In order to realize the resource utilization of mine water, amino functionalized ionic liquid diethylenetriamine imidazole ([DETA][Im]) and modified ZIF-8 were synthesized to prepare porous liquid [DETA][Im]–(mPEG)ZIF-8, which was used to form a solution with mine water to enhance the CO2 absorption capacity of mine water. The metal–organic framework (MOF) materials and porous liquids were characterized

Hydrogen peroxide (H2O2) is a widely used oxidant while energy consumption and environmental concerns are challengeable issues faced during its traditional production. The production of H2O2 by electrocatalysis or photocatalysis is considered as economical and environmentally friendly approach while metal-free electrocatalysts and photocatalysts were intensively investigated in recent years. In this

Hydrogen transportation through a new pipeline poses significant economic barriers and blending hydrogen into existing natural gas pipelines offers promising alternative. However, hydrogen’s low energy density and potential material compatibility challenges necessitate modifications to existing infrastructure. This study conducts a comprehensive thermo-economic analysis of natural gas and hydrogen

The development of ultra-deep tight reservoirs is paramount to the global energy supply. However, their unique conditions hindering efficient development. This study focuses on ultra-deep tight reservoirs in Shunbei Oilfield, leveraging molecular dynamics simulation to establish a crude oil adhesion model. We delve into the adhesion dynamics, relative concentration, interaction energy, and morphology

The characteristics of sliding bubbles inside turbulent boundary layers on the walls inclined with a range of 5°–80° were experimentally investigated to clarify how the motion of bubbles varies with inclination. Optical visualization provided information on the diameters and velocities of individual bubbles, and the ultrasonic pulsed Doppler method was used to obtain their bottom position and velocity

To mitigate the environmental pressures associated with waste management, it is crucial to adopt scientific and rational approaches to solid waste treatment. This study introduces a novel gravity-driven membrane (GDM) that utilizes industrial solid waste as its structural framework, significantly enhancing algae removal efficiency. The industrial solid wastes examined include bayer red mud (BRM), sintered

Autothermal pyrolysis of biomass, conducted in fluidized bed reactors, addresses the heat transfer challenges of conventional fast pyrolysis by injecting a small amount of oxygen to allow for partial oxidation of pyrolysis products. This article presents two computational models for predicting yields in autothermal pyrolysis using a comprehensive chemical kinetic mechanism for devolatilization, char

Accurate, long-term simulations of turbulent flows pose a large challenge for standard CFD algorithms. Recurrence CFD (rCFD) provides a simple, data-assisted approximation for recurrent dynamics. We present the theoretical foundations of this approach in terms of propagator theory for passive transport processes and derive expressions for convective and diffusive contributions to large-step species

Flooding in a distillation column is an abnormal event that limits the operations of the column and eventually leads to plant shutdown if not prevented. Recently, machine learning (ML) has been widely employed in process engineering to uncover critical patterns in data. Supervised ML methods can predict flooding by monitoring pressure changes in the column. However, one of the challenges of applying

This study presents a detailed computational analysis of the thermal behavior and flow characteristics within an industrial ammonia oxidation reactor. Using Computational Fluid Dynamics (CFD) and the finite volume method, a three-dimensional model of the reactor was developed to investigate the impact of various operational parameters, including reactor head geometry, feedstock composition, temperature

Aluminosilicates derived from the interaction between alkali metals in biomass and silicate-aluminum minerals affect the gasification reactivity of petroleum coke (PC) during their co-gasification. To study the formation of active aluminosilicates and their catalytic mechanism on PC gasification, different potassium aluminosilicates were precisely synthesized using KOH, Al2O3, and SiO2 under simulated

Packed beds are among the most used reactors in many sectors of chemical industries. In this work, the aim was to develop a general dynamic heterogeneous multiscale model for continuous packed bed reactors, by using experimental data to improve the accuracy of mass transfer modelling. Arabinose oxidation to arabinoic acid with molecular oxygen was used as a case study.Experiments were performed in

This study investigates the feasibility of a mixed-dimension membrane model for desalination by constructing cation-supported boron nitride (BN) membranes using K+/Ca2+ as supported ions with non-equilibrium molecular dynamics simulations. The effects of ion type and concentration on desalination performance are systematically investigated, and the transport mechanisms of Na+/Cl- ions in mixed-dimension

The density of molten salt is crucial for the performance of phase change energy storage systems. Accurately predict the density based on temperature and composition is challenging. A new density model based on modified quasi-chemical approaches was developed. By introducing a temperature-dependent molar volume expression for the pure component, and incorporating the contribution of each pair formation

To simulate and optimize the gasoline hydrotreating process at the molecular level, a molecular level reaction kinetics model with a reaction network of 4,037 reactions was constructed based on the extended Structure Oriented Lumping (SOL) method with 40 structural increments. The reaction networks of aromatic molecules and olefin molecules contained 606 and 1,182 reactions, respectively. The model

Traditional theory holds that salt solutes do not evaporate during distillation, but modern testing shows that there are still metal impurities at levels ranging from ppt to ppm in electronic grade chemicals. Therefore, this study speculates that trace metal ions enter the vapor phase during the phase transition. Mixed solutions were prepared by combining LiCl, NaCl, and KCl in pairs to investigate

The management of waste epoxy resin-based composites has become a worldwide challenge due to the stable crosslinked structure of cured epoxy resin, and pyrolysis is an efficient method to break down this polymer, but the lack of free radicals suppresses its complete decomposition. This study investigated the degradation performance of cured epoxy resin polymer under steam-assisted pyrolysis. The results

A water-drop flow channel is proposed and focuses on improving oxygen transfer characteristics and reducing flow channel pressure drop in PEMFC. In this study, a three-dimensional multi-physics model is established to study effects of the water-drop flow channel. Four types of water-drop flow channel are designed by changing the water-drop unit spacing. Results show that applying the newly-designed

A novel heterogeneous photocatalyst, MnCuFe- Layered Double Hydroxide (LDH), was successfully accomplished by co-precipitation method. Structural and morphological properties were ascertained and an amorphous structure, enhancing active site exposure and significantly boosting its intrinsic catalytic activity was observed. MnCuFe-LDH effectiveness was assessed in the degradation of Rhodamine B (RhB)

Particle clustering is prominent in risers, reducing gas-solid contact. This work numerically examines mass transfer between gas and clusters in fully developed region of a riser. To this end, particle clustering with a first-order catalytic bio-oil upgradation reaction in a triply periodic domain is simulated using four-way coupled CFD-DEM, an Eulerian-Lagrangian approach. Two mass transfer mechanisms

In this study, we experimentally and theoretically examine the hydrogen bubble generation around a single horizontal wire electrode during alkaline water electrolysis. Wires form the elementary bricks of more complex mesh electrodes used in industrial systems. When detaching, the bubbles form a quasi 2D bubble curtain from which we measure the bubble size distributions at different current densities

Cycloalkanes are the main portion of petroleum hydrocarbons, yet their inert reactivity has put considerable technical challenges to efficient utilization. In this study, the liquid phase pre-oxidation process for efficient self-initiation cracking of cycloalkanes is proposed. In this process, a portion of decalin was converted into hydroperoxy-decalins. These hydroperoxy-decalins not only decompose

The bubble breakup and distribution uniformity were visually investigated in the shear-thinning fluid in a honeycomb microchannel. Three breakup regimes were observed: non-breakup, partial breakup, and complete breakup. The bubble breakup at the bifurcation was affected by the flow feedback. Thus, we put forward a mechanism of durable breakup/non-breakup alternation. Meanwhile, the distribution and

After the Fukushima accident, the potential of seawater containing diverse dissolved salts and organisms as an alternative coolant source for offshore nuclear power plants (NPPs) has garnered significant attention. This study provides a detailed comparison of the heat transfer performance and flow behavior of seawater and pure water. Initially, the thermophysical properties of seawater are outlined

Gas sweetening process of real natural gas by mixtures of alkanolamines solvents involves optimization of various parameters to achieve highest performance. Therefore, this study aims to investigate simultaneous removal of CO2 and H2S from a real natural gas using amine mixtures of MDEA and DEA in a T-shaped microtube and their foaming behavior during the absorption process. At first, the effect of

We investigate solutal Marangoni flow around a single growing bubble at a macro electrode in a small-scale model of alkaline water electrolysis at 30 wt% KOH. The hydrogen and the oxygen side are simulated separately, using an immersed boundary method. The Marangoni flow is caused by surface tension variations due to the gradient in the KOH concentration. At a current density of 1600 A/m2 , the Marangoni

Both superhydrophobic bulk modification and coating have inherent limitations in providing waterproofing and anti-corrosion properties for concrete. This study developed a slurry with exceptional penetration at room temperature, seamlessly integrating superhydrophobic properties with concrete’s inherent strength. After two applications of spraying, the slurry penetrates concrete blocks to a depth exceeding

Droplet deformation in liquid-liquid dense-packed zones (DPZs) significantly impacts the dispersed phase volume fraction and droplet coalescence, which is crucial to phase separation processes in various industrial equipment. This study introduces a modeling approach to describe droplet deformation into polyhedral shapes in polydisperse DPZs. Droplet deformation, characterized by the contact radius

The thermal sensitivity of hazardous chemicals makes them prone to causing fires and explosions during storage and use, posing severe safety risks. This study selects azobisisobutyronitrile (AIBN), a typical thermosensitive azo compound, as the research object to systematically investigate its explosion characteristic parameters under different ignition methods. NaHCO3 and DW are employed as suppressants

This study examines the effect of short chain alcohols on the spreading of aqueous solutions of a superspreading trisiloxane surfactant on a polymeric substrate. In the absence of alcohol, fast spreading (superspreading) was observed with the spread area being proportional to time. An increase of alcohol concentration resulted in a slowing down of the spreading kinetics. The spreading exponent reached

Core-shell capsules are good carriers for various applications, such as food administration and drug delivery. The precise control of the emulsification process is essential for the controlled preparation of core–shell capsules. Here, a vibration-assisted millifluidic system is developed to achieve the controlled preparation of millimeter-size core–shell capsules with tunable size and property. With