Gaseous By-products Research Articles

TS-1 zeolite encapsulated Pt clusters with enhanced electronic metal-support interaction of Pt−O(H)−Ti for nearly-zero-carbon-emitting photocatalytic hydrogen production from methanol

Photocatalytic H2 production from methanol is sustainable, yet challenges remain in avoiding carbon-containing gaseous by-products. Titanium silicalite-1 (TS-1) zeolite possesses attractive photocatalytic performance, but lack of modification strategies due to its microporous framework. Herein, we developed a pre-anchoring strategy to confine ultra-small Pt clusters inside TS-1 with ultra-low loading (0.2 mol%), in which Pt were anchored in Ti−OH nests by electronic metal-support interaction (EMSI). The optimal catalyst achieved a remarkable H2 generation rate of 63.2 mmol g–1 h–1 in CH3OH solutions, along with the production of high-value chemical HCHO as the oxidation product with 96.9% selectivity. Investigations reveal that the EMSI between Pt and Ti facilitated the selective decomposition of CH3OH to H2 and HCHO, leading to a nearly zero-carbon-emission process. Accordingly, we propose a light-driven carbon-negative "CO2→CH3OH→H2" route, coupling CO2 utilization and green H2 production with CH3OH as the intermediate, therefore offering a new perspective for "liquid sunshine".

A stock border compensation technique for gaseous energy scheduling in steel enterprises under uncertainty

This study proposes a stock boundary compensation method to address the uncertainty of gaseous energy in integrated steel plants. The uncertainty disrupts the balance of temporary storage, resulting in energy waste, environmental pollution, and disturbances in steel production. The method accurately compensates for the impact of gaseous energy uncertainty on storage. Firstly, this paper takes oxygen and byproduct gas systems as the examples to describe the gas energy system and its scheduling model. The storage deviation caused by gaseous energy uncertainty is quantitatively analyzed using formulas. Subsequently, this study formulates an optimization problem to determine the optimal margin for compensating the storage boundary using a data-driven approach. Comparative experiments demonstrate that the proposed method not only significantly enhances the safety of gaseous energy storage subject to uncertainty, but also outperforms traditional robust optimization and stock fluctuation optimization methods in terms of system robustness against uncertainty and operating cost optimality.

Optimizing operational parameters for highly-concentrated sodium hydroxide production via electrodialysis with bipolar membranes from concentrated brines

Sodium hydroxide necessitates the implementation of cleaner production methods that deviate from the conventional practices in the chlor-alkali industry. New sustainable sources such as concentrated brines, which are typically regarded as waste, are currently being investigated for the production of sodium hydroxide using Electrodialysis with Bipolar Membranes (EDBM). This process has the advantages of not producing gas by-products, reducing operational risks, and providing value to waste brines after converting them into acids or alkali solutions. However, the production of sodium hydroxide via EDBM using brines is limited by the low concentration of the final base (e.g. typically below 2 M), which increases the cost of transport. This study aims to overcome this limitation by optimizing parameters such as salt-to-base volume ratio, initial salt concentration, and current density values. Notably, this research is one of the few to employ Response Surface Methodology with a Central Composite Design to maximize the final sodium hydroxide concentration; two models using second-order polynomial equations were proposed. Results showed the possibility to achieve 5.3 M NaOH under a volume ratio range of 9.8:1–10:1, a current density range of 490 A/m−2 to 500 A/m−2, and an initial salt concentration in the range of 6 M NaCl. Moreover, the energetic analysis showed values of specific energy consumption in a range of 2.5 kWh kgNaOH-1-3.5 kWh kgNaOH-1 and specific productivity of the process up to 3.08 tonNaOH year−1 m−2, which are moderate in comparison with values previously presented in literature. Finally, an economic analysis showed that energy was the most significant cost component, making up 89 % of the total process cost, which was estimated to be 0.69 € kgNaOH-1 (concentration 21.2 % w/w). Overall, these high concentration values open a real chance to shift towards sustainable production of NaOH by means of EDBM from brines, highlighting the novelty of this study.

In-situ gasification-activation system with staged oxidizer supply for generation of activated carbon and intrinsic hydrogen rich by-product gas from coconut shells

In-situ gasification-activation system with staged oxidizer supply for generation of activated carbon and intrinsic hydrogen rich by-product gas from coconut shells

Global Vision of the Reaction and Deactivation Routes in the Ethanol Steam Reforming on a Catalyst Derived from a Ni-Al Spinel.

Ethanol steam reforming (ESR) over a Ni/Al2O3 catalyst prepared by reduction of a NiAl2O4 spinel is a promising alternative route to produce H2 from biomass. This work deepens into the effect of reaction conditions (450-650 °C, a steam/ethanol (S/E) ratio of 3-9, and a weight space time up to 1.3 h) and evaluates the time on stream evolution of the yields of H2, gaseous byproducts (CO, CO2, CH4, C2H4, C2H4O), and formed carbon/coke. The results are explained taking into consideration the thermodynamics, the extent of each individual reaction, and the catalyst deactivation. Up to 600 °C, the predominant intermediate in the H2 formation is C2H4 (formed by ethanol dehydration) with the preferential formation of nanostructured carbon (nanotubes/filaments) by C2H4 decomposition. The deposition of this type of carbon partially deactivates the catalyst, mainly affecting the extent of the C2H4 decomposition causing a sharp decrease in the H2 and carbon yields. Nevertheless, the catalyst reaches a pseudosteady state with an apparent constant activity for other reactions in the kinetic scheme. At 650 °C, C2H4O (formed by the ethanol dehydrogenation) is the main intermediate in the H2 formation, which is the precursor of an amorphous/turbostratic carbon (coke) formation that initially causes a rapid deactivation of the catalyst, affecting the ethanol dehydration and, to a lower extent, the reforming and water gas shift reactions. The increase in the S/E ratio favors the H2 formation, attenuates the catalyst deactivation due to the suppression of the ethanol dehydration to C2H4, and promotes the reforming, water gas shift, and carbon/coke gasification reactions. A H2 yield of 85% stable for 48 h on stream is achieved at 600 °C, with a space time of 0.1 h and an S/E ratio of 9.

Gaseous by-products generated by bus-transfer current switching in dry air and their impacts

Gaseous by-products generated by bus-transfer current switching in dry air and their impacts

Gas-to-Biochar Byproducts of Pyrolysis and Gasification of Star Anise Biomass

In a transition to a circular economy, second-generation biomass energy has come to the forefront. The present study is aimed at characterizing biochar and byproducts of the pyrolysis of star anise residue (ANI) in the N2 and CO2 atmospheres as well as the kinetics and optimal reaction mechanisms based on the Flynn–Wall–Ozawa and Coats-Redfern methods. The ANI pyrolysis involved three stages, with the first one (161.5–559.1°C) as the main phase. The activation energy was lower in the N2 atmosphere than in the CO2 atmosphere (179.44–190.17 kJ/mol). The primary volatile products generated during the ANI pyrolysis were small molecule products (H2O, CO2, CO, and CH4), organic acids, alcohols, and ketones. The atmosphere type exerted a minimal impact on the types of gases released, with the CO2 atmosphere increasing CO and CH4 emissions. The pyrolytic oil of ANI contained a variety of organic compounds, including alcohols, phenols, ketones, acids, sugars, and other nitrogen- and oxygen-containing cyclic compounds, with its predominant compounds being acids, esters, ketones, and sugars. The elevated temperature range of 300–700°C enhanced the charring degree of the ANI biochar. The biochar showed stronger aromaticity in the CO2 atmosphere but better granularity in the N2 atmosphere. This study introduced an innovative perspective by showcasing the potential of ANI as a promising biomass source for energy generation and underscored its abundance, sustainability, and applicability as a raw material in fragrance production. It also emphasized the significance of CO2-reuse technology as a means to mitigate CO2 emissions. The findings of this work offer a theoretical and practical basis for the comprehensive utilization and efficient disposal of star anise residues.

Evaluation of by-product-gas utilization options for carbon reduction at an integrated iron and steel mill

The comprehensive utilization of steel mill by-product gases is an important method for achieving climate goals. In this study, a comprehensive model is proposed for analyzing carbon-emission reduction strategies of by-product gases comprehensive utilization system at an integrated iron and steel mill. The model is used to explore carbon-emission reduction performance applying blast furnace with top-gas recycling (TGR-BF) and carbon capture and storage (CCS) applications, as well as consequent influence on steam and power cogeneration system (SPCS) operation. Carbon-emission intensity, total emission reduction and unit reduction cost are used to evaluate the carbon reduction result of by-product gases comprehensive utilization system. The results of the study indicate that the upgrade of SPCS can achieve an emission reduction of 311,200 tCO2, and the carbon-emission intensity of the power and heat supply can be reduced by 0.14 tCO2/104 kWh and 0.02 tCO2/GJ, respectively. After TGR-BF technology is applied, the total emission reduction peaks at the top-gas recovery rate of 6%, which is 85,100 tCO2. The unit reduction cost is also minimized at the top-gas recovery rate of 6%. Sensitivity analysis indicates that the reduction of power price significantly reduces the unit reduction cost.

Study on the Co-combustion characteristics and synergistic effect of semi-coke and dust coal produced from biomass briquette in fluidized bed gasification

Biomass briquette semi-coke (BFSC) is one of the byproducts of biomass gasification. It is difficult to reuse due to its inadequate carbonization, unsatisfactory pore structure, and surface properties. Co-combustion of BFSC with coal-fired boilers can be a cost-effective usage of biomass gasification semi-coke while also improving dust coal's combustion characteristics. However, research on the optimal blending ratio, co-combustion properties, and synergistic effects of BFSC and dust coal is lacking. This study conducted experimental and theoretical research on the co-combustion and reaction kinetic characteristics of BFSC and dust coal with a 0.3 MW pilot experimental system. The findings indicate that during co-combustion, sawdust semi-coke (SC), eucalyptus bark semi-coke (EBC), rice husk semi-coke (RHC), and corn straw semi-coke (CSC) exhibit favorable synergistic effects. At a 25 % blending ratio, the corresponding synergistic parameter indexes (SPIs) were 1.313, 1.053, 1.001, and 1.042. Adding EBC and SC may significantly promote the combustion of dust coal and make it enter the combustion stage sooner, improving combustion stability. When 25 % RHC or CSC is co-combusted, the activation energy predicted by the kinetic control equations is 17 kJ/mol and 5 kJ/mol lower than theoretical values, with a relative error of less than 3 %. The annual EBC output from a 1-ton biomass boiler may replace roughly 706 tons of normal coal, lowering CO2 emissions by approximately 634 tons and producing a direct economic gain of $33300. Therefore, BFSC is a low-carbon and low-cost coal boiler fuel with great potential for large-scale industrial applications.

Multiscale analysis of fine slag from pulverized coal gasification in entrained-flow bed

Fine slag (FS) is an unavoidable by-product of coal gasification. FS, which is a simple heap of solid waste left in the open air, easily causes environmental pollution and has a low resource utilization rate, thereby restricting the development of energy-saving coal gasification technologies. The multiscale analysis of FS performed in this study indicates typical grain size distribution, composition, crystalline structure, and chemical bonding characteristics. The FS primarily contained inorganic and carbon components (dry bases) and exhibited a "three-peak distribution" of the grain size and regular spheroidal as well as irregular shapes. The irregular particles were mainly adsorbed onto the structure and had a dense distribution and multiple pores and folds. The carbon constituents were primarily amorphous in structure, with a certain degree of order and active sites. C 1s XPS spectrum indicated the presence of C–C and C–H bonds and numerous aromatic structures. The inorganic components, constituting 90% of the total sample, were primarily silicon, aluminum, iron, and calcium. The inorganic components contained Si–O-Si, Si–O–Al, Si–O, SO42−, and Fe–O bonds. Fe 2p XPS spectrum could be deconvoluted into Fe 2p1/2 and Fe 2p3/2 peaks and satellite peaks, while Fe existed mainly in the form of Fe(III). The findings of this study will be beneficial in resource utilization and formation mechanism of fine slag in future.

Biodiesel-Derived Waste Glycerol as a Green Template for Creating Mesopores in the ZSM-5 Catalyst for Aromatics Production Applications.

The present study provides a novel sustainable approach for the synthesis of the ZSM-5 catalyst using biodiesel-derived waste glycerol as a green template as well as a mesopore creator, which is here reported for the first time, to the best of our knowledge. The use of bioglycerol in the preparation of ZSM-5 (Zn-Z-G and Zn-Z-T) materials exhibited a typical MFI zeolite structure, indicating glycerol played a similar role to that of a typical (TPA+) template in the formation of the ZSM-5 zeolite structure. The Zn-Z-G material also exhibited a large mesopore in the ZSM-5 pore structure, suggesting that glycerol played both template and mesopore creator roles. Interestingly, Zn-Z-GT prepared by the dual-template route using bioglycerol along with typical TPA+ showed a MFI zeolite structure with special catalytic features such as hierarchical micromesopores and well-balanced acid sites. These results reveal that the use of bioglycerol along with a typical TPA+ template had a promotional effect on creating such special properties in the Zn-Z-GT material. The Zn-Z-GT catalyst exhibited excellent catalytic performance in the naphtha aromatization reaction, resulting in achieving ∼58 wt % of the aromatic product and useful gas byproduct (14 wt %) with a minimum coke content (∼4 wt %) in a 12 h reaction period ascribed to its combined effect of hierarchical micromesopores and well-balanced acidity with optimum Lewis acid sites. The liquid product possessing high alkyl-aromatics with a high octane value (RON ∼ 109) produced in the present study can be used as an octane booster for liquid gasoline. The high alkyl-aromatics (>50 wt %) content of the liquid product also attracts various petrochemical applications. The effective utilization of waste bioglycerol as a green template and mesopore creator for the preparation of Zn-Z-GT can exhibit sustainability in the resultant material.

Gasification Performance of Barley Straw Waste Blended with Lignite for Syngas Production under Steam or Carbon Dioxide Atmosphere

The gasification performance of lignite/barley straw mixtures for syngas production was investigated. The experiments were carried out under a steam or carbon dioxide atmosphere, in fixed-bed and thermogravimetric–mass spectrometry systems. The thermal behavior, reactivity, conversion, product gas composition, liquid and gaseous by-products and interactions between fuels were determined and correlated with the structural characteristics and inherent minerals in ashes, which were analyzed via mineralogical, chemical and fusibility tests. Devolatilization of the materials up to 600 °C resulted in the carbon enrichment of chars and a 30–90-fold increase in the specific surface area. Gaseous and liquid by-products with higher heating values of 5–7 MJ/m3 and 20–28 MJ/kg could offer valuable energy. Upon steam gasification up to 1000 °C, product gas was enriched in hydrogen and carbon monoxide. The syngas yield and heating value of the gas mixture were higher for barley straw fuel (0.77 m3/kg, 11.4 MJ/m3), which, when blended with the lignite, produced upgraded products. Upon carbon dioxide gasification up to 1000 °C, barley straw char exhibited a 3-times higher rate than the lignite, as well as higher conversion (94.5% vs. 62.9%) and a higher syngas yield (0.84 m3/kg vs. 0.55 m3/kg). Lignite/barley straw blends showed synergistic effects and presented higher gasification reactivity and conversion in comparison to lignite. The overall performance of lignite was improved with the steam reagent, while that of barley straw was improved with the carbon dioxide reagent.

Deep Oxidation of Chlorinated VOCs by Efficient Catalytic Peroxide Activation over Nanoconfined Co@NCNT Catalysts.

The catalytic removal of chlorinated VOCs (CVOCs) in gas-solid reactions usually suffers from chlorine-containing byproduct formation and catalyst deactivation. AOP wet scrubber has recently attracted ever-increasing interest in VOC treatment due to its advantages of high efficiency and no gaseous byproduct emission. Herein, the low-valence Co nanoparticles (NPs) confined in a N-doped carbon nanotube (Co@NCNT) were studied to activate peroxymonosulfate (PMS) for efficient CVOC removal in a wet scrubber. Co@NCNT exhibited unprecedented catalytic activity, recyclability, and low Co ion leakage (0.19 mg L-1) for chlorobenzene degradation in a very wide pH range (3-11). The chlorobenzene removal efficiency was kept stable above 90% over Co@NCNT, much higher than that of nonconfined Co@NCNS (45%). The low-valence Co NPs achieved a continuous electron redox cycling (Co0/Co2+ → Co3+ → Co0/Co2+) and greatly promoted the O-O bond dissociation of PMS with the least energy (0.83 eV) inside the channel of Co@NCNT to form abundant HO• and SO4•-. Thus, the deep oxidation of chlorobenzene was achieved without any biphenyl byproducts from the coupling reaction. This study provided a new avenue for designing novel nanoconfined catalysts with outstanding activity, paving the way for the deep oxidation of CVOC waste gas via AOP wet scrubber.

Experimental studies on effects of electrode material and voltage on electrolytic decomposition of Hydroxylammonium nitrate solution

Hydroxylammonium nitrate (HAN)-based propellants have been attracting attention as future low-toxicity liquid propellants owing to their ionic properties. HAN-based propellants are primarily decomposed via catalytic reactions. However, this method has several drawbacks, such as catalyst preheating and deactivation. Therefore, in this study, the electrical characteristics of the electrolysis process of a HAN solution, as well as the by-product gases and reaction residues were analyzed considering the electrode material and applied voltage as the controlling variables. SUS (a designation of stainless steel) electrodes have higher durability than Cu electrodes; however, their decomposition proceeds more slowly because of the suppression of the initial reaction at low voltages. This study confirmed that this suppression could be significantly addressed at a high voltage of 400 V. The investigated electrolytic decomposition mechanism of the HAN solution was validated by analyzing the gases generated during the electrolysis and residue after the reaction, using Fourier-transform infrared spectroscopy. This study has important implications for the development of volume-limited propulsion systems, such as micro-thrusters.

Catalytic hydrolysis of carbonyl sulfide in blast furnace gas over Sm-Ce-Ox@ZrO2 catalyst.

Carbonyl sulfur (COS) is a prominent organic sulfur pollutant commonly found in the by-product gas generated by the steel industry. A series of Sm-doped CeOx@ZrO2 catalysts were prepared for the hydrolysis catalytic removal of COS. The results showed that the addition of Sm resulted in the most significant enhancement of hydrolysis catalytic activity. The 3% Sm2O3-Ce-Ox@ZrO2 catalyst exhibited the highest activity, achieving a hydrolysis catalytic efficiency of 100% and H2S selectivity of 100% within the temperature range of 90-180 °C. The inclusion of Sm had the effect of reducing the acidity of the catalyst while increasing weak basic sites, which facilitated the adsorption and activation of COS molecules at low temperatures. Appropriate doping of Sm proved beneficial in converting active surface chemisorbed oxygen into lattice oxygen, thereby decreasing the oxidation of intermediate products and maintaining the stability of the hydrolysis reaction.

Numerical Simulation of Spatial Atomic Layer Deposition on Moving Substrates with Microgrooves and Porous Structures

The need of ultrathin and highly conformal coatings on large-area microstructure substrates such as photovoltaic cells, flexible displays, and Li-ion battery (LIB) electrodes has driven the development of high-efficient ALD. Spatial ALD is a promising high-throughput technique capable of producing ultrathin films on large substrates, which can reach up to two orders of magnitude faster than temporal ALD. However, spatial ALD is a complex and strong-coupled process of fluid flow, heat and mass transfer, as well as chemical reactions. Compared to the flat substrate, the diffusion process in the microstructures takes longer, limiting the substrate velocity and the deposition rate. In this work, spatial ALD on moving microgroove substrates and porous LIB electrodes are quantitatively studied through the multiscale modelling method by coupling computational fluid dynamics (CFD) with chemical kinetics. Dynamic mesh method is implemented to simulate the ALD reaction with the in-line movement of the substrate. Results show that the vortices always exist in the micro-gap with microgroove substrates. Besides, the top of the microstructure on the first contact with the precursor is the highest, and the surface coverage at the corner on the other side of the microstructure is the lowest. For porous LIB electrodes with large specific surface area, the film coating depth is limited by both the low precursor diffusion rate and the amount of precursor supply. Increasing the carrier gas flow rate increases the film coating depth by increasing the precursor supply over the same time period. Besides, the gas byproduct of ALD remaining at the electrode bottom can be more effectively removed. Quantitative process optimizations of substrate velocity and precursor concentration for different electrode structures are also carried out. It is found that the electrode gradient design with higher porosity on the top is beneficial for obtaining deeper coating depth and higher precursor utilization compared to the inverse gradient design. The present multiscale modeling work provides a comprehensive understanding and important guidance for the industrial application of the spatial ALD process on microstructure substrates.

Prediction of product yields from lignocellulosic biomass pyrolysis based on gaussian process regression

The physicochemical characteristics of biomass, as well as the operational conditions of pyrolysis, are crucial factors that influence the production yield of tri-phase products during the pyrolysis of lignocellulosic biomass. Gaussian process regression (GPR) algorithms, being significant machine learning algorithms, are utilized for the prediction of pyrolytic product yields. These algorithms take into account the influence of biomass characteristics and pyrolysis conditions in a comprehensive manner. All of the prediction models exhibit strong performance, with R2 values exceeding 0.90 and RMSE values below 0.18. The study employed the Partial Dependence Plot (PDP) method to assess the influence patterns of individual features or interactions between two factors on the pyrolysis products. The findings indicate that the ultimate temperature reached during the pyrolysis process is a critical factor in influencing the generation of gaseous byproducts and solid residues. Specifically, higher temperatures are associated with increased production of gaseous byproducts and decreased production of solid residues. The optimal liquid phase yield was achieved at temperatures between 500 °C and 650 °C. In this research, the Particle Swarm Optimization (PSO) algorithm was employed to predict the optimal yields of pyrolysis products. This study offers a novel perspective on predicting product yields from the pyrolysis of lignocellulosic biomass with varying biomass characteristics and under different operational conditions.

Study on safe disposal of cephalosporins based on kinetic pyrolysis mechanism

Abstract Based on the global goals for cleaner production and sustainable development, the pyrolysis behavior of cephalosporin residues was studied by TG-MS method. The influence of full temperature window on the safe disposal of residues was analyzed based on the “3-2-2” and “1+1” of thermal analysis kinetics, and the gas by-products of thermal degradation were monitored. Results showed that the pyrolysis of distillation residues were divided into low and high-temperature zones, including six stages. Maximum error rate (8.55%) by multiple scan rate was presented based on “3-2-2” pattern and maximum total fluctuation (33.7) by single scan rate was presented based on “1+1” pattern, which implied that the comprehensive multi-level comparison method was very reliable. The E value “E” of six stages showed an increasing trend ranging 166.8 to 872.8 kJ/mol. LgA (mean) was 27.28. Most mechanism function of stage 1, 2 were Z-L-T equation (3D), stage 3, 4, 6 were Avrami-Erofeev equation (AE3, AE4, AE2/3) and stage 5 was Reaction Order (O2). In addition, various small molecular micromolecule substances were detected such as C2H4O, C2H6, NH3, CH4, CO2 under full temperature windows and a possible pyrolysis path of residues was provided.

Understanding of gas-phase methane pyrolysis towards hydrogen and solid carbon with detailed kinetic simulations and experiments

Methane (CH4) pyrolysis is studied in a tubular flow reactor for the production of hydrogen and solid carbon by combining kinetic modelling, numerical simulation and experiments in a high-temperature flow reactor. Operating conditions are varied such as temperature in the range of 1273–1873 K, hydrogen addition to the feed with a molar H2:CH4 ratio between 0 and 4, and residence time in the range of 3–7 s. Elementary-step reaction mechanisms consisting of pyrolysis and carbon coupling reactions among C1, C2, aromatic and polycyclic aromatic hydrocarbon species are used in the numerical simulations of the species profiles in flow direction. A thermodynamic analysis is performed to acquire the boundary conditions for operation as well to estimate probable by-products (C2H2, C2H4, C2H6, C6H6, C16H10 etc.) over the temperature range. Gas-phase kinetic modelling is performed revealing that CH4 conversion starts at temperatures above 1273 K. Higher temperatures increase CH4 conversion and H2 yield peaking at 1573 K. The cooling temperature gradient downstream of the hot zone in the reactor causes reverse reactions in gas-phase suppressing CH4 conversion. H2 addition to the feed is found to be a crucial parameter for controlling the by-product formation. In the experimental study, a solid carbon yield of 84 % is achieved while gaseous by-products remain less than 1 mol-% at 1673 K, H2:CH4 ratio of 2, and residence time of 5 s. Gas-phase reactions are found to be coupled to surface reactions at higher temperatures.

Regulating the structure of crosslinked polyethylene and its application in ultra‐high voltage cables

AbstractThe crystallinity of polyethylene has been extensively studied, but in situ experiments designed to investigate the crystallization of PE and XLPE have hardly been discussed. In this work, the crystallization behavior of PE and XLPE was investigated by designing in situ crystallization observation experiments. We have compared the crystallinity, crosslinking, viscosity properties, and gas byproducts of different XLPE insulating materials. COMSOL simulations demonstrate that the DTAP and DTBP crosslinker initiated crosslinks have better insulating properties and cable stability than the DTBC and DTBTMC crosslinkers. The formation of an insulation layer initiated by the DTAP crosslinker is beneficial for improving the breakdown strength, processing performance, and stable operation of cables. Our work is of great significance for understanding the crystallinity of XLPE and determining the correct crosslinker.Highlights In situ crystallization observation of PE and XLPE. Simulation of ultra‐high voltage cables. Finite element analysis. Investigation of gas byproducts in XLPE.