrane (PEM) fuel cells is critical for cell performance, but the underlying mechanism is still unclear. Herein, the ionomer structure and the distribution/transport characteristics of water and protons in CCLs are investigated via all-atom molecular dynamics simulations. The results show that at low water contents, isolated water clusters form in ionomer pores, while proton transport is mainly via the charged sites of the ionomer side chains and the Grotthuss mechanism. Moreover, with increasing water content, water clusters are interconnected to form continuous water channels, which provide effective paths for proton transfer via the vehicular and Grotthuss mechanisms. Increasing the ionomer mass content can enhance the dense arrangement of the ionomer, which, in turn, increases the density of charge sites and improves the proton transport efficiency. When the ionomer mass content is high, the clustering effect reduces the space for water diffusion, increases the proton transport path, and finally decreases the proton transport efficiency. By providing physics insights into the proton transport mechanism, this study is helpful for the structural design and performance improvement of CCLs of PEM fuel cells. [ABSTRACT FROM AUTHOR]

Droplet coalescence is ubiquitous in nature and, at the same time key to various technologies, such as inkjet printing. Herein, this study reports on the coalescence of polymer droplets with different chain lengths coalescing on substrates of different wettability. By means of molecular dynamics simulations of a coarse‐grained model, it is found that the rate of bridge growth is higher in the case of droplets with smaller contact angles (more wettable substrates) and decreases with the increase of the chain length of the polymers. Different behavior is also identified in the dynamics of the approach of the two droplets during coalescence with the substrate wettability playing a more important role compared to the chain length of the polymers. While the dynamics of the droplet are greatly affected by the latter parameters, the density profile and flow patterns remain the same for the different cases. Thus, this study anticipates that it provides further insights into the coalescence of liquid polymer droplets on solid substrates with implications for relevant technologies. [ABSTRACT FROM AUTHOR]

We use a standard bead-spring model and molecular dynamics simulations to study the static properties of symmetric linear multiblock copolymer chains and their blocks under poor solvent conditions in a dilute solution from the regime close to theta conditions, where the chains adopt a coil-like formation, to the poorer solvent regime where the chains collapse obtaining a globular formation and phase separation between the blocks occurs. We choose interaction parameters as is done for a standard model, i.e., the Lennard-Jones fluid and we consider symmetric chains, i.e., the multiblock copolymer consists of an even number n of alternating chemically different A and B blocks of the same length NA = NB = N. We show how usual static properties of the individual blocks and the whole multiblock chain can reflect the phase behavior of such macromolecules. Also, how parameters, such as the number of blocks n can affect properties of the individual blocks, when chains are in a poor solvent for a certain range of n. A detailed discussion of the static properties of these symmetric multiblock copolymers is also given. Our results in combination with recent simulation results on the behavior of multiblock copolymer chains provide a complete picture for the behavior of these macromolecules under poor solvent conditions, at least for this most symmetrical case. Due to the standard choice of our parameters, our system can be used as a benchmark for related models, which aim at capturing the basic aspects of the behavior of various biological systems. [ABSTRACT FROM AUTHOR]

By molecular dynamics simulation of a coarse-grained bead-spring-type model for a cylindrical molecular brush with a backbone chain of Nb effective monomers to which with grafting density σ side chains with N effective monomers are tethered, several characteristic length scales are studied for variable solvent quality. Side chain lengths are in the range 5 <= N <= 40, backbone chain lengths are in the range 50 <= Nb <= 200, and we perform a comparison to results for the bond fluctuation model on the simple cubic lattice (for which much longer chains are accessible, Nb <= 1027, and which corresponds to an athermal, very good, solvent). We obtain linear dimensions of the side chains and the backbone chain and discuss their N-dependence in terms of power laws and the associated effective exponents. We show that even at the theta point the side chains are considerably stretched, their linear dimension depending on the solvent quality only weakly. Effective persistence lengths are extracted both from the orientational correlations and from the backbone end-to-end distance; it is shown that different measures of the persistence length (which would all agree for Gaussian chains) are not mutually consistent with each other and depend distinctly both on Nb and the solvent quality. A brief discussion of pertinent experiments is given. [ABSTRACT FROM AUTHOR]

When two types of side chains (A,B) are densely grafted to a (stiff) backbone and the resulting bottlebrush polymer is in a solution under poor solvent conditions, an incompatibility between A and B leads to microphase separation in the resulting cylindrical brush. The possible types of ordering are reminiscent of the ordering of block copolymers in cylindrical confinement. Starting from this analogy, Leibler's theory of microphase separation in block copolymer melts is generalized to derive a description of the system in the weak segregation limit. Also molecular dynamics simulation results of a corresponding coarse-grained bead-spring model are presented. Using side chain lengths up to N = 50 effective monomers, the ratio of the Lennard-Jones energy parameter between unlike monomers ([variant_greek_epsilon]AB) and monomers of the same kind ([variant_greek_epsilon]AA = [variant_greek_epsilon]BB) is varied. Various correlation functions are analyzed to study the conditions when (local) Janus-cylinder-type ordering and when (local) microphase separation in the direction along the cylinder axis occurs. Both the analytical theory and the simulations give evidence for short-range order due to a tendency toward microphase separation in the axial direction, with a wavelength proportional to the side chain gyration radius, irrespective of temperature and grafting density, for a wide range of these parameters. [ABSTRACT FROM AUTHOR]

Surface nanobubbles are stable gaseous phases in liquids that form on solid substrates. While their existence has been confirmed, there are many open questions related to their formation and dissolution processes along with their structures and properties, which are difficult to investigate experimentally. To address these issues, we carried out molecular dynamics simulations based on atomistic force fields for systems comprised of water, air (N 2 and O 2 ), and a Highly Oriented Pyrolytic Graphite (HOPG) substrate. Our results provide insights into the formation/dissolution mechanisms of nanobubbles and estimates for their density, contact angle, and surface tension. We found that the formation of nanobubbles is driven by an initial nucleation process of air molecules and the subsequent coalescence of the formed air clusters. The clusters form favorably on the substrate, which provides an enhanced stability to the clusters. In contrast, nanobubbles formed in the bulk either move randomly to the substrate and spread or move to the water–air surface and pop immediately. Moreover, nanobubbles consist of a condensed gaseous phase with a surface tension smaller than that of an equivalent system under atmospheric conditions, and contact angles larger than those in the equivalent nanodroplet case. We anticipate that this study will provide useful insights into the physics of nanobubbles and will stimulate further research in the field by using all-atom simulations. [ABSTRACT FROM AUTHOR]

Self-assembly methods are used for the production of photonic and nanoporous materials derived from block copolymers. In this context, bottle-brush copolymers have demonstrated a number of advantages over the respective linear copolymers, such as faster self-assembly kinetics and a richer morphology behavior. However, the effect of intrinsic molecular stiffness on the morphology of bottle-brush copolymers has been previously overlooked. Here, we investigate the role of the intrinsic backbone chain stiffness on the morphology behavior of bottle-brush diblock copolymers by using molecular dynamics simulations of a bead-spring coarse-grained model. We focus on bottle-brush macromolecules having blocks of the same volume fraction and asymmetric-in-length side chains. We find that an increase of the backbone stiffness triggers an order–order transition from hexagonal packed cylinders to lamellar morphologies with asymmetric domain spacings, which is of particular interest for the manufacturing of nanopatterning and semiconductor applications. The change in the morphology is due to the effective many-body attractions between the blocks resulting in a parallel stacking that disrupts the symmetry of the cylindrical morphology. We anticipate that our work will underline the significance of intrinsic molecular stiffness in the self-assembly of polymer systems, which has been previously neglected. [ABSTRACT FROM AUTHOR]

Theintriguing ability of certain surfactant molecules to drivethe superspreading of liquids to complete wetting on hydrophobic substratesis central to numerous applications that range from coating flow technologyto enhanced oil recovery. Despite significant experimental efforts,the precise mechanisms underlying superspreading remain unknown todate. Here, we isolate these mechanisms by analyzing coarse-grainedmolecular dynamics simulations of surfactant molecules of varyingmolecular architecture and substrate affinity. We observe that forsuperspreading to occur, two key conditions must be simultaneouslysatisfied: the adsorption of surfactants from the liquid–vaporsurface onto the three-phase contact line augmented by local bilayerformation. Crucially, this must be coordinated with the rapid replenishmentof liquid–vapor and solid–liquid interfaces with surfactantsfrom the interior of the droplet. This article also highlights andexplores the differences between superspreading and conventional surfactants,paving the way for the design of molecular architectures tailoredspecifically for applications that rely on the control of wetting. [ABSTRACT FROM AUTHOR]

Recent developments in “superspreading” are highlighted showing this phenomenon to be due to the combined effect of diffusion processes, Marangoni stresses, surfactant, solvent and substrate chemistry, and ambient conditions. The ultimate resolution of the driving mechanisms will involve the application of molecular dynamics simulations together with continuum-scale modeling and multi-scale experimentation. [ABSTRACT FROM AUTHOR]

We investigate the critical properties of the d = 3 random-field Ising model with a Gaussian field distribution at zero temperature. By implementing suitable graph-theoretical algorithms, we perform a large-scale numerical simulation of the model for a vast range of values of the disorder strength h and system sizes V = L x L x L, with L ≤ 156. Using the sample-to-sample fluctuations of various quantities and proper finite-size scaling techniques we estimate with high accuracy the critical disorder strength hc and the correlation length exponent v. Additional simulations in the area of the estimated critical-field strength and relevant scaling analysis of the bond energy suggest bounds for the specific heat critical exponent a and the violation of the hyperscaling exponent π. Finally, a data collapse analysis of the order parameter and disconnected susceptibility provides accurate estimates for the critical exponent ratios β/v and γ/v, respectively. [ABSTRACT FROM AUTHOR]

The effects of bond randonmess on the universality aspects of a two-dimensional (d = 2) Blume-Capel model embedded in the triangular lattice are discussed. The system is studied numerically in both its first- and second-order phase-transition regimes by a comprehensive finite-size scaling analysis for a particularly suitable value of the disorder strength. We find that our data for the second-order phase transition, emerging under random bonds from the second-order regime of the pure model, are compatible with the universality class of the two-dimensional (2D) random Ising model. Furthermore, we find evidence that, the second-order transition emerging under bond randomness from the first-order regime of the pure model, belongs again to the same universality class. Although the first finding reinforces the scenario of strong universality in the 2D Ising model with quenched disorder, the second is in difference from the critical behavior, emerging under randomness, in the cases of the ex-first-order transitions of the Potts model. Finally, our results verify previous renormalization-group calculations on the Blume-Capel model with disorder in the crystal-field coupling. [ABSTRACT FROM AUTHOR]

Droplet nucleation and evaporation are ubiquitous in nature and many technological applications, such as phase-change cooling and boiling heat transfer. So far, the description of these phenomena at the molecular scale has posed challenges for modelling with most of the models being implemented on a lattice. Here, we propose an off-lattice Monte-Carlo approach combined with a grid that can be used for the investigation of droplet formation and evaporation. We provide the details of the model, its implementation as Python code, and results illustrating its dependence on various parameters. The method can be easily extended for any force-field (e.g., coarse-grained, all-atom models, and external fields, such as gravity and electric field). Thus, we anticipate that the proposed model will offer opportunities for a wide range of studies in various research areas involving droplet formation and evaporation and will also form the basis for further method developments for the molecular modelling of such phenomena. [ABSTRACT FROM AUTHOR]

We discuss a coarse-grained model recently proposed by Starr and Sciortino [J. Phys.: Condens. Matter 18, L347 (2006)] for spherical particles functionalized with short single DNA strands. The model incorporates two key aspects of DNA hybridization, i.e., the specificity of binding between DNA bases and the strong directionality of hydrogen bonds. Here, we calculate the effective potential between two DNA-functionalized particles of equal size using a parallel replica protocol. We find that the transition from bonded to unbonded configurations takes place at considerably lower temperatures compared to those that were originally predicted using standard simulations in the canonical ensemble. We put particular focus on DNA-decorations of tetrahedral and octahedral symmetry, as they are promising candidates for the self-assembly into a single-component diamond structure. Increasing colloid size hinders hybridization of the DNA strands, in agreement with experimental findings. [ABSTRACT FROM AUTHOR]

The surfactant-driven spreading of droplets is an essential process in many applications ranging from coating flow technology to enhanced oil recovery. Despite the significant advancement in describing spreading processes in surfactant-laden droplets, including the exciting phenomena of superspreading, many features of the underlying mechanisms require further understanding. Here, we have carried out molecular dynamics simulations of a coarse-grained model with a force-field obtained from the statistical associating fluid theory to study droplets laden with common and superspreading surfactants. We have confirmed the important elements of the superspreading mechanism, i.e. the adsorption of surfactant at the contact line and the fast replenishment of surfactant from the bulk. Through a detailed comparison of a range of droplets with different surfactants, our analysis has indicated that the ability of surfactant to adsorb at the interfaces is the key feature of the superspreading mechanism. To this end, surfactants that tend to form aggregates and have a strong hydrophobic attraction in the aggregated cores prevent the fast replenishment of the interfaces, resulting in reduced spreading ability. We also show that various surfactant properties, such as diffusion and architecture, play a secondary role in the spreading process. Moreover, we discuss various drop properties such as the height, contact angle, and surfactant surface concentration, highlighting differences between superspreading and common surfactants. We anticipate that our study will provide further insight for applications requiring the control of wetting. [ABSTRACT FROM AUTHOR]

Surface nanobubbles (NBs) are stable gaseous phases in liquids that form at the interface with solid substrates. They have been particularly intriguing for their high stability that contradicts theoretical expectations and their potential relevance for many technological applications. Here, we present the current state of the art in this research area by discussing and contrasting main results obtained from theory, simulation and experiment, and presenting their limitations. We also provide future perspectives anticipating that this review will stimulate further studies in the research area of surface NBs. Unlabelled Image • Review on methodologies to study surface nanobubbles, main results, advantages and limitations. • Morphological characteristics of nanobubbles under different conditions. • Methods for forming surface nanobubbles beyond spontaneous formation. • Contact-line pinning, oversaturation and other reasons for nanobubbles stability. • Future perspectives include study of external fields, substrates, contaminants, etc. [ABSTRACT FROM AUTHOR]

The breakup of liquid threads into droplets is crucial in various applications, such as nanoprinting, nanomanufacturing, and inkjet printing, where a detailed understanding of the thinning neck dynamics allows for a precise droplet control. Here, the role of surfactant in the breakup process is studied by many-body dissipative particle dynamics, in particular, the various regime transitions and thread profiles, shedding light on molecular-level intricacies of this process hitherto inaccessible to continuum theory and experiments. Moreover, the role of surfactant in the most unstable perturbation, the formed droplet size, and surfactant distributions have been unraveled. As surfactant concentration rises, both the wavelength and time to breakup steadily increase due to the lowering of surface tension below the critical micelle concentration (CMC) and viscous effects introduced by micelles above the CMC. These changes prior to the breakup lead to larger droplets being formed in cases with higher surfactant concentration. We also compared the thinning dynamics to existing theoretical predictions, revealing that the surfactant-laden breakup starts at the inertial regime and transitions into the thermal fluctuation regime when the concentration is increased. Thus, we illuminate the hitherto poorly investigated and intricate breakup process of surfactant-laden liquid threads driven by thermal fluctuations, contributing to a deeper understanding of this process at molecular scales. [ABSTRACT FROM AUTHOR]

With most of the focus to date having been on the coalescence of freely suspended droplets, much less is known about the coalescence of sessile droplets, especially in the case of droplets laden with surfactant. Here, we employ large-scale molecular dynamics simulations to investigate this phenomenon on substrates with different wettability. In particular, we unravel the mass transport mechanism of surfactant during coalescence, thus explaining the key mechanisms present in the process. Close similarities are found between the coalescence of sessile droplets with equilibrium contact angles above 90° and that of freely suspended droplets, being practically the same when the contact angle of the sessile droplets is above 140°. Here, the initial contact point is an area that creates an initial contact film of surfactant that proceeds to break into engulfed aggregates. A major change in the physics appears below the 90° contact angle, when the initial contact point becomes small and line-like, strongly affecting many aspects of the process and allowing water to take part in the coalescence from the beginning. We find growth exponents consistent with a 2/3 power law on strongly wettable substrates but no evidence of linear growth. Overall bridge growth speed increases with wettability for all surfactant concentrations, but the speeding up effect becomes weaker as surfactant concentration grows, along with a general slowdown of the coalescence compared to pure water. Concurrently, the duration of the initial thermally limited regime increases strongly by almost an order of magnitude for strongly wettable substrates. [ABSTRACT FROM AUTHOR]

• The elastocaloric effect of natural rubber under different ambient temperature conditions was obtained. • Obtained the optimum ambient temperature for the elastocaloric effect of natural rubber elasticity. • Analytical temperature variation equations for cooling and heating natural convection were provided as a function of the Fourier (Fo) and Biot (Bi) numbers. Owing to its high efficiency and specific refrigeration power, elastocaloric refrigeration is a promising technology that is potentially endowed with replacing the conventional steam compression refrigeration. Here, experimental results on the elastocaloric cooling process of natural rubber are presented, achieving a maximum temperature drop during unloading of the natural rubber of 41.30 K with a temperature difference of 68 K between hot and cold ends at an ambient temperature of 253.13 K. Moreover, analytical equations are provided for the temperature variation of cooling and heating natural convection as a function of Fo and Bi numbers, which are fitted to the experimental data and can be used to provide predictions for future elastocaloric refrigeration equipment. Thus, the study unravels the potential of natural rubber as a promising elastocaloric material and its key properties for refrigeration technology. [ABSTRACT FROM AUTHOR]

As one of the most fascinating confined water/ice phenomena, two-dimensional square ice has been extensively studied and experimentally confirmed in recent years. Apart from the unidirectional homogeneous square icing patterns considered in previous studies, the multidirectional partitioned square icing patterns are discovered in this study and characterized by molecular dynamics (MD) simulations. Square icing parameters are proposed to quantitatively distinguish the partitioned patterns from the homogeneous patterns and the liquid water. The number of graphene monolayers n is varied in this study, and the results show that it is more energetically favorable to form partitioned square icing patterns when the water molecules are confined between graphite sheets (n ≥ 2) compared to graphene (n = 1). This phenomenon is insensitive to n as long as n ≥ 2 because of the short-range nature of the interaction between water molecules and the carbon substrate. Moreover, it is energetically unfavorable to form partitioned square icing patterns for a single layer of water molecules even for n ≥ 2, verifying that the interaction between layers of water molecules is another dominant factor in the formation of partitioned structures. The conversion from partitioned structure to homogeneous square patterns is investigated by changing the pressure and the temperature. Based on the comprehensive MD simulations, this study unveils the formation mechanism of the partitioned square icing patterns. [ABSTRACT FROM AUTHOR]

We use Monte Carlo simulations to study the finite-size scaling behavior of the interfacial adsorption of the two-dimensional square-lattice q-states Potts model. We consider the pure and random-bond versions of the Potts model for q=3,4,5,8, and 10, thus probing the interfacial properties at the originally continuous, weak, and strong first-order phase transitions. For the pure systems our results support the early scaling predictions for the size dependence of the interfacial adsorption at both first- and second-order phase transitions. For the disordered systems, the interfacial adsorption at the (disordered induced) continuous transitions is discussed, applying standard scaling arguments and invoking findings for bulk critical properties. The self-averaging properties of the interfacial adsorption are also analyzed by studying the infinite limit-size extrapolation of properly defined signal-to-noise ratios. [ABSTRACT FROM AUTHOR]

The breakup of liquid threads into smaller droplets is a fundamental problem in fluid dynamics. In this study, we estimate the characteristic wavelength of the breakup process by means of many-body dissipative particle dynamics. This wavelength shows a power-law dependence on the Ohnesorge number in line with results from stability analysis. We also discover that the number of satellite droplets exhibits a power-law decay with exponent 0.72 ± 0.04 in the product of the Ohnesorge and thermal capillary numbers, while the overall size of main droplets is larger than that based on the characteristic wavelength thanks to the asynchronous breakup of the thread. Finally, we show that the formation of satellite droplets is the result of the advection of pinching points toward the main droplets in a remaining thinning neck, when the velocity gradient of the fluid exhibits two symmetric maxima. [ABSTRACT FROM AUTHOR]

In order to gain a deeper knowledge of the heat and mass transfer processes in the case of starchy fruits and vegetables during microwave drying, we have conducted an experimental study based on a developed microwave apparatus for drying potato. The changes in the temperature, drying rate, moisture content, thermal parameters, moisture state and distribution of the potatoes samples during the microwave drying process were obtained. The results show that, according to the temperature changes of the samples dried at different microwave powers (600 W, 800 W, 1000 W), the microwave drying process can be divided into three stages: heating stage, constant temperature stage, and cooling stage. The moisture content reduction of the samples in the constant temperature stage accounted for more than 90% of the total reduction. Meanwhile, as the microwave drying process goes by, the thermal conductivity and thermal diffusivity of the samples both decrease first and then increase, while the volumetric heat capacity presents an opposite trend. Moreover, the range and amplitude of transverse relaxation time of the samples reduce over the drying time, which confirms the existence of massive, outward moisture-migration in the dried samples. The loss of the weakly bound water in the moisture-migration, which is closely related to the starch, has a significant effect on the heat and mass transfer in the dried samples. [ABSTRACT FROM AUTHOR]

Droplet coalescence is an important process in nature and various technologies (e.g., inkjet printing). Here, we unveil the surfactant mass transport mechanism and report on several major differences in the coalescence of surfactant-laden droplets as compared to pure water droplets by means of molecular dynamics simulation of a coarse-grained model. Large-scale changes to bridge growth dynamics are identified, such as the lack of multiple thermally excited precursors, attenuated collective excitations after contact, slowing down in the inertial regime due to aggregate-induced rigidity and reduced water flow, and a slowing down in the coalescence rate (deceleration) when surfactant concentration increases, while at the same time, we also confirm the existence of an initial thermal, and a power-law, inertial, regime of the bridge growth dynamics in both the pure and the surfactant-laden droplets. Thus, we unveil the key mechanisms in one of the fundamental topological processes of liquid droplets containing surfactant, which is crucial in relevant technologies. [ABSTRACT FROM AUTHOR]

The performance of an electronic radiator filled with metal foam with a porosity of 96% was studied. The effect of the factors including the flow rates, the pores per linear inch (PPI) and the numbers of fins was analyzed. The results show that the electronic radiator with metal foam reflects a stronger ability of the heat transfer compared to the electronic radiator without metal foam. With the increase in the flow rate between 10 L/h and 60 L/h, the heat transfer coefficient of both of the two electronic radiators will be improved, but it is also dependent on the number of fins. In this study, we find that the heat transfer coefficient first increases and then decreases with the number of fins. The optimum number is three. As for the effect of the PPI, the higher the PPI, the larger the heat transfer coefficient, while the pressure drop always increases with the flow rates' increase, the pores per linear inch (PPI) and the numbers of fins. [ABSTRACT FROM AUTHOR]

A decline in natural snow due to global warming increases the reliance of ski resorts on artificial snow. To improve the formation rate and snow amount of artificial snow under any environmental conditions, it is necessary to use atomization technology that maintains the size of liquid drops of the snow-making spray field below a critical size, thus maximizing the number of freezing droplets into ice crystals. Here, we study the effects of the gas–liquid mass-mixing ratio (GLR) and the spacing (d) between two nozzles on the characteristics of the snow-making spray field produced by atomization technology for GLR of 0.05, 0.10, 0.15, and 0.2 and d of 5, 10, 15, and 20 cm. The measurement of the morphology, velocity, and particle-size distribution of the snow-making spray field is conducted by a laser particle-size measuring instrument, particle image velocimetry, and a high-speed camera. Our results show that both the spray cone and the intersection angles increase with the increase in the GLR in a two-nozzle arrangement, while the degree of interference between the nozzles increases with the decrease in spacing, d. We also find that the inward offset of the spray is the main reason for the increase in the intersection angle and the interference area and the deviation of the spray midline. In addition, we compare the characteristics of the spray field produced by the single and the two-nozzle systems. We conclude that the flow-field velocity of the single nozzle is smaller than that of the two nozzles and the velocity gradient of the liquid drops in the two-nozzle flow field varies greatly. The maximum vorticity (Max = 147) in the case of the two-nozzle arrangement is much larger than that of the single nozzle. Moreover, by analyzing the two-nozzle flow field at different spacings, we find that the particle-size distribution is most uniform for GLR = 0.10 and d = 15 cm. Thus, our study elucidates the characteristics of spray fields suitable for snow-making toward achieving higher quality and more efficient snow-making processes. [ABSTRACT FROM AUTHOR]

• A heat and mass transfer model of droplet for artificial snow-making was established. • The critical droplet size for artificial snow-making under different environments was obtained. • The relationship between gas-liquid mass mixing ratio and snow-making density was studied, and the optimal gas-liquid mass mixing ratio suitable for artificial snow-making was obtained. This study investigates the heat and mass transfer of liquid droplets freezing in the process of artificial snow-making, and emphatically analyses the effects of droplet size, ambient temperature and relative humidity on the evaporative cooling and freezing of liquid droplets by establishing a theoretical model. On this basis, the critical droplet size for snow-making under different environmental conditions is obtained, and the accuracy of the droplet freezing model was verified by artificial snow-making experiments. Finally, by analyzing the density of artificial snow under different environmental conditions, the optimum gas-liquid mixing mass ratio (GLR) suitable for snow-making is obtained. The results show that the liquid droplets could be frozen under the action of self-evaporation and convection heat transfer with ambient. The time required for the droplet to be frozen completely shows a positive correlation with ambient temperature, relative humidity and droplet size. In the evaporation cooling stage, the droplet cooling rate increases with the decrease of ambient temperature, and in the phase transition stage, the time for the droplet resists the latent heat of phase transition increases with the increase of the droplet size. When the droplet size is smaller than the critical size for snow-making, the artificial snow can be achieved at a maximum temperature of 3 °C. The snow density decreases with the increase of GLR. And when the GLR is greater than 0.15, the snow density tends to be stable. [ABSTRACT FROM AUTHOR]

Droplet evaporation on rough substrates is ubiquitous in nature and has numerous technological applications, such as coating. To study the evaporation characteristics of nanodroplets on substrates with different rough structures, molecular dynamics simulations have been performed. Based on the Wenzel wetting model, three systems with different rough structures were constructed, in which the ratios of contact area (RCA) between substrates and nanodroplets were 33.3%, 50%, and 66.6%, respectively. The results indicate that the evaporation pattern of the nanodroplet in the system with RCA = 33.3% is the mixed mode, the evaporation pattern of the nanodroplet in the system with RCA = 50% is the constant-contact-radius mode, and the evaporation pattern of the nanodroplet in the system with RCA = 66.6% is the constant-contact-angle mode. Meanwhile, when the temperature of substrates (T) is suddenly raised from 0.67 to 0.83 ε/kB, followed by a corresponding rise in the temperature of nanodroplets, we find that temperature and evaporation rates of the nanodroplets increase with the increase in RCA in this period. Changes in RCA that lead to the changes in substrate wettability affect the heat transfer between nanodroplets and substrates. In particular, the more the substrate wettability, the higher the heat transfer efficiency. Moreover, the wettability of the substrate in the systems with RCA = 50% and 66.6% promotes the heat and mass transfer in the three-phase contact line region of the nanodroplets during the evaporation process, while the non-wettability of the substrate in the system with RCA = 33.3% suppresses the local heat and mass transfer. This work offers further knowledge of droplet evaporation on rough substrates, which, in turn, provides a reference for the process optimization of its technological applications. [ABSTRACT FROM AUTHOR]

Atmospheric aerosols can consist of inorganic and organic substances, including surfactants at a significant concentration. Importantly, the latter can reduce the surface tension at the liquid–vapor surfaces, where they preferentially adsorb due to their amphiphilic structure. As a result, processes such as droplet coalescence, development of precipitation, and ultimately cloud lifetime may depend on the presence of surfactants in the aerosols. Here, we present a numerical model for cloud droplet formation, which is based on the Lagrangian particle-based microphysics-scheme superdroplet method and takes into account the presence of the surfactant in the droplets. Our results show that surfactant facilitates cloud formation by increasing the number and size of activated droplets, which concentrate at the bottom of the cloud, while the largest droplets are concentrated at the top of the cloud. This indicates a circulation of droplets that involves activation and growth processes from the bottom of the cloud toward the top. Moreover, our conclusions are independent of the particular approach used for modeling the diffusion of Eulerian variables due to the subgrid-scale turbulence. We anticipate that our results will enrich our understanding of the role of surfactants in the behavior of atmospheric aerosols and, importantly, will pave the way for further developments in the numerical modeling of systems with surfactants at macroscopic scales. [ABSTRACT FROM AUTHOR]

Abstract: Background: The association of shear stress (SS) with in-stent restenosis after bare metal stenting is not clear. We investigated the significance of SS on predicting areas with neointima thickness (NT) in humans and the effect of vascular brachytherapy (VBT) following coronary artery stenting on the relationship of SS with NT. Methods: By using coronary angiography and intravascular ultrasound, we performed three-dimensional (3D) artery and stent reconstruction in 14 patients at 8-month follow-up after bare metal stenting with (stent&VBT group; 7 patients) or without (stent group; 7 patients) adjunctive beta-VBT. In-stent SS was calculated by applying computational fluid dynamics to the stent reconstruction and NT was determined in 3D space. Results: NT was significantly increased in the stent group (0.2±0.16 mm vs. 0.07±0.18 mm, p <0.001). The estimated intercepts and slopes regarding the relationship of NT with SS were 0.28 mm [95% confidence interval (CI): 0.20 to 0.36 mm, p <0.001] and −0.057 mm/Pa (95% CI: −0.062 to −0.052 mm/Pa, p <0.001) respectively for the stent group, and 0.15 mm (95% CI: −0.02 to 0.31 mm, p =0.082) and −0.017 mm/Pa (95% CI: −0.023 to −0.010 mm/Pa, p <0.001) respectively for the stent&VBT group. After pooling all data together, a significant effect of VBT on the relationship between NT and SS was found [estimate of interaction term (group×SS) for stent&VBT vs. stent group: 0.04 mm/Pa; 95% CI: 0.032 to 0.049 mm/Pa, p <0.001]. Conclusions: In-stent restenosis is inversely related to SS after coronary artery stenting and VBT diminishes the inverse relationship between NT and SS. [Copyright &y& Elsevier]

We report a patient with coronary dilatation 10 weeks after paclitaxel-eluting stent implantation in the right coronary artery (RCA). Coronary angiography demonstrated a double-locular lumen dilatation in the body of the stented segment of the RCA, and intravascular ultrasound interrogation revealed the corresponding region with evidence of tissue regression behind the stent struts, incomplete stent apposition, and lumen enlargement. After three-dimensionally (3D) reconstructing the RCA, we applied computational fluid dynamics to the 3D RCA model, representing the lumen of the artery at the moment of stent implantation, and investigated the correlation of both neointimal thickness and tissue regression depth with shear stress in the stent. Neointimal thickness was found to be inversely related to shear stress, but there was no significant association of tissue regression depth with shear stress. Post-procedural stent malapposition, thrombus dissolution, and less possibly, a localized hypersensitivity reaction are potential mechanisms for the lumen enlargement in this case. [ABSTRACT FROM AUTHOR]

Abstract: We report for the first time a real three-dimensional reconstruction of the left main coronary artery, left main bifurcation, left anterior descending coronary artery and left circumflex coronary artery using biplane angiography and intravascular ultrasound imaging in a patient with a proximal stenosis in the left anterior descending coronary artery. By using computational fluid dynamics in the three-dimensional luminal model we computed endothelial shear stress, while plaque thickness was calculated as the difference between the three-dimensional lumen and outer vessel wall; plaque thickness was found to be inversely related to endothelial shear stress in the left main coronary artery and bifurcation. The application of our methodology for real three-dimensional reconstruction of the left main coronary artery and bifurcation is useful for investigating the relationship of hemodynamic parameters with plaque thickness in this critical coronary region. [Copyright &y& Elsevier]

We investigate the scaling of the interfacial adsorption of the two-dimensional Blume-Capel model using Monte Carlo simulations. In particular, we study the finite-size scaling behavior of the interfacial adsorption of the pure model at both its first- and second-order transition regimes, as well as at the vicinity of the tricritical point. Our analysis benefits from the currently existing quite accurate estimates of the relevant (tri)critical-point locations. In all studied cases, the numerical results verify to a level of high accuracy the expected scenarios derived from analytic free-energy scaling arguments. We also investigate the size dependence of the interfacial adsorption under the presence of quenched bond randomness at the originally first-order transition regime (disorder-induced continuous transition) and the relevant self-averaging properties of the system. For this ex-first-order regime, where strong transient effects are shown to be present, our findings support the scenario of a non-divergent scaling, similar to that found in the original second-order transition regime of the pure model. [ABSTRACT FROM AUTHOR]

The fresh-cut potato is popular in many foods, but its shelf-time is difficult to predict. Through orthogonal test, the fresh-cut potato was dipped in chlorine dioxide solution (100 mg/L), citric acid solution (1.5%) and potassium sorbate solution (0.1%) in order, and then packaged with polyvinylidene chloride plastic film for the best preservation effect. Then, the processed potatoes were stored in 0 °C, 4 °C, 7 °C and 10 °C. The quality-change relationship between samples over time and temperature are mainly studied by weight loss, PPO activity and total number of colonies. The results show that the weight loss, the PPO activity and the total number of colonies increased with the increase of the time and the temperature, and the temperature of 0 °C is optimum for the storage of fresh-cut potato. The kinetic models of the weight loss, the PPO activity and the total number of colonies are established based on experimental data. By comparing the predicted values with the experimental values, it is shown that the shelf-life prediction model of PPO activity can offer a more accurate prediction of the shelf life of fresh-cut potato at different temperatures. We anticipate that our results might be used to forecast and evaluate the quality of vegetables in the process of logistics. • Three different shelf-life prediction models of fresh-cut potato are provided. • The PPO activity prediction model can predict the shelf life of fresh-cut potato at different temperatures. • Effect of temperature is a key factor in the storage and transportation processes of fresh-cut potato. [ABSTRACT FROM AUTHOR]

To reach the goal of becoming carbon neutral, there is a necessity to optimize the cold logistics due to its huge energy consumption and waste. Here, the life cycle assessment method was used to calculate the carbon emissions at each step of the fruit and vegetable cold chain. Based on the energy balance equation, the refrigerated transportation methods and carbon emissions under different transportation times was studied. The results show that the carbon emission of 1 kg of fruits and vegetables in the cold logistics is 0.098 kg: In this carbon emission, the transportation step accounts for 82%, while the emission of the pre-cooling step, storage (sales) step and consumption (abandonment) step account for 7%, 6% and 5%, respectively. If the transportation time is within 5 h, the pre-cooled fruits and vegetables are best to be transported by insulated transportation. If the transportation time is between 5 and 60 h, the preferable transportation method is the cold storage transportation. Moreover, 70 kg of cold storage agent is needed per cubic meter when the latent heat of the cold storage agent is 270 kJ/kg. Comparing the cold storage transportation with the mechanical refrigerated transportation, the transportation time is less than 87 h (1.5tons) and 98 h (10tons), that is the cold storage transportation has lower carbon emission. We also found that the driving carbon emission of a 1.5tons small refrigerated truck is three times that of a 10tons heavy refrigerated truck. In order to reduce the carbon emission in the transportation step, a smaller shape factor H, a cold storage agent with a large phase change latent heat and a thicker insulation layer have been suggested. ● The CO 2 emission of three different transportation types was calculated during the cold chain. ● The time used to decide on the transportation type was provided during the cold chain based on the CO 2 emission ● The method to reduce the CO 2 emission of the transportation step has been suggested. [ABSTRACT FROM AUTHOR]

The performance of the air-cooler in refrigeration systems plays a key role in their energy efficiency. Here, the plenum-chamber coefficient was defined to investigate a possible way of enhancing the refrigeration coefficient that reflects the efficiency of the system. To investigate the influence of the plenum-chamber coefficient on the frosting and the cooling system of the air-cooler, three plenum-chamber coefficients (0.74, 0.97, 1.2) were studied under two different relative humidities. The temperature decreasing curve of the environmental chamber, the velocity distribution of the air-cooler, and the frost accumulation under and on the air-cooler were analyzed. We find that the homogeneity of the velocity distribution of the air-cooler and the frost accumulation increase with a growing plenum-chamber coefficient, while the frost accumulation on the fin will first increase and then decrease with the increase in the plenum-chamber coefficient. In general, frosting is more present when the plenum-chamber coefficient is 0.97. [ABSTRACT FROM AUTHOR]