Solid Metal Research Articles

HIGH-SPEED VIDEO IMAGE ANALYSIS OF LIQUID METAL ATOMIZATION PROCESS

Gas-assisted atomization is used to produce metal powders for additive manufacturing. In these systems the primary atomization governs the powder size distribution, but it is experimentally challenging to investigate. In this study, the primary atomization of a molten metal spray was monitored with a calibrated high-speed camera and digital image processing. The technique enabled the generation of spatio-temporal maps at different distances from the nozzle. Among the characteristics of the spray, mean values and standard deviation of the spray width along the spraying direction, and the frequency of the oscillation of the spray boundaries are presented. Statistically relevant spray asymmetries were identified, which can be caused by faulty spray operation in form of a localized metal solidification at the pouring nozzle. By systematically varying the gas temperature and the gas atomization pressure, it is shown that heating of the gas up to 573 K stabilizes the spraying process and enhances the liquid dispersion in the recirculation zone.

Structural characteristics and high-temperature friction properties of a solid metal surface with a laser-melted coating of high-entropy alloy

Structural characteristics and high-temperature friction properties of a solid metal surface with a laser-melted coating of high-entropy alloy

Influence of temperature effect on properties of modified magnesium slag-based low-carbon paste backfill materials

Coal mining subsidence and bulk solid waste storage are the bottleneck problems for achieving green and low-carbon development in northern Shaanxi. Aiming at the demand of filling mining in coal mines in northern Shaanxi, a modified magnesium slag-based low-carbon paste backfill materials (MMS-PBM) was proposed, which realized the safe disposal and resource utilization of solid waste. In-depth understanding of the influence of temperature effect (initial temperature: 5 ∼ 50 °C and curing temperature: 20 ∼ 50 °C) on the performance of MMS-PBM is helpful to optimize the mix ratio and filling period of filling materials. Based on this, relevant tests and tests (including setting time test, Mini-slump test, rheological test, uniaxial compressive strength test, microscopic test and leaching toxicity test) were carried out to explore the influence mechanism of temperature effect on the performance of MMS-PBM. results showed: (1) The rheological curve of fresh MMS-PBM slurry is highly consistent with the Herschel-Bulkley (H-B) model, and the fluidity meets the pumping requirements of coal mine filling. With the increase of initial temperature, the yield stress and apparent viscosity of fresh slurry increased, while slump, expansion and thixotropy decreased. (2) The increase of initial temperature inhibits the development of early mechanical properties of MMS-PBM, which is mainly affected by the metastable film hypothesis. (3) The curing temperature is conducive to the development of mechanical properties of MMS-PBM, and meet the requirements of mechanical properties of coal mine. With the increase of curing temperature, the main growth range of mechanical properties gradually changes from 7–28 d to 3–7 d, which is consistent with the change of microstructure. (4) The leaching concentration of heavy metals in MMS-PBM meets the requirements of national standards, but the increase of curing temperature has an inhibitory effect on the solidification of heavy metals. The above results show that MMS-PBM is a safe, green and low-carbon all-solid waste filling material, which is beneficial to the coordinated development of coal resource mining and environmental protection.

Research progress of geopolymer solidification / stabilization of heavy metal contaminated soil

As a new type of green and environmentally friendly aluminosilicate gel material, geopolymer has attracted much attention from scholars for its good ability to immobilize heavy metals compared with traditional cement-based curing agents. Based on the research progress of geopolymer solidification of heavy metal contaminated soil at home and abroad in recent years, this paper introduces the process of geological polymerization reaction. The solidification mechanism of geopolymer on heavy metal contaminated soil and the influence of different factors on the solidification effect of geopolymer on heavy metal contaminated soil are described in detail. The leaching characteristics of heavy metals in geopolymer solidified heavy metal contaminated soil under freeze-thaw cycle, dry-wet cycle and carbonization were further discussed. Finally, the problems existing in the solidification of heavy metal contaminated soil by geopolymer are analyzed and the future research and development direction is prospected.

Solid-State Polymer Battery: Manufacturing Process and Characterization

Solid-state batteries are a promising technology that could provide higher energy density, better safety, longer cycle life and a wider operating temperature range than current commercial LiBs [1] .The solid electrolyte is the main component of all-solid-state batteries. It can be ceramic, glass, polymer, or a mixture. Solid Polymer Electrolyte (SPEs) have received distinctive attention, especially by industry, owing to their potential advantages such as safety, lightweight, high flexibility, and realistic processability. However, despite fast growing interest in solid-state technology, reports on the scalable production of all-solid-state lithium-ion batteries using electrodes with meaningful areal capacities are rather scarce [2] . Moreover, chemical, and mechanical challenges remain. The intimate contact between the electrode and the solid electrolyte is difficult due its non-infiltrative nature. This lack of intimate contact severely limits the cycling properties [3] . The development of effective strategies to alleviate the issue of physical contact is imperative in the engineering of solid-state batteries [4] .In the frame of SAFELiMOVE (Advanced all Solid stAte saFE Lithium Metal technology tOwards Vehicle Electrification) project, we assemble a solid-state pouch based on lithium metal anode, a solid polymer electrolyte layer and a compatible cathode. In work, we report on a reliable fabrication process of large-scale all-solid-state lithium-ion batteries using cathodes prepared by CIDETEC, lithium anode provided by Hydro-Quebec, polymers provided by CICe, inorganic filler provided by SCHOTT and a solid polymer electrolyte manufactured at SAFT.All-solid-state lithium-ion battery pouch cells have been successfully built with consistent electrochemical performance. Cycling that shows the good performance of those cells and the lesson learned regarding their cycling conditions will be presented. [1] J. Motalli, “A solid future Nature, 526, S96 (2015) [2] Ningxin Zhang et al “Scalable preparation of practical 1Ah all-solid-state lithium-ion batteries cells and their abuse tests”, Journal of Energy Storage 59 (2023) 106547 [3] Li et al.“Atomically Intimate Contact between Solid Electrolytes and Electrodes for Li Batteries” Mater 1, 1001-1016, October 2, 2019. [4] Theodosios Famprikis, Pieremanuele Canepa, James A. Dawson, M. Saiful Islam and Christian Masquelier“Fundamentals of inorganic solid-state electrolytes for batteries” Nature Materials-August 2019. Figure 1

Chemical and Electrochemical Interaction of Halide and Sulfide-Based Electrolytes in Solid-State Batteries

Introduction Conventional lithium-ion batteries (LIBs) have found widespread small and large applications. However, safety issues and capacity degradation of the cells, in general, can occur due to the use of toxic and flammable liquid electrolytes [1]. As one of the next-generation LIBs, solid-state lithium batteries (SSBs) have the potential to replace liquid electrolyte LIBs due to their safety and potentially high energy density [2]. The key component of SSBs is the solid-state electrolyte (SSE). Sulfide and halide-based solid electrolytes are among the hot topics in solid electrolyte research for SSBs. Despite the advantages of solid electrolytes, such as good compatibility with high-voltage cathode materials and soft fabrication. However, the poor chemical and electrochemical stability of sulfide and halide-based solid electrolytes towards Li metal has a critical problem that causes the degradation of the lithium/solid electrolyte interface due to the formation of side reaction components that leads to inhibiting lithium kinetics [3]. Results and Discussion Here, we have shown that a combination of halide and argyrodite (Li6PS5Cl) solid electrolytes can lead to the prevention of the formation of unfavorable interactions between solid electrolytes and lithium metal anode. The combination of halide and argyrodite (Li6PS5Cl) in the Li/Li symmetric cell can stabilize cycle life and increase the high critical current density (CCD) from C/20 to C/2 in comparison with the pure halide and argyrodite electrolytes. Furthermore, compared to the original halide and argyrodite electrolytes, a high initial coulombic efficiency and cycle life can be maintained when combined with a full Li/NCM cell. This approach to improving halide-based SSBs can provide a fairly simple and efficient strategy. Acknowledgements This project has received funding from the European Union's Horizon Europe programme for research and innovation under grant agreement No. 101069681 (HELENA project).

Three-Dimensional Modeling of Dendrite Formation during Automotive Relevant Cycling

Dendrites commonly form during rapid charging of lithium-ion batteries when plating is favored over intercalation. If not mitigated, the potential exists for dendrites to growth through the separator and short the anode and cathode. One metric for diagnosing plating conditions in a computational model is the minimum local potential at the anode, where plating is seen to be thermodynamically favorable below 0.0 V with respect to Li metal.1, 2 Three-dimensional (3D) models can offer insight to predict the possibility of local lithium plating and can be used as a tool to detect possible global lithium plating onset, so it follows that 3D microstructure models can be used to predict dendrite formation and propagation as well. The moving boundary technique with mesh motion can be utilized to separate the electrolyte region into a liquid phase and a dendrite phase.3 This strategy is implemented in a 3D microstructure model of a lithium-ion battery to observe the growth of dendrites at the anode during rapid charging. Under onset conditions at the solid/electrolyte interface (SEI), the solid metal phase is deposited at the SEI. Upon growth, the overall electrolyte resistance at the tip of the metal phase is reduced, leading to dendrite growth. The 3D model provides valuable insight into various conditions that may cause plating, if dendrites are formed due to plating, and whether the dendrites formed may proceed to a shorting effect.References T. R. Garrick, J. Gao, X. Yang and B. J. Koch, J Electrochem Soc, 168, 010530 (2021).U. Janakiraman, T. R. Garrick and M. E. Fortier, J Electrochem Soc, 167, 160552 (2020).T. Jang, L. Mishra, S. A. Roberts, B. Planden, A. Subramaniam, M. Uppaluri, D. Linder, M. P. Gururajan, J.-G. Zhang and V. R. Subramanian, J Electrochem Soc, 169, 080516 (2022).

Metallurgical Analysis in the Outer Tube Fault Area

In the automotive manufacturing industry, product failures are still found. In this study, one of the automotive components, namely the outer tube of the motorcycle front fork, was cracked. The outer tube is part of the shock absorber component which is also connected to the motorcycle steering system. Failure analysis aims to obtain some data or facts that can indicate the root cause of the failure or failure. Sample preparation which includes the process of selecting the cut area, cleaning and cutting for the fractography process. As for metallography, sample preparation is continued with the process of mounting, sanding, polishing and etching. Fractographic test showed that the fracture occurred in a brittle fracture mode, with no traces of plastic deformation. The morphology of the fracture surface also shows the presence of gas trapped in large quantities. In the metallographic test, the overall microstructure shows an eutectic phase with a uniform dendrite structure pattern, this indicates that metal solidification occurs quite quickly and can cause a lot of gas to be trapped in the metal characterized by the presence of multiple porosities. This can provide an indication of the relationship between the microstructure and the fracture surface morphology. Cracking and brittle fracture can be caused by the stress that occurs in the metal that exceeds the yield and plastic limits due to the large pressure of gas trapped in the metal.

DEVELOPMENT OF A FOUNDRY TECHNOLOGY FOR OBTAINING A CAST PROTECTIVE MODULE BY LOST FOAM CASTING

Purpose. Development of a foundry technology for obtaining a hollow casting of a protective module by lost foam casting.
 Research methods. Computer simulation of foundry processes was used and practical experiments were carried out.
 Results. Based on the analysis of metal pouring processes using computer simulation, the hydrodynamic conditions for pouring the protective module casting with different gating systems were established. With the upper distributed gating system, filling occurs from the center to the edges. At the same time, the hydrodynamic pressure of the metal causes uneven filling of the walls of the casting, as a result of which a large metal flow front is formed. With the lower one-sided downpour system, the area of the flow front decreases, and the filling of the mold occurs evenly, which eliminates the possibility of sand collapse. The results of simulation of metal solidification processes showed that there are no shrinkage holes in the casting of the module, but there is a slight microporosity due to the construction of the casting.
 Scientific novelty. It was determined that the formation of a collapse defect in a casting with the upper gating system during lost foam casting occurs due to a large front of the metal flow, which leads to excessive release of gases and the formation of low vacuum conditions in the core parts of the mold, as a result of which the impact of the jet metal occurs local sand collapse.
 Practical value. The gating system and the overall technological process of obtaining cast protective modules from steel by lost foam casting were optimized.

Characterization of glass-ceramics developed from zinc leaching residue by sintering method

Zinc leaching residue is the waste residue produced by the wet zinc extraction process, which cannot be effectively utilized due to its complex composition and the presence of toxic heavy metals. At this stage, a large amount of residue is piled up in the tailing storage, there is a waste of resources and the risk of environmental pollution. This paper introduced a study on the preparation of glass-ceramic in building materials from zinc leaching residue by the sintering method, using silica sand and albite as additives. It was found that the glass-ceramics prepared with zinc leaching residue incorporation of 70–75 % and sintering temperature in the range of 900–1000 °C exhibited excellent mechanical properties and stable chemical properties. The zinc leaching residue content and the sintering temperature together controlled the crystallization process and influenced the properties of the glass-ceramic. Increasing the zinc leaching residue content caused an increase in the content of non-bridging oxygen bonds in the glass-ceramic, which led to an increase in the degree of polymerization of the matrix and a decrease in the activation energy of the crystallization, which promoted the crystallization process. Higher temperatures provided more energy for the crystal crystallization reaction and facilitated the process. The glass-ceramics showed good solidification of heavy metals and compliance with the requirements for various heavy metals in the toxicity leaching test. The glass-ceramic made from zinc leaching residue eliminated the risk of heavy metals contamination and was a green, harmless, high-performance material that can be used in a wide range of fields.

Polymer/ceramic gel electrolyte with in-situ interface forming enhances the performance of lithium metal batteries

With the introduction of solid-state electrolytes, solid-state lithium-metal batteries face enormous challenges of low electrolyte ion conductivity and high electrode electrolyte interface impedance. Here, we adopt a strategy of combining rigidity and flexibility to design a polymer/ceramic composite gel electrolyte films (CSEs) with a fiber like structure and local defect channels for rechargeable lithium metal batteries. The CSEs synthesized in situ on LiFePO4 electrode by ultraviolet (UV) curing method, which combines the high ionic conductivity of Li6.5La3Zr1.5Ta0.5O12 (LLZTO) ceramic particles and the flexibility of poly(vinylidene fluoride-co -hexafluoropropylene) (PVDF-HFP) polymer electrolyte. In order to investigate the effect of crosslinker on the performance of electrolytes, 1,6-hexanediol diacrylate (HDDA) and ethoxylated trimethylolpropane triacrylate (ETPTA) were used in the preparation process of ultraviolet (UV) curing method. A comparison was made between gel electrolytes using HDDA and ETPTA crosslinkers, electrolytes containing ETPTA exhibited good overall performance in terms of ion conductivity (7.89 × 10−4 S cm−1), Li+ transference number (0.63), glass transition temperature (−26.2 °C), good flexibility, thermal stability. As a result, the assembled LiFePO4||electrolytes containing ETPTA||Li batteries exhibit excellent the first discharge capacity (151.9 mAh g−1 with 0.1C), good rate performance and its capacity retention rate is 93.1 % after 300 cycles. This study provides a new strategy for the rational design and process method of high-performance CSEs for rechargeable solid lithium metal batteries.

Geopolymerization of MSWI fly ash and coal fly ash for efficient solidification of heavy metals: Insights into stabilization mechanisms and long-term leaching behavior

High levels of heavy metals (HMs) are present in municipal solid waste incineration fly ash (MSWI-FA), which requires proper management before landfilling. The aim of this study is to investigate the feasibility of co-disposal of MSWI-FA and coal fly ash (Coal-FA) using geopolymerization technology to solidify heavy metals and to analyze the long-term leaching behavior of heavy metals (HMs). The active silicon, aluminum, and calcium present in MSWI-FA and Coal-FA are essential for the synthesis of geopolymers. The geopolymer with 20 wt% MSWI-FA (M20) achieved the maximum compressive strength of 25.73 MPa, mainly due to the formation of C-A-S-H gels. Heavy metals were effectively immobilized and met the limits of GB18598–2019. The compressive strength of M20 was decreased by 1.6% in sulphuric acid-nitric acid leaching solution for 64 days, but decreased by 57.4% in the acetic acid leaching solution. The geopolymer was more stable in the acid rain environment, resulting in less leaching of heavy metals. The bulk diffusion model (BDM) and Finite Element Method (FEM) could satisfactorily describe the leaching behavior of HMs. The results provide valuable guidance for future waste management practices and the development of solidification processes for MSWI-FA.

Recent progress on non-noble metal catalysts for the deoxydehydration of biomass-derived oxygenates

Abstract The utilization of renewable energy represents an effective way to address current issues associated with fossil fuels. Biomass is considered one type of renewable energy resources with abundant reserves on earth. However, the high oxygen contents and high degree of functionalization of biomass have hindered the direct exploitation of biomass for the production of fuels and chemicals. Considerable efforts have been devoted to developing effective deoxygenation methods capable of reducing the oxygen contents of biomass and its derivatives. The deoxydehydration (DODH) of biomass derivatives to generate olefins over oxophilic metal catalysts is considered a very useful approach in eliminating vicinal OH groups. In recent years, catalysts based on non-noble metals such as Mo, W, and V featuring good catalytic performance have emerged as promising alternatives to classical noble Re-based catalysts for DODH. This review aims to summarize the progress on the DODH of biomass-derived vicinal diols catalyzed by non-noble metals such as Mo, W, and V, with an emphasis on the preparation of catalysts, optimization of experimental conditions, and mechanistic studies. By surveying the performance of non-noble metal catalysts, key factors that determine the DODH activity were proposed, including the choice of reductant, the electronic and steric effects of ligand, and the interaction between solid support and metal center. The latter two could adjust the redox properties of metal centers by directly bonding with ligand or solid support.

Turing Instability of Liquid-Solid Metal Systems.

The classical Turing morphogenesis often occurs in nonmetallic solution systems due to the sole competition of reaction and diffusion processes. Here, this work conceives that gallium (Ga) based liquid metals (LMs) possess the ability to alloy, diffuse, and react with a range of solid metals (SMs) and thus should display Turing instability leading to a variety of nonequilibrium spatial concentration patterns. This work discloses a general mechanism for obtaining labyrinths, stripes, and spots-like stationary Turing patterns in the LM-SM reaction-diffusion systems (GaX-Y), taking the gallium indium alloy and silver substrate (GaIn-Ag) system as a proof of concept. It is only when Ga atoms diffuse over Y much faster than X while X reacts with Y preferentially, that Turing instability occurs. In such a metallic system, Ga serves as an inhibitor and X as an activator. The dominant factors in tuning the patterning process include temperature and concentration. Intermetallic compounds contained in the Turing patterns and their competitive reactions have also been further clarified. This LM Turing instability mechanism opens many opportunities for constructing microstructure systems utilizing condensed matter to experimentally explore the general morphogenesis process.

Passivation-Free, Liquid-Metal-Based Electrosynthesis of Aluminum Metal-Organic Frameworks Mediated by Light Metal Activation.

The production of aluminum (Al) metal-organic frameworks (MOFs) by electrosynthesis using solid-state Al electrodes always faces significant challenges due to the formation of a passivating aluminum oxide layer in the process. Here, we developed a liquid-metal-based method to electrosynthesize an aluminum Al-MOF (MIL-53). This method uses a liquid-state gallium (Ga) anode as a reservoir and activator for a light metal, Al, in the form of Al-Ga alloys that releases Al3+ for the electrosynthesis of Al-MOFs. Introducing Ga into the system inhibits the formation of aluminum oxide passivation layer and promotes the electrochemical reaction for Al-MOF synthesis. The electrosynthesis using liquid Al-Ga alloy is conducted at ambient temperatures for long durations without requiring pretreatment for aluminum oxide removal. We show that the Al-MOF products synthesized from 0.40 wt % Al in liquid Ga lead to the highest crystallinity and possess a specific surface area greater than 800 m2 g-1 and a low capacity for CO2 adsorption that can be used as a potential matrix for CO2/N2 separation. This work provides evidence that employing liquid-metal electrodes offers a viable pathway to circumvent surface passivation effects that inevitably occur when using conventional solid metals. It also introduces an efficient electrosynthesis method based on liquid metals for producing atomically porous materials.

The influence of different alloyed welding materials on the microstructure and mechanical properties of welded interface in TiC cermet MIG welding bonds

The influence of different alloyed welding materials on the microstructure and mechanical properties of the weld interface in TiC cermet was investigated. MIG arc welding was employed to deposit low carbon steel, austenite stainless steel, and Ni-based filler wire onto the surface of the TiC-based cermet to create the weld interface. SEM, EBSD, XRD, microhardness, and shear testing were conducted for characterization. The results indicate that the joints have a (Heat Affect Zone)HAZ-(Partially Melted Zone)PMZ-UZ(Unmixed Zone) -WM(Welding Metal) structure. During the cooling process, the densely distributed TiC particles in the PMZ act as hard phases, leading to stress concentration and microcracks during solidification of the base metal, which affects the shear strength of the joints.

G-C3N4 Boosting the Interfacial Compatibility of Solid-State Lithium-Sulfur Battery

The poor interfacial compatibility between solid electrolyte and lithium metal anode is one of the main obstacles to the development of solid lithium metal battery. Herein, the poly (1,3-dioxolane) (PDOL) polymer is combined with g-C3N4 powders to form a flexible and dense composite solid electrolyte film, which not only possesses high ionic conductivity of 3.7 × 10−4 S·cm−1, high ion migration number up to 0.86, and wide electrochemical stability window of 5.0 V, but also is helpful for inhibiting the growth of lithium dendrites to improve the interfacial stability of the lithium anode and close contact with cathode. The prepared S/g-C3N4-PDOL/Li battery exhibits good rate and cycle performances with a capacity of 550 mAh g−1 at 1 C, and 1150 mAh g−1 at 0.1 C with a capacity retention rate of 83% after 100 cycles. The dense Li3N layer generated by the reaction between g-C3N4 and Li gives g-C3N4/PDOL composite electrolyte a high inhibition ability of lithium dendrites. This composite solid electrolyte film with an interface modification function has good practical application prospects in lithium-sulfur batteries.

High-performance lithium metal batteries based on composite solid-state electrolytes with high ceramic content

The large scale application of solid state lithium metal batteries based on NASICON-type Li1+xAlxTi2-x(PO4)3 (LATP) electrolyte has been hindered by insufficient ion conductivity and interface instability due to the spontaneous Ti4+ reduction reaction between Li metal and LATP. To address these issues, Li1.7Al0.3-xBixTi1.7(PO4)3 (0 ≤ x ≤ 0.03) (LABTP) electrolytes were prepared, and the influence of Bi substitution on the microstructure and conductivity of LATP were investigated. Suitable amount of Bi substitution accelerates densification and improves the ionic conductivity. Furthermore, unlike commonly used polyethylene oxide (PEO) and polyvinylidene difluoride (PVDF), polyvinylbutyral (PVB)-based quasi-solid electrolytes with LABTP is first-time proposed to improve the compatibility and stability of the LATP/Li interface. The synergistic effect of Bi doping and PVB reduces the reduction reaction of Ti4+. Small voltage hysteresis is observed in the corresponding Li||Li symmetric cells. The solid-state Li|LABTP@PVB|LiFePO4 full cell can deliver a high capacity of 146.2 mAh g−1 and a stable cycling performance without reduction after 200 cycles.

2D flake-like garnet electrolytes for solid-state lithium metal batteries

Solid state lithium metal batteries exhibit a great potential for future energy storage due to the merits of high energy density and enhanced safety. However, undesired lithium dendrites growth greatly limits the practical applications. The microstructural regulation of solid-state electrolytes (SSEs) is considered an effective strategy. In particular, the two-dimensional (2D) morphological design of the electrolyte with a physical shielding effect is emerging as a feasible route to inhibit the growth of lithium dendrites. Especially, it can form a soft-rigid hybrid structure when used in composite electrolyte, which is beneficial for further building a physical shield barrier against lithium dendrites. However, SSEs with 2D microstructure are rarely reported due to the lack of mature preparation methods. Herein, a facile optimized co-precipitation method is proposed to fabricate ultrathin (∼300 nm) 2D flake garnet-type Li6.4Al0.2La3Zr2O12 (2D-LALZO). In addition, the synthetic details along with its underlying mechanisms are illuminated through experimental verifications and theoretical speculations, which can be ascribed to the synergistic precipitation of two-dimensional CDs complexes. The as-constructed composite solid electrolyte exhibits increased ionic conductivity and mechanical strength, which achieves a uniform deposition/stripping of lithium metal and long lifespan over 500 h at 0.2 mA/cm2, 0.2 mA h/cm2. Moreover, the assembled LiFePO4/Li full cell exhibits a superior cycling stability with 98 % capacity retention after 120 cycles at 0.1C.

Simultaneous realization of heavy metal Cd solidification and chloride separation in municipal solid waste incineration fly ash: Mechanism and DFT analysis

The solidification of heavy metals and the separation-recycling of chloride salts are effective approaches for the safe disposal of municipal solid waste incineration (MSWI) fly ash. This study achieved the solidification of the excessive heavy metal Cd by transforming MSWI fly ash into a solidified body mainly composed of ettringite, while also purifying the calcium and sulfate ions in the chloride solution. The research results demonstrate that the introduction of aluminum ions rapidly decreases the pH value of the MSWI fly ash reaction system. By adjusting the reaction system to a pH value of 11.50, the conversion rate of calcium ions reaches 99.68%, the separation rate of chloride reaches 95.99%, and the solidification rate of heavy metal Cd reaches 98.92%. Density functional theory (DFT) calculations indicate that the vacancy formation at the Ca-2 position of ettringite and Cd entering the vacancy has a higher probability. The combination of DFT calculations and experiments validates that heavy metal Cd leads to charge redistribution, increased interplanar spacing, and decreased thermal stability of ettringite. The concentration of calcium ions in the solution decreases to 22.64 mg/L, achieving efficient recovery of sodium chloride and potassium chloride in a shorter process. The ettringite-based solidified body contains 0.87% chloride ions, showing potential for resource utilization in cement-based materials.