Gas Mixture Research Articles

Liquefaction efficiency study of heterogeneous condensation of methane-ethane binary gas mixtures with different component contents

Natural gas is a mixture of hydrocarbons. During the liquefaction of natural gas, the mixed gas undergoes heterogeneous condensation on the surface of the heat exchanger. Currently, the heterogeneous condensation mechanism of mixed gases is not fully understood, and the influence of component content on the liquefaction efficiency is not clear. Therefore, the molecular dynamics simulation was employed to investigate the heterogeneous condensation process of methane-ethane binary mixed gas on a solid surface. The characteristics of condensation nucleation cluster growth was explored and the variations in temperature, density, heat flux, and liquefaction rate were analyzed. The impact of ethane on methane condensation was also discussed. The results indicate that increasing wettability enhances surface nucleation quantity and shortens nucleation time, resulting in a 3.6- times increase in heat flux. The addition of ethane gas in the system promotes condensation nucleation, which increases the liquefaction rate by 60% when x = 20% compared to the pure methane system. However, for methane gas, ethane only benefits the liquefaction of methane molecules in the initial nucleation stage. As the mixture in the system enters the cluster growth stage, component migration in the mixed gas leads to a lower liquefaction rate compared to pure methane gas.

Hollow Fiber Contactors with Improved Hydrophobicity for Acid Gas Removal: Progress and Recent Advances

The gas–liquid membrane contactor technology, which integrates the absorption process with membranes, is a developing membrane technology that is especially pertinent to acid gas absorption. When it comes to removing acid gases from natural gas or after combustion, membrane technology has demonstrated potential as a substitute for conventional absorption columns. The membrane contactor offers exceptional operating flexibility and a high mass transfer area. In addition to summarizing the key elements of membrane materials, absorbents, and membrane contactor design, this paper presents the working principle and wetting mechanism of hollow membrane contactors and focuses the most recent advancements in membrane contactor research in gas separation from gas mixtures. The state-of-the-art overview of highly hydrophobic microporous membranes is presented after a discussion of the main challenges to the preparation of superhydrophobic membranes.

Implementation of a Drift Flux Model into SAM with Development of a Verification and Validation Test Suite for Modeling of Noncondensable Gas Mixtures

The advanced thermal-hydraulic system code, System Analysis Module (SAM), was originally developed for the modeling of single-phase flow in advanced reactors. It has since been expanded to include a four-equation drift flux model for the modeling of two-phase flows containing a noncondensable gas. The model was expanded to support the modeling of molten salt reactor (MSR) designs in which the fuel is directly dissolved in the circulating coolant. These designs have shown that circulating gas bubbles can play an important role in the management of fission products and the operational behavior of the reactor. A drift flux model was implemented to more accurately capture the localized behavior of the void in the core and its impact on the mass transfer of fission products. A thorough assessment of the new model was performed by developing a verification and validation test suite. Verification problems were designed to test all major terms in the new governing equations. The new model converged to the correct solution at the expected order of accuracy for all verification cases. The validation cases included a wide range of flow and void conditions in different pipe geometries. Although higher void experiments show a slight underprediction of void by the drift flux model, experiments that aim to reproduce Molten Salt Reactor Experiment (MSRE) experimental conditions show good agreement with the model. The gas transport model was activated for a SAM model of the MSRE to demonstrate that it can be used in a more complex model. This gas transport model will be used along with an interfacial area transport equation being implemented in SAM for the prediction of mass transport behavior in MSR conditions.

Effect of complex ionic liquid additives on the formation kinetics and separation efficiency of binary gas mixture hydrates

Rising carbon emissions worldwide have necessitated the discovery of efficient CO2 separation and capture technologies. Owing to their good CO2 selectivity, imidazolium-based ionic liquids (ILs) have been used as additives in hydrate-based gas separation (HBGS) technologies. Sodium dodecyl sulfate (SDS) can notably improve the rate of hydrate formation when used as a surfactant. However, the synergistic effect of imidazolium-based ILs and SDS remains unknown. This study aimed at investigating the synergistic effect of imidazolium-based ILs and SDS on the hydrate formation kinetics of binary gas mixtures of CO2/N2 at different temperatures. The carbon capture and storage capacity was determined, and HBGS was evaluated using pure imidazolium-based IL 1-butyl-3-methylimidazolium octyl sulfate ([BMIM] [OS]) and composites of IL and SDS as additives. Compared with pure water, [BMIM] [OS] effectively promoted gas hydrate formation and increased CO2 consumption by 107.9 %. The maximum CO2 separation factor was obtained at 273.15 K, and the mixed additive significantly enhanced gas consumption by 11.1 %. X-ray diffraction and Raman spectroscopy analysis indicated that the hydrate samples were type I structural hydrates and that [BMIM] [OS] improved the mass transfer process. The results of this study provide a theoretical basis for CO2 gas separation and capture.

Tailored Postsynthetic Nitration of a Hypercrosslinked Polymer for Single-Step Ethylene Purification from a Ternary C2 Gas Mixture.

Purifying C2H4 from a ternary C2H2/C2H4/C2H6 mixture poses a substantial industrial challenge due to their close physical and chemical properties. In this study, we introduce an innovative design approach to regulate and optimize the nitration degree of a hypercrosslinked polymer to achieve targeted separation performance. We synthesized a porous organic polymer (HCP) using the solvent knitting method and carried out its postsynthetic nitration, resulting in HCP-NO2-1 and HCP-NO2-2 with different nitration degrees. Notably, the adsorption capacity shifted from C2H6 > C2H4 ≈ C2H2 for HCP to C2H2 > C2H6 > C2H4 for HCP-NO2-1 and to C2H2 > C2H4 ≈ C2H6 for HCP-NO2-2, demonstrating the controllable nature of the separation process via the polar nitro group insertion. Remarkably, HCP-NO2-1 exhibited a desirable, selective separation of C2H4 from the C2H6/C2H4/C2H2 mixture thanks to an exquisite combination of the acidic proton-polar nitro group and nonpolar C-H∙∙∙π interactions. Separation capability was further corroborated by computational simulations and breakthrough tests. This work marks a significant advancement as the first successful postsynthetic functionalization strategy for C2H4 purification from a ternary gas mixture among porous organic polymers.

An oxidation flow reactor for simulating and accelerating secondary aerosol formation in aerosol liquid water and cloud droplets

Abstract. Liquid water in cloud droplets and aqueous aerosols serves as an important reaction medium for the formation of secondary aerosol through aqueous-phase reactions (aqSA). Large uncertainties remain in estimates of the production and chemical evolution of aqSA in the dilute solutions found in cloud droplets and the concentrated solutions found in aerosol liquid water, which is partly due to the lack of available measurement tools and techniques. A new oxidation flow reactor (OFR), the Accelerated Production and Processing of Aerosols (APPA) reactor, was developed to measure secondary aerosol formed through gas- and aqueous-phase reactions, both for laboratory gas mixtures containing one or more precursors and for ambient air. For simulating in-cloud processes, ∼ 3.3 µm diameter droplets formed on monodisperse seed particles are introduced into the top of the reactor, and the relative humidity (RH) inside it is controlled to 100 %. Similar measurements made with the RH in the reactor < 100 % provide contrasts for aerosol formation with no liquid water and with varying amounts of aerosol liquid water. The reactor was characterized through a series of experiments and used to form secondary aerosol from known concentrations of an organic precursor and from ambient air. The residence time distributions of both gases and particles are narrow relative to other OFRs and lack the tails at long residence time expected with laminar flow. Initial cloud processing experiments focused on the well-studied oxidation of dissolved SO2 by O3, with the observed growth of seed particles resulting from the added sulfuric acid agreeing well with estimates based on the relevant set of aqueous-phase reactions. The OH exposure (OHexp) for low RH, high RH, and in-cloud conditions was determined experimentally from the loss of SO2 and benzene and simulated from the KinSim chemical kinetics solver with inputs of the measured 254 nm UV intensity profile through the reactor and loss of O3 due to photolysis. The aerosol yield for toluene at high OHexp ranged from 21.4 % at low RH with dry seed particles present in the reactor to 78.1 % with cloud droplets present. Measurement of the composition of the secondary aerosol formed from ambient air using an aerosol mass spectrometer showed that the oxygen-to-carbon ratio (O : C) of the organic component increased with increasing RH (and liquid water content).

Investigation of Arc Dynamic Behavior Change Induced by Various Parameter Configurations for C4F7N/CO2 Gas Mixture

This study investigates the feasibility of using a mixture of C4F7N/CO2 gases as an eco-friendly arcing medium for high-voltage circuit breakers, comparing its performance to that of conventional SF6 gas. An existing magnetohydrodynamic (MHD)-based arc model is modified to incorporate the non-recombination characteristics of C4F7N. The temperature, pressure, and velocity distributions of the arc throughout the whole arcing process are systematically analyzed. First, the differences in multi-physical fields induced by the C4F7N non-recombination feature are highlighted. The effects of varying the C4F7N concentration from 4% to 10% in the C4F7N/CO2 gas mixture on the arc behavior are also computationally studied. The results indicate significant differences in the arc-extinguishing performance between C4F7N/CO2 and SF6 under identical operating conditions. The potential of using C4F7N/CO2 as a viable alternative to SF6 in circuit breaker applications may need further design efforts to optimize key components such as the driving mechanism and nozzle. Moreover, as the concentration of C4F7N increases, the gas mixture exhibits improved flow field characteristics, suggesting that a higher volume concentration of C4F7N enhances the gas’s short-circuit current interruption capabilities.

Manganite Heterostructures: SrIrO<sub>3</sub>/La<sub>0.7</sub>Sr<sub>0.3</sub>MnO<sub>3</sub> and Pt/La<sub>0.7</sub>Sr<sub>0.3</sub>MnO<sub>3</sub> for Generation and Registration of Spin Current

This paper presents the results of experimental studies of the cross section of the boundaries of the SrIrO3/La0.7Sr0.3MnO3 и Pt/La0.7Sr0.3MnO3, heterostructures, in which, upon excitation of ferromagnetic resonance in a La0.7Sr0.3MnO3 film, a spin current arises that flows through the boundary in structure. Epitaxial growth of thin films of strontium iridate SrIrO3 and manganite La0.7Sr0.3MnO3 on a (110) NdGaO3 single-crystal substrate was carried out using magnetron sputtering at high temperature in a mixture of argon and oxygen gases. The spin mixing conductance, which determines the amplitude of the spin current and generally has real Re g↑↓ and imaginary Im g↑↓ parts, was determined from the frequency dependence of the FMR spectrum of the LSMO film and heterostructures. It is shown that the Im g↑↓ quantity, can play an important role in determining the spin Hall angle (θSH) from the angular dependence of the spin magnetoresistance. For the SrIrO3/La0.7Sr0.3MnO3 heterostructures, θSH turned out to be significantly higher (almost an order of magnitude) than for the Pt/La0.7Sr0.3MnO3 heterostructure.

The “suevite” conundrum, Part 2: Re‐examining the type locality at the Ries impact structure, Germany

AbstractOne of the most common types of allochthonous impactite produced in hypervelocity impact events is impact breccia that contains melt particles. In numerous terrestrial hypervelocity impact structures such melt‐bearing breccias have been termed “suevite,” after the type locality at the Ries impact structure, Germany. Despite its widespread occurrence, the origin, emplacement, and classification of suevite remains debated. In this contribution, we re‐examine the nature and origin of suevite at the Ries impact structure. The results of new field and laboratory investigations, when combined and synthesized with results from previous studies, lead to a multi‐stage model for the origin and emplacement of allochthonous impactites during the Ries impact event. Following the creation of a transient cavity the so‐called Bunte Breccia and “megablocks” were emplaced via ballistic sedimentation and subsequent radial flow during the excavation stage to form a continuous ejecta blanket. At the end of the excavation stage, a mixture of melt and lithic fragments formed a lining to the transient cavity and it is this material that later became the crater, dike, and outer suevite (OS) units. The crater suevite represents the material from the displaced zone of the transient cavity that was transported and mixed but never left the cavity. The emplacement of dike suevite occurred during the modification stage as the crater suevite was intruded into fractures in the underlying crater floor. The OS and rare impact melt rocks overlying the ballistic (Bunte Breccia) ejecta deposits were emplaced as outwards‐directed ground‐hugging flows largely during the modification stage of crater formation. The OS flows varied both spatially and temporally in terms of the flow characteristics, from being dominated by solid particles and gas (cf. pyroclastic density currents) to a mixture of solid particles, liquid (impact melt), and minor gases (i.e., particulate impact melt‐rich flows). These particulate impact melt‐rich flows dominated by far. Minor “fallback” of material from an ejecta plume is evidenced by accretionary lapilli in the Nördlingen 1973 core. In summary, allochthonous impactites at the Ries impact structure are not unusual but are consistent with observations from other terrestrial and planetary craters, where melt‐rich impactites overly ballistic ejecta deposits both outside and inside crater rims and where melt‐rich impactites occur in crater interiors.

Application of a Scaled‐up Dielectric Barrier Discharge Reactor in the Trace Oxygen Removal in Hydrogen‐Rich Gas Mixtures at Ambient and Elevated Pressure

AbstractDielectric barrier discharges (DBDs) are frequently utilized in various gas conversion processes. For industrial applications a low flow resistance and scalability are crucial. In this study a tenfold scaled‐up reactor based on a surface dielectric barrier discharge (SDBD) was employed for the removal of oxygen traces from H2/N2/O2 gas mixtures. The conversion efficiency of the reactor with ten electrode configurations was investigated for different admixtures of O2, and high degrees of conversion were observed that decreased with increasing flow rate, but remained constant when raising the pressure to 2 bar(g). A new generator based on silicon carbide field‐effect transistors (SiC‐FETs) was used and compared to a generator based on classical metal oxide semiconductor field‐effect transistors (MOS‐FETs).

Multilayer Diamond‐Like Carbon Films on Monocrystalline Diamond

Multilayer films of diamond‐like carbon (DLC) on monocrystalline diamond substrates have been for the first time obtained by plasma‐chemical deposition. Their chemical composition and structural and morphological properties are studied. The DLC individual layers differ in their sp3 carbon content. The multilayer nature of the resulting coatings is confirmed by periodic density modulation on the small‐angle X‐ray reflectometry curve and modulations in the CsC8, CsC6, CsC4 lines on the crater depth profile of secondary ions of elements (secondary ion mass spectrometry). The dependence of the deposition rate of multilayer DLC films on diamond, their composition and properties on the argon additive to the reaction gas mixture, as well as on methane flow, pressure and growth time, are studied.

A Novel Electronic Nose Using Biomimetic Spiking Neural Network for Mixed Gas Recognition

Odors existing in natural environment are typically mixtures of a large variety of chemical compounds in specific proportions. It is a challenging task for an electronic nose to recognize the gas mixtures. Most current research is based on the overall response of sensors and uses relatively simple datasets, which cannot be used for complex mixtures or rapid monitoring scenarios. In this study, a novel electronic nose (E-nose) using a spiking neural network (SNN) model was proposed for the detection and recognition of gas mixtures. The electronic nose integrates six commercial metal oxide sensors for automated gas acquisition. SNN with a simple three-layer structure was introduced to extract transient dynamic information and estimate concentration rapidly. Then, a dataset of mixed gases with different orders of magnitude was established by the E-nose to verify the model’s performance. Additionally, random forests and the decision tree regression model were used for comparison with the SNN-based model. Results show that the model utilizes the dynamic characteristics of the sensors, achieving smaller mean squared error (MSE < 0.01) and mean absolute error (MAE) with less data compared to random forest and decision tree algorithms. In conclusion, the electronic nose system combined with the bionic model shows a high performance in identifying gas mixtures, which has a great potential to be used for indoor air quality monitoring in practical applications.

Optimizing methane plasma pyrolysis for instant hydrogen and high-quality carbon production

The European Green Deal has set a target for Europe to achieve net-zero greenhouse gas emissions by 2050, necessitating a transition to more sustainable energy sources. Hydrogen gas (H2) has emerged as a promising solution, with methane pyrolysis presenting a viable method for its production. This study explores the optimization of methane plasma pyrolysis for hydrogen and high-quality carbon production. Employing a statistical approach by a design of experiment software, critical process parameters are systematically analyzed to predict their impact within a defined range. Additionally, the paper conducts comprehensive characterization of the solid carbon produced during pyrolysis using imaging, spectroscopic and elemental analysis, and gas sorption analysis methods. The experimental investigation was conducted using a thermal plasma reactor with several settings of influential parameters including methane gas (CH4) content in the plasma gas, electric current, and arc length. The DC-transferred plasma arc is formed using a variable gas mixture of argon gas (Ar) and CH4, with a constant flow rate of 5 Nl/min. Thirteen tests were designed, evaluating responses such as power input, process stability, and H2 yield. The H2 yield indicates the hydrogen produced from CH4, with 100% representing total conversion. While the process exhibited inconstancy, attributed to reactor design constraints, a high H2 yield of 67%–100% was achieved. The results indicate that a higher CH4 content in the plasma gas and extended arc lengths disturb the plasma arc, hence reducing the H2 yield. Increased power input, achieved through higher amperage levels, and a wider reaction zone eased by extending the arc length both led to an improved H2 yield. Scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) revealed microstructural differences, with carbon samples from the filter exhibiting finer textures and carbon samples from the reactor larger sizes and dendritic particles. Raman spectroscopy confirmed crystalline graphitic-like structures with low defect concentrations, a finding supported by X-ray diffraction (XRD) analysis. Inductively coupled plasma mass spectroscopy (ICP-MS) analysis confirmed high-purity carbon with slight impurities from initial filter contamination. Brunauer-Emmett-Teller (BET) specific surface area calculations based on gas sorption analysis showed significant variations, with filter-collected samples exhibiting 40–170 m2/g and reactor-collected ones showing 7–30 m2/g.

A novel strategy for iodine removal from nuclear reactor accidental gases: efficient adsorption of CH3I on the moderately hydrophobic modified silver-loaded zeolite under high temperature and humidity conditions

ABSTRACT Ensuring nuclear energy safety through effective gas emission filtration from nuclear reactor containment in accident scenarios is paramount. The efficacy of hydrophobic modified Ag-loaded zeolites for methyl iodide (CH3I) removal under challenging conditions of high temperature, humidity, and irradiation is studied in this work. Through hydrophobic modification of AgX zeolite with three different silane coupling agents, a series of modified zeolites with varied hydrophobicity levels is produced. The adsorption capabilities of these modified materials are assessed using a self-designed gas adsorption setup, focusing on CH3I removal from a gas mixture emblematic of nuclear accident environments. Results indicate that all hydrophobically modified zeolites exhibited superior CH3I removal rates compared to their unmodified counterparts, with the variant modified with 10% phenyltriethoxysilane achieving the highest removal rate of 99%. Additionally, zeolites modified with octyltrimethoxysilane demonstrate commendable irradiation resistance at a radiation dose of 4.2 × 105 Gy. The results suggest that optimally hydrophobically modified AgX zeolites hold significant promise for filtering gases containing radioactive iodine, offering novel insights for the advancement of adsorbent materials in nuclear reactor containment discharge systems.

Multipressure Sampling for Improving the Performance of MOF-based Electronic Noses.

Metal-organic frameworks (MOFs) are a promising class of porous materials for the design of gas sensing arrays, which are often called electronic noses. Due to their chemical and structural tunability, MOFs are a highly diverse class of materials that align well with the similarly diverse class of volatile organic compounds (VOCs) of interest in many gas detection applications. In principle, by choosing the right combination of cross-sensitive MOFs, layered on appropriate signal transducers, one can design an array that yields detailed information about the composition of a complex gas mixture. However, despite the vast number of MOFs from which one can choose, gas sensing arrays that rely too heavily on distinct chemistries can be impractical from the cost and complexity perspective. On the other hand, it is difficult for small arrays to have the desired selectivity and sensitivity for challenging sensing applications, such as detecting weakly adsorbing gases with weak signals, or conversely, strongly adsorbing gases that readily saturate MOF pores. In this work, we employed gas adsorption simulations to explore the use of a variable pressure sensing array as a means of improving both sensitivity and selectivity as well as increasing the information content provided by each array. We studied nine different MOFs (HKUST-1, IRMOF-1, MgMOF-74, MOF-177, MOF-801, NU-100, NU-125, UiO-66, and ZIF-8) and four different gas mixtures, each containing nitrogen, oxygen, carbon dioxide, and exactly one of the hydrogen, methane, hydrogen sulfide, or benzene. We found that by lowering the pressure, we can limit the saturation of MOFs, and by raising the pressure, we can concentrate weakly adsorbing gases, in both cases, improving gas detection with the resulting arrays. In many cases, changing the system pressure yielded a better improvement in performance (as measured by the Kullback-Liebler divergence of gas composition probability distributions) than including additional MOFs. We thus demonstrated and quantified how sensing at multiple pressures can increase information content and cross-sensitivity in MOF-based arrays while limiting the number of unique materials needed in the device.

Deep probabilistic direction prediction in 3D with applications to directional dark matter detectors

We present the first method to probabilistically predict 3D direction in a deep neural network model. The probabilistic predictions are modeled as a heteroscedastic von Mises-Fisher distribution on the sphere S2 , giving a simple way to quantify aleatoric uncertainty. This approach generalizes the cosine distance loss which is a special case of our loss function when the uncertainty is assumed to be uniform across samples. We develop approximations required to make the likelihood function and gradient calculations stable. The method is applied to the task of predicting the 3D directions of electrons, the most complex signal in a class of experimental particle physics detectors designed to demonstrate the particle nature of dark matter and study solar neutrinos. Using simulated Monte Carlo data, the initial direction of recoiling electrons is inferred from their tortuous trajectories, as captured by the 3D detectors. For 40 keV electrons in a 70% He 30% CO2 gas mixture at STP, the new approach achieves a mean cosine distance of 0.104 (26∘) compared to 0.556 (64∘) achieved by a non-machine learning algorithm. We show that the model is well-calibrated and accuracy can be increased further by removing samples with high predicted uncertainty. This advancement in probabilistic 3D directional learning could increase the sensitivity of directional dark matter detectors.

Using Porous Liquids to Perform Liquid-Liquid Separations.

Porous liquidsarenew types of fluid sorbent investigated mainly for the separation of gas mixtures. Here, we explore their application to the separation of miscible liquids, MEG (monoethylene glycol)/water and EtOH/water) as proof of principle. Recovery of used MEG is industrially important but its extraction from water is difficult. PLs ZIF 8@PDMS (PL1, PDMS = polydimethylsilicone) or ZIF-8@sesame oil (PL2) each consisting of 25wt% of the hydrophobic microporous material ZIF-8 dispersed in PDMS/sesame oil, were formulated and found to be exceedingly physically stable. 5 nm PEEK membranes wereused to provide permeable barriers between the PL and the alcohol/water phase. MEG was selectively extracted through the membrane from 50wt% MEG/water mixtures into the PL phase.It was effective for MEG/water mixtures as dilute as 3:97wt%. The PL could be regenerated and re-used, suggesting its potential for continuouscyclic extraction. Furthermore, PL3 (silicalite-1@PDMS) has demonstrated effectiveness in achieving selective alcohol extraction from beverages. It shows great potential for lowering the alcohol concentration in gin/wine due to its excellent chemical stability and nontoxicity. Overall, the enhanced adsorption properties of PLs due the presence of empty pores, which provides unusually high gas solubilities, also makes them, in principle, applicable to liquid-liquid separations.

Preparation of low-concentration H2 test gas mixtures in ambient air for calibration of H2 sensors

Abstract. Using electrochemical gas sensors for quantitative measurements of trace gas components in ambient air introduces several challenges, of which interference, drift and aging of the sensor are the most significant. Frequent and precise calibration as well as thorough characterization of the sensor helps to achieve reliable and repeatable results. We therefore propose the use of a simple, lightweight and inexpensive setup to produce hydrogen calibration gases with precisely known concentrations in ambient air. The hydrogen is produced by electrolysis with electric current monitoring, and the output can be set to any value between ∼ 3 and ∼ 11 µgH2min-1. With a dilution flow of 500 mL min−1, for example, this results in a concentration range from ∼ 70 up to ∼ 240 ppm, but concentrations significantly below or above this range can also be covered with accordingly modified dilution flows. This setup can be used not only for calibration, but also for thorough and long-term characterization of electrochemical gas sensors to evaluate sensitivity, zero voltage and response time over extended periods of time.

Using Porous Liquids to Perform Liquid‐Liquid Separations

Porous liquids are new types of fluid sorbent investigated mainly for the separation of gas mixtures. Here, we explore their application to the separation of miscible liquids, MEG (monoethylene glycol)/water and EtOH/water) as proof of principle. Recovery of used MEG is industrially important but its extraction from water is difficult. PLs ZIF 8@PDMS (PL1, PDMS = polydimethylsilicone) or ZIF‐8@sesame oil (PL2) each consisting of 25wt% of the hydrophobic microporous material ZIF‐8 dispersed in PDMS/sesame oil, were formulated and found to be exceedingly physically stable. 5 nm PEEK membranes were used to provide permeable barriers between the PL and the alcohol/water phase. MEG was selectively extracted through the membrane from 50wt% MEG/water mixtures into the PL phase. It was effective for MEG/water mixtures as dilute as 3:97wt%. The PL could be regenerated and re‐used, suggesting its potential for continuous cyclic extraction. Furthermore, PL3 (silicalite‐1@PDMS) has demonstrated effectiveness in achieving selective alcohol extraction from beverages. It shows great potential for lowering the alcohol concentration in gin/wine due to its excellent chemical stability and nontoxicity. Overall, the enhanced adsorption properties of PLs due the presence of empty pores, which provides unusually high gas solubilities, also makes them, in principle, applicable to liquid‐liquid separations.

Multiscale Simulation of CVD Diamond Growth on (1 0 0)‐, (1 1 1)‐, and (1 1 0)‐Oriented Faces

The growth of chemical vapor deposition diamond in microwave plasma ignited in H2/CH4 gas mixture is investigated using a multiscale approach. The plasma composition and temperatures are determined as a function of the growth conditions using an axial one‐dimensional simulator. The growth process is then studied at the atomic scale using a kinetic Monte‐Carlo simulator developed for (1 0 0), (1 1 1), and (1 1 0) orientations. The calculated growth rates are then injected in a geometric model that predicts the final morphology of the crystal. The simulation of the growth on an etch pit shows that the time necessary to entirely fill the pit is around half an hour. The study of the growth on the three orientations reveals that the surface temperature and methane concentration influence the number, shape, and size of the islands when they appear. On the (1 0 0) surface, the formation of islands may be related to Stranski–Krastanov growth mode, whereas the (1 1 1) surface conducts to Frank–van der Merwe growth mode, and the (1 1 0) surface is governed by Volmer–Weber growth mode.