Liquid-gas Phase Research Articles

Low‐Intensity Focused Ultrasound‐Responsive Nanobubbles Enhance Thrombus Targeting and Penetration for Highly Effective Thrombolytic Therapy

Owing to the short half‐life, restricted targeting capability, and high bleeding risk associated with thrombolytic drugs, safe and effective thrombolytic therapy remains challenging. Based on the natural targeting and immune escape functions of platelets during thrombosis, spatiotemporally controlled nanobubbles (PAF@M) are developed to specifically target thrombus sites. These nanobubbles are designed by loading an air core of perfluoropentane (PFP) and l‐arginine within a poly(lactic‐co‐glycolic acid) shell and coating it with a platelet membrane. Under stimulation with low‐intensity focused ultrasound (LIFU), physical shear stress promotes deep penetration of the nanobubbles into the thrombus. Moreover, the liquid–gas phase transition of PFP and the release of nitric oxide synergistically enhance ultrasonic cavitation to disrupt the thrombus structure. In terms of mechanism, these gas molecules induce acoustic pore action to disrupt the fibrin network structure, loosening the interior of the thrombus, and act specifically on the surfaces of red blood cells and activated platelets, launching a comprehensive attack on the thrombus. It is believed that PAF@M nanobubbles will delay the progression of thrombosis and achieve safe and highly effective thrombolytic therapy. This simple LIFU response principle has the potential to be a safer and more effective alternative to current pharmaceutical approaches.

Regulation mechanism of optimal bubble diameter for ozone wastewater treatment

Efforts have been made to enhance ozone utilization efficiency and reduce energy costs in ozone-aerated wastewater treatment. Microbubbles, characterized by their large interfacial area and efficient gas-liquid mass transfer, are extensively used to boost ozone utilization. However, generating microbubbles demands significant energy, and their actual efficiency requires careful evaluation due to the absence of universal strategies for designing microbubbles with optimal performance. This study established an integrated mathematical model for ozone oxidation in wastewater treatment, based on comprehensive ozone reaction kinetics, microbubble mass transfer control theory, and mass conservation equations for gas-liquid phase components. Simulation results showed a pollutant removal rate with a prediction error of less than 20%, confirming the model's reliability. Further analysis revealed that although the initial mass transfer rate of 0.5 mm bubbles is lower than that of 0.1 mm bubbles, the total mass transfer quantity is reduced by only 8.7%. This suggests that an optimal bubble diameter can balance mass transfer efficiency and energy consumption. Based on this finding, we integrated ozone production and bubble generation energy consumption to develop a regulation mechanism for optimizing bubble diameter, minimizing total energy consumption while meeting target removal rates. Results indicate that the optimal bubble diameter is closely related to water depth: as depth increases, the optimal bubble diameter also increases. At a depth of 2.1 meters, the optimized bubble diameter reduces energy consumption by 33.5% and 16.2% compared to millimeter-sized and 100-micron bubbles, respectively. Sensitivity analysis shows that total energy consumption is more sensitive to changes in specific ozone energy consumption, while variations in bubble generation energy remain relatively stable. These results underscore the feasibility of using the proposed model to guide energy-efficient bubble size selection.

Computational Fluid Dynamics Analysis and Optimization of a Doublesuction Turbine Agitator

Background: As one of the essential pieces of chemical equipment, a reactor provides the necessary reaction space and conditions for the materials involved in the reaction during the stirring process. However, under typical operating conditions, issues such as uneven gas distribution, suboptimal gas-liquid mixing, and low product yield often arise in gas-liquid phase reactors. Purpose: To address the issues prevalent in current stirred reactors, a new design for a stirred reactor equipped with a double-suction turbine agitator was developed. Method: In this paper, a stirred reactor equipped with a double-suction turbine agitator was designed, and its three-dimensional modeling was conducted using SolidWorks. Computational Fluid Dynamics (CFD) simulations, based on the Euler-Euler two-phase approach with the RNG k −ε turbulence model, were performed to assess variables such as stirring speed, installation height, blade diameter and agitator inner diameter. The dispersion characteristics and flow field behaviors of the gas-liquid two-phase under varying conditions were comparatively analyzed. Optimizations were conducted across various parameters to enhance the gas mixing efficiency in the liquid phase. Result: The results show that a diameter of 370mm for the double-suction turbine agitator, an installation height of 640mm, a blade diameter of 500mm, and an inner hole diameter of 200mm yield optimal gas-liquid two-phase mixing performance. This configuration results in a broad and uniform gas distribution within the reactor, maintaining a desired high level of gas holdup at specific positions. Conclusion: The double suction turbine agitator is a type of radial agitator. During operation, it induces significant centrifugal forces in the liquid, exerts a robust shear effect, and enhances the mixing of the gas-liquid phases, thereby increasing the production efficiency of the product.

Experimental and numerical study on critical oxygen concentration for shale gas detonation induced by oxygen-enriched combustion

To improve the shortcomings of Shchelkin spiral in enhancing overpressure utilizing oxygen-enriched combustion-induced detonation (OEC-DET) has seldom been touched upon. Systematic experiments and simulations have been conducted to reveal the kinetic mechanism and critical conditions of OEC-DET. Longmaxi (LMX) and Cambrian (HWX) shale gases with 4 % and 20 % nitrogen content were selected as fuels. Explosion overpressure histories of 0.8, 1.0 and 1.2 equivalence ratio fuels at different oxygen concentrations were tested in a 90 L multiphase fuel detonation tube. Temperature sensitivity coefficients of combustion reactions were then supplemented by kinetic simulations. OEC-DET was demonstrated to be a manifestation of pressure wave development promoted by liquid–gas phase transition of H2O produced by OEC. One underlying mechanism is that the increase in oxygen concentration enhances the temperature sensitivity and H2O production rate, thus favoring the occurrence of OEC-DET. The critical oxygen concentration (COC) of OEC-DET in shale gas has been determined to be around 25 %–30 % herein. The lower the nitrogen content and equivalence ratio, the lower the COC. Both the explosion overpressure and pressure rise rate exhibit segmented linear and exponential growth with the increase of COC, and particularly the growth trend becomes accelerated after OEC-DET. Two COC prediction equations have thus been derived with an accuracy exceeding 90 % and these shed light on the thermal engineering such as in-situ methane deflagration fracturing.

Chaotic Analysis of the Reversible Pump Turbine Exhaust Process in Pump Mode Based on a Data-driven Method

Due to the important strategic position of Pumped Storage Power Plants (PSPP) in global energy upgrading, conducting in-depth research on the various operating conditions of pump turbine units is important for their safe and stable operation. This study sought to clarify the gas–liquid phase motion and the nonlinear chaotic characteristics of the process of exhaust and pressurization in pump mode; with the simplified objective model proposed here, a visualization of the process is achieved using data-driven methods, and the nonlinear characteristics of gas–liquid phase motion during the process are theoretically demonstrated. A method that combines data-driven and chaotic analysis is proposed to qualitatively and quantitatively analyze the force and torque time-series signals of the runner under different exhaust rates. The results indicate that the chaotic characteristics of the force signals and torque signals of the runner are not in a single linear relationship with the exhaust rates. Therefore, this research also provides guidance on exhaust rates with the aim of informing actual engineering practice, the purpose of which is to reduce the vibration amplitude caused by repetitive torque and improve the stability of the unit operations.

Mathematical model of permeability evolution of liquid CO2 pressurized coal

To examine the permeability alterations in coal seams induced by liquid CO2 injection, we employed COMSOL simulations to recreate the flow, force, and temperature fields, along with the corresponding physical parameters of the geological formation. We established a mathematical model to track the evolution of the coal body’s permeability, enabling us to capture the phase distribution of CO2, the dynamics of fluid transportation, and the coal body’s mechanical responses during the liquid CO2 injection process. Our findings revealed that the coal seam undergoes significant changes due to low-temperature freezing and shrinkage, gas-liquid phase transitions, and expansion impacts from solid-liquid phase changes. These factors collectively modify the pore structure, subsequently influencing the coal seam’s permeability. Notably, the coal body’s permeability, influenced by the pore structure and the Klinkenberg effect, increases logarithmically with rising injection pressure and falling temperatures. The structural changes in the coal body are markedly impacted by seepage and phase change pressures, with the permeability enhancement from secondary phase changes being 2.28 times greater than that from primary phase changes, and five times greater than in scenarios without phase change.

Study on the Continuous Whole Process Preparation of Peptizable Pseudoboehmite by High Gravity Strengthening Reaction of CO2 and Heat Transfer.

The preparation of highly peptizable pseudoboehmite faces challenges such as slow reaction rate, prolonged aging times leading to poor peptization performance, and difficulty in achieving continuous production. In this study, a novel approach was proposed involving a high gravity reactor to enhance carbonation reaction control for pseudoboehmite nucleation, a high gravity steam heating process, and a continuous aging process in pipelines. By coupling these three processes, the continuous whole process production of highly peptizable pseudoboehmite under high gravity conditions was achieved. First, the effect of high gravity reactor enhancement on the reaction and the resulting solid phase was investigated. Second, the impact of aging temperature and time on the solid phase formed at different reaction end points was studied using high gravity and steam heating of the liquid phase. Furthermore, the influence of synthesis conditions on the peptization performance of pseudoboehmite was extensively examined. Finally, the nucleation and growth mechanisms of pseudoboehmite under high gravity conditions were analyzed. It was found that increasing high gravity factor, CO2 gas flow rate, and CO2 content accelerated carbonation reaction rate, promoting pseudoboehmite crystal nucleation. Increasing aging temperature and time facilitated the growth of pseudoboehmite nuclei and improved peptization performance. The high gravity device altered the gas-liquid phase contact state of traditional kettle-type equipment, reducing the reaction time and heating time from minutes to seconds, thus achieving the continuous whole process production of pseudoboehmite with a peptization index of 100% from sodium aluminate solution by kiln flue gas.

Characterizing the development of gravity-driven slug flows using high-speed imaging and PIV-PLIF techniques

Although developing gravity-driven slug flow frequently occurs in oil and gas, and energy systems, its development dynamics remain underexplored; this gap, in turn, has left the underlying relationships between flow evolution and transport phenomena in these applications inadequately characterized as well. The present study experimentally investigates the spatiotemporal-spectral development of gravity-driven air–water and CO2-water slug flows in a vertical 25.4 mm ID pipe. Enhanced flow visualization techniques, utilizing high-speed imaging and particle image velocimetry-planar laser induced fluorescence (PIV-PLIF), were employed to determine the behaviors of gas and liquid phases and interactions at four positions along the pipe axis. A machine vision-based algorithm was employed to extract slug unit cell characteristics and instantaneous void fraction signals, allowing for a comprehensive statistical analysis of gas phase behavior across the flow domain. A novel algorithm was also developed to preprocess raw PIV-PLIF images, facilitating phase discrimination and noise reduction before PIV cross-correlation analyses are conducted. The results showed a logarithmic growth in the lengths of Taylor bubbles, liquid slugs, and slug unit cells along the pipe, with liquid slugs constituting nearly 60 % of slug units downstream. Taylor bubble length distributions correlated well with log-normal fits, while liquid slug and unit cell lengths transitioned from log-normal patterns upstream to near-normal distributions downstream with broader and less peaked shapes. Taylor bubble velocities and appearance frequencies of the flow structures declined exponentially along the pipe, with Taylor bubble velocities showing narrower and more peaked near-normal distributions downstream. Instantaneous void fraction signals exhibited fewer, wider peaks and troughs with reduced small-amplitude oscillations downstream. The analysis of the signals indicated a complete bubbly-to-slug transition at Z/D=30. Gas-liquid phase interactions, classified as almost-zero, weak, and strong, impacted liquid phase velocity profiles and the behavior of Taylor bubbles, with minimum stable liquid slug lengths of 8–9 D and a wake length of 1.8 D observed. Empirical correlations were developed to represent the spatiotemporal-spectral aspects of flow development, with spectral parameters, particularly liquid slug frequency, identified as the most reliable indicators of the fully developed region, predicting entrance lengths of 114.0 D and 113.4 D for air–water and CO2-water, respectively. Gas density was found to strongly influence flow characteristics and transition, accelerating the approach to the fully developed region.

Exploring Topochemical Oxidation Reactions for Reversible Tuning of Thermal Conductivity in Perovskite Fe Oxides.

We present a study on the reversibility of thermal conductivity in iron oxides through topochemical oxygen exchange between brownmillerite (BM) (Ca,Sr)FeO2.5 and perovskite (PV) (Ca,Sr)FeO3.0. By using different oxidation methods, including gas phase (O2/O3), liquid phase (NaOCl in H2O), and solid electrolyte (Y2O3:ZrO2), we demonstrate that the oxidation pathway has a critical influence on the reversibility of the ionic-exchange process. Cyclic oxidation and reduction using O2/O3 or NaOCl lead to an important accumulation of structural defects, undermining the reversibility of thermal conductivity. In the case of wet oxidation, we demonstrate an inherent tendency of negative charge-transfer oxides toward amorphization and elucidate the origin of this effect. Conversely, the electrochemical injection of the O2- ions via a Y2O3:ZrO2 solid electrolyte reduces structural damage significantly, enhancing both reversibility and durability. This study underscores the importance of selecting appropriate topochemical oxygen exchange methods to maintain structural integrity and optimize functional performance in oxide-based tunable devices.

Study in Gas-Phase Agglomeration Characteristics of Spiral Flow Gas-Liquid Multiphase Pump

Abstract The spiral flow gas-liquid mixed transport pump experiences gas phase accumulation in the impeller flow passage, leading to blockage and a decrease in pumping performance. To understand the rules and mechanisms of gas phase aggregation in the spiral flow gas-liquid mixed transport pump, numerical calculations based on the Eulerian multiphase flow model and SST k – ω turbulent flow model were conducted. The effects of different gas volume fractions, speeds, and liquid phase viscosities on the pump were explored, and the external characteristics, flow characteristics, and gas phase aggregation processes in the impeller were analysed for these three variables. The results indicate that the head and efficiency of the pump gradually decrease with increasing gas volume fraction and liquid phase viscosity, while they increase with increasing speed. When the liquid phase viscosity changes from pure water to 50 times its viscosity, the gas phase aggregation at the impeller outlet decreases, resulting in reduced pressure and a smaller vortex region. The relative gas phase aggregation degree λ decreases from 0.5 to almost 0. When the gas volume fraction increases from 20% to 60%, the gas phase aggregation at the impeller outlet increases, the pressure difference between the impeller hub and the rim increases, and the vortex region expands, leading to an increase in λ by 8 times. When the speed increases from 3000 rpm to 5000 rpm, the gas phase aggregation at the impeller outlet increases, the pressure increases, and the vortex region expands, resulting in a 16-fold increase in λ.

The interaction of Lactiplantibacillus plantarum and Latilatilactobacillus sakei regulated the formation of characteristic quality attributes of low-salt fermented tilapia

The regulation of quality characteristics of fermented aquatic food based on microbial metabolic interaction is a hot spot in the innovative processing of aquatic products around the world. In this study, electronic sensory system, gas phase method and liquid phase method based on mass spectrometry were used to study the effects of the interaction between Lactiplantibacillus plantarum and Latilactobacillus sakei on the quality and flavor of dry-cured tilapia. The targeted supplementation of Latilactobacillus sakei S199 can improve the texture and flavor characteristics of tilapia meat fermented by Lactiplantibacillus plantarum 550. Latilactobacillus sakei S199 can cross metabolize with Lactiplantibacillus plantarum 550 to produce more 1-Octen-3-ol, 3-methyl-1-Butanol, 1-Hexanol, 2-ethyl-1-Hexanol, (E)-2-Octen-1-ol, 2-Heptanone, 3-Octanone, 2-Pentyl-Furan, and 2,5-diethyltetrahydro-Furan, and reduce the content of Heptanal, Nonanal, and Benzaldehyde to enhance the aroma of fermented tilapia fish. The aroma intensity increased by three times, from 129.46 μg/kg to 373.02 μg/kg, white the bitterness of tilapia meat fermented by the two bacteria was reduced by half, from 231.26 μg/g to 153.65 μg/g. The interaction of Lactiplantibacillus plantarum 550 and Latilactobacillus sakei S199 promoted proteolysis and utilized the FAAs and other small molecular compounds to generate other flavor compounds. The results were helpful to understand the effect of the interaction between Lactiplantibacillus plantarum 550 and Latilactobacillus sakei S199 on the flavor formation of dry cured tilapia.

Thermodynamics of a rotating hadron resonance gas with van der Waals interaction

Studying the thermodynamics of the systems produced in ultra-relativistic heavy-ion collisions is crucial in understanding the QCD phase diagram. Recently, a new avenue has opened regarding the implications of large initial angular momentum and subsequent vorticity in the medium evolution in high-energy collisions. This adds a new type of chemical potential into the partonic and hadronic systems, called the rotational chemical potential. We study the thermodynamics of an interacting hadronic matter under rotation, formed in an ultra-relativistic collision. We introduce attractive and repulsive interactions through the van der Waals equation of state. Thermodynamic properties like the pressure (P), energy density (ε\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\varepsilon $$\\end{document}), entropy density (s), trace anomaly ((ε-3P)/T4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$(\\varepsilon - 3P)/T^{4}$$\\end{document}), specific heat (cv\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$c_\ extrm{v}$$\\end{document}) and squared speed of sound (cs2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$c_\ extrm{s}^{2}$$\\end{document}) are studied as functions of temperature (T) for zero and finite rotation chemical potential. The conserved charge fluctuations, which can be quantified by their respective susceptibilities, are also studied. The rotational (spin) density corresponding to the rotational chemical potential is explored. In addition, we explore the possible liquid–gas phase transition in the hadron gas with van der Waals interaction in the T – ω\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\omega $$\\end{document} phase space.

Investigation on the multi-scale interactions in gas–liquid jet bubbling reactor

Due to the unreliability of the mechanical seal of the mechanical stirring reactor in traditional carbonyl synthesis reactions, a gas–liquid jet bubbling reactor has been developed that is a new type of hydraulic stirring. A cold model device was constructed to address the complex flow field characteristics of a gas–liquid jet bubbling reactor, and a gas–liquid phase testing method was established to obtain the gas–liquid phase flow parameters in the cold model device. A mathematical model of a cold model device was established based on computational fluid dynamics. The reliability and accuracy of the calculation model were verified by combining experimental data of the cold model device, and the gas–liquid two-phase flow characteristics of an industrial grade reactor were obtained. The multiscale characteristics of gas–liquid two-phase signals in industrial reactors and the multiscale gas–liquid two-phase interactions were analyzed by combining wavelet analysis, power spectrum analysis, and fractal analysis. Based on the multiscale gas–liquid interaction mechanism model of gas–liquid interaction, the liquid phase interaction in d1-d6 inside the reactor was increased. The gas–liquid mass transfer process was enhanced, and the liquid level fluctuation and temperature difference of industrial grade reactors were significantly reduced.

Membrane electrolysis distillation for volatile fatty acids extraction from pH-neutral fermented wastewater

Volatile fatty acids (VFAs) serve as building blocks for a wide range of chemicals, but it is difficult to extract VFAs from pH-neutral wastewater using evaporation methods because of the ionized form. This study presents a new membrane electrolysis distillation (MED) process that extracts VFAs from such fermentation solutions. MED uniquely integrates pH regulation and joule heating to facilitate the efficient evaporation of VFAs. This integration occurs alongside a hydrophobic membrane that ensures effective gas-liquid phase separation. Operating solely on electricity, MED achieved an acid flux rate of 12.03 g/m2/h at 6V. In contrast, the control results without the joule heating or pH swing only obtained a 0.23 g/m2/h and 0.32 g/m2/h flux, respectively. In addition, a physicochemical model was developed to assess the impacts of temperature on membrane surface pH. This system enhances resource recovery from waste streams and helps achieve a circular carbon economy.

Optical study on the spray and combustion characteristics of diesel-biodiesel-alcohol blend fuels on a constant volume combustion chamber

The rapid increase in automobile ownership has brought about an increase in pollutant emissions, the blending of alcohols can effectively reduce conventional pollutant emissions from diesel engines. However, alcohols have poor inter-solubility with diesel fuel. This study investigates the effects of blending different alcohols on the spray and combustion characteristics of diesel, with biodiesel as the cosolvent. The results show that among the three alcohols, blending methanol has the best improvement in the gas-liquid phase spray characteristics, followed by ethanol and propanol. The GL-SCA and GL-SPA of the methanol blends are 8.2 % and 2.3 % larger than those of the ethanol blends, and 19 % and 11.9 % larger than those of the propanol blends, respectively. Among the four fuels, fuel blended with methanol emits the least normalized sum KL, 45 % less than that of diesel, 23.8 % less than that of ethanol blended fuel, and 35.3 % less than that of propanol blended fuel.

Analysis of Bubble Flow in an Inclined Tube and Modeling of Flow Prediction

The lubricating oil system is a significant component of aviation engine lubrication and cooling, and the scavenge pipe is an essential component of the lubricating oil system. Accurately identifying and understanding the flow state of the scavenge pipe is very important. This article establishes a visualization test bench for a 45-degree inclined scavenge pipe, with upward and downward flow directions, respectively. The test temperature is 370 K, and a high-speed camera captures the changes in the two-phase flow inside the pipeline. Based on high-speed photography photos, we develop software for analyzing the flow characteristics of bubbles inside the tube and explore the influence of gas phase conversion velocity and liquid phase conversion velocity on the apparent velocity of bubbles inside the tube. Multiple algorithms were used to develop the model by combining machine learning with speed and accuracy to establish a data regression prediction model for the apparent velocity of bubbles inside the tube. Through calculation and analysis, it was found that the root mean square error of the prediction model using the BP neural network algorithm was the lowest, and the decision coefficient of the prediction model using the support vector machine algorithm was the highest.

Dynamic characteristics of high-pressure and high-density carbon dioxide leakage process

The leakage of high-pressure and high-density carbon dioxide (CO2) during storage and transportation can result in the rapid release of a substantial amount of CO2, presenting significant risks to Carbon Capture and Storage (CCS) technology. Investigating the dynamic characteristics of high-pressure and high-density CO2 leakage in storage tank, as well as understanding the variations in CO2 pressure, temperature, density, and phase during the leakage process, is crucial for the design of tank and pipeline leakage prevention. Existing research mainly focuses on leakage at the top or side of storage tank, there is a lack of attention to leakage from the bottom of storage tank. To simulate the bottom leakage processes, a depressurized experimental system with a 0.065 m3 CO2 storage tank volume was constructed. The range of CO2 parameter conditions for filling density is 811 ∼ 998 kg/m3, with initial pressure ranging from 5.72 ∼ 16.50 MPa. According to the change in the slope of the pressure drop in the storage tank, the leakage can be divided into three processes. The closer to the top of the storage tank, the liquid–gas phase transition of CO2 occurs earlier. The pressure shows two inflection points (point I and point II) representing the upper and lower limits of CO2 saturation pressure, respectively. The lower filling density results in a higher saturation pressure, while the higher initial pressure also leads to a higher saturation pressure. The current work can help to better understand pressure, temperature, density, and phase state changes of CO2 during leakage.

An initial value insensitive constrained linear predictive evolution algorithm for gas–liquid phase equilibrium calculation problems

Heuristic algorithms are gradually becoming a type of new promising methods for solving phase equilibrium calculation problems since they do not have to calculate an initial value in advance like traditional methods such as direct Newton's method and indirect thermodynamic method. A new heuristic optimizer, constrained linear prediction evolution algorithm (CLPE) for phase equilibrium calculation under given volume, temperature, and moles (NVT-flash) is proposed in this paper. CLPE employs the total Helmholtz free energy of the NVT-flash problem as its objective function and employs the volume and moles vector of a certain phase as decision variables. Numerical experiments are conducted on four NVT-flash problems. The consistency between the experimental results and those obtained by some traditional methods verifies that the proposed CLPE is effective. The comparative advantage in computational overhead over the similar algorithms indicates the significance of this study. The success of CLPE can drive more heuristic algorithms to solve NVT-flash problems more efficiently, so as to advance the field of phase equilibrium calculation.

Demethylation C–C coupling reaction facilitated by the repulsive Coulomb force between two cations

Carbon chain elongation (CCE) is normally carried out using either chemical catalysts or bioenzymes. Herein we demonstrate a catalyst-free approach to promote demethylation C–C coupling reactions for advanced CCE constructed with functional groups under ambient conditions. Accelerated by the electric field, two organic cations containing a methyl group (e.g., ketones, acids, and aldehydes) approach each other with such proximity that the energy of the repulsive Coulomb interaction between these two cations exceeds the bond energy of the methyl group. This results in the elimination of a methyl cation and the coupling of the residual carbonyl carbon groups. As confirmed by high-resolution mass spectrometry and isotope-labeling experiments, the C–C coupling reactions (yields up to 76.5%) were commonly observed in the gas phase or liquid phase, for which the mechanism was further studied using molecular dynamics simulations and stationary-point calculations, revealing deep insights and perspectives of chemistry.

The Mechanism of Air Blocking in the Impeller of Multiphase Pump

The exploitation and transportation of deep-sea and remote oil and gas fields have risen to become important components of national energy strategies. The gas–liquid separation and gas blocking caused by the large density difference between the gas and liquid phases are the primary influencing factors for the safe and reliable operation of gas–liquid mixed transportation pump systems. This paper takes the independently designed single-stage helical axial-flow mixed transportation pump compression unit as the research object. Through numerical simulation, the internal flow of the mixed transportation pump is numerically calculated to study the aggregation and conglomeration of small gas clusters in the flow passage hub caused by gas–liquid phase separation, influenced by the shear flow of phase separation, forming axial vortices at the outlet where gas clusters gather in the flow passage. The work performed by the impeller on the gas clusters is insufficient to overcome the adverse pressure gradient formed at the outlet of the flow passage due to the gathering of the liquid phase in adjacent flow passages, resulting in the phenomenon of gas blocking, with vortex gas clusters lingering near the hub wall of the flow passage.