Intermediate Conversion Research Articles

Exploring the mechanism of alkali metal K-catalyzed biomass char gasification using in-situ DRIFTS and molecular simulation

Although alkali metal potassium (K)-catalyzed char gasification has been widely studied, the detailed mechanism of this process is still not fully understood. To study this catalytic mechanism in more detail, high-temperature in-situ DRIFTS experiments were carried out for the gasification of cellulose char with K and cellulose char without K under H2O and O2 atmospheres, transient gasification experiment of char with K under H2O atmosphere, and char with K gasification under isotope water atmospheres. Peaks at 1945 cm−1 and 2020 cm−1 were observed. Combined with the theoretical spectra obtained by quantum chemical simulations and the prediction of catalytic gasification intermediates by molecular dynamics simulations, these two peaks were confirmed to represent char-polyynes species. Based on this result, a new mechanism is proposed: K interacts with carboxyl groups and aromatic ketones to promote desorption, thereby exposing active sites. Then, K reacts with the edge of the activated char to form numerous highly active char-polyynes species. The polyynes edge of this char-polyynes phase provides ideal adsorption–desorption sites, enabling further reaction with the gasifier. Thus, gas desorption is promoted. The adsorption and desorption peaks of catalytic gasification under the H2O atmosphere were located at 1400 cm−1 and 1300 cm−1, and these peaks represented stable adsorption states and unstable desorption precursors, respectively. Based on this, adsorption–desorption theory was analyzed more comprehensively, and the adsorption–desorption process was divided into three stages: initial adsorption, intermediate conversion, and desorption. The comprehensive new mechanism proposed in this paper provides a better understanding of the nature of char catalytic gasification at a deeper level.

D-Band-Center-Engineered Platinum-Based Nanozyme for Personalized Pharmacovigilance.

A high-efficiency PtZnCd nanozyme was screened with density functional theory (DFT) and unique d-orbital coupling features for sensitive enrichment and real-time analysis of CO-releasing molecule-3 (CORM-3). Multicatalytic sites in the nanozyme showed a high reactivity of up to 72.89 min-1 for peroxidase (POD)-like reaction, which was 2.2, 4.07, and 14.67 times higher than that of PtZn (32.67 min-1), PtCd (17.89 min-1), and Pt (4.97 min-1), respectively. Normalization of the catalytic sites showed that the catalytic capacity of the active site in PtZnCd was 2.962 U μmol-1, which was four times higher than that of a pure Pt site (0.733 U μmol-1). DFT calculations showed that improved d-orbital coupling between different metals reduces the position of the center of the shifted whole d-band relative to the Fermi energy level, thereby increasing the contribution of the sites to the electron transfer from the active center, accompanied by enhanced substrate adsorption and intermediate conversion in the catalytic process. The potential adsorption principle and color development mechanism of CORM-3 on PtZnCd were determined, and its practical application in drug metabolism was validated in vitro and in zebrafish and mice models, demonstrating that transition-metal doping effectively engineers high-performance nanozymes and optimizes artificial enzymes.

D‐Band‐Center‐Engineered Platinum‐Based Nanozyme for Personalized Pharmacovigilance

AbstractA high‐efficiency PtZnCd nanozyme was screened with density functional theory (DFT) and unique d‐orbital coupling features for sensitive enrichment and real‐time analysis of CO‐releasing molecule‐3 (CORM‐3). Multicatalytic sites in the nanozyme showed a high reactivity of up to 72.89 min−1 for peroxidase (POD)‐like reaction, which was 2.2, 4.07, and 14.67 times higher than that of PtZn (32.67 min−1), PtCd (17.89 min−1), and Pt (4.97 min−1), respectively. Normalization of the catalytic sites showed that the catalytic capacity of the active site in PtZnCd was 2.962 U μmol−1, which was four times higher than that of a pure Pt site (0.733 U μmol−1). DFT calculations showed that improved d‐orbital coupling between different metals reduces the position of the center of the shifted whole d‐band relative to the Fermi energy level, thereby increasing the contribution of the sites to the electron transfer from the active center, accompanied by enhanced substrate adsorption and intermediate conversion in the catalytic process. The potential adsorption principle and color development mechanism of CORM‐3 on PtZnCd were determined, and its practical application in drug metabolism was validated in vitro and in zebrafish and mice models, demonstrating that transition‐metal doping effectively engineers high‐performance nanozymes and optimizes artificial enzymes.

Enhanced Ferroelectric Polarization in Au@BaTiO3 Yolk-in-Shell Nanostructure for Synergistic Boosting Visible-Light- Piezocatalytic CO2 Reduction.

Developing efficient photo-piezocatalytic systems to achieve the conversion of renewable energy to chemical energy emerges enormous potential. However, poor catalytic efficiency remains a significant obstacle to future practical applications. Herein, a series of unique Au@BaTiO3 (Au@BT) yolk-shell nanostructure photo-piezocatalyst is constructed with single Au nanoparticle (Au NP) embedded in different positions within ferroelectric BaTiO3 hollow nanosphere (BT-HNS). This special structure showcases excellent mechanical force sensitivity and provides ample plasmon-induced interfacial charge-transfer pathways. In addition, the powerful piezoelectric polarization electric field induced by the enhanced ferroelectric polarization electric field via corona poling treatment in BT-HNS further promotes charge separation, CO2 adsorption and key intermediate conversion. Notably, BT with single Au NP encapsulated into hollow nanosphere shell with reinforced polarization (Au@BT-1-P) shows synergistically improved photo-piezocatalytic CO2 reduction activity for producing CO with a high production rate of 31.29 µmol g-1 h-1 under visible light irradiation and ultrasonic vibration. This work highlights a generic tactic for optimized design of high-performance and multifunctional nanostructured photo-piezocatalyst. Meanwhile, these yolk-in-shell nanostructures with single Au nanoparticle as an ideal model may hold great promise to inspire in-depth exploration of carrier dynamics and mechanistic understanding of the catalytic reaction.

Mathematical and neuro-mathematical connections activated by a teacher and his student in the geometric problems-solving: A view of networking of theories

The research goal is twofold: to articulate neuro-mathematics with the extended theory of mathematical connections that uses onto-semiotic approach tools and to explore the connections established by a teacher and his student when solving a problem about the volume of two boxes, one of toothpaste and the other of tomato. This research was developed in two stages: the theories were articulated assuming concordances and complementarities, highlighting the notion of connection, and a context of reflection was considered carried out in three phases where the participants were selected, participant observation was carried out in the classroom during solving a problem and then analyzing the data with the new tool to explore mathematical and neuro-mathematical connections. The findings present the mathematical connections established by the teacher and the student of meaning, feature, procedural, different representations (alternate, equivalent, and from a horizontal mathematization view), and part-whole, as well as neuro-mathematical connections of: recognition of terms and symbols; visual perception, spatial skills and motor coordination; association of mathematical concepts and formulas; intermediate calculations and unit conversion; solve operations step by step and understand the process; verification and conclusion, activated in the brain areas linked to each mathematical practice sequentially.

Efficient photocatalytic CO2 and Cr(VI) reduction on carbon quantum dots/carbon nitride heterojunctions

Carbon quantum dots (CQDs), known for their exceptional optical properties, hold the potential to enhance light absorption, charges separation and transfer in semiconductor materials. However, using cheap medicinal materials as precursors in the field of photocatalysis to obtain CQDs has seldom concerned. In this study, we utilized biomass-derived CQDs from carbon-rich licorice powder to improve photocatalytic CO2 and Cr(VI) reduction in polymer carbon nitride (PCN). The CQDs/g-C3N4 heterojunctions were synthesized via a hydrothermal method, and the successful fabrication and integration of CQDs on g-C3N4 surfaces were confirmed through detailed characterization. The optimal sample with a licorice powder to PCN mass ratio of 0.05:1 ((50CQDs/CN) demonstrates a tripling in CO2 conversion efficiency under simulated sunlight compared to the reference PCN. Under visible light irradiation, the 50CQDs/CN also performs superior photocatalytic Cr (VI) removal efficiency, which is 2.48 times of that of the reference PCN. This significant boost is attributable to the successful construction of the CQDs/CN heterojunction and the abundance of functional groups on the CQDs surface, which provide more active sites, improve light absorption and increase charges migration rates. The stability of these new photocatalysts was confirmed through repeated photocatalytic cycles, indicating their potential for practical applications. Mechanistic studies reveal insights into the enhanced photocatalytic pathways and intermediate conversion processes. Our findings present a novel, efficient and sustainable route to fabricate g-C3N4-based photocatalysts, offering a promising strategy for further mitigate the greenhouse gas crisis and environmental pollution.

Synergistic Electrocatalysis and Spatial Nanoconfinement to Accelerate Sulfur Conversion Kinetics in Aqueous Zn−S Battery

AbstractAqueous zinc batteries based on the conversion‐type sulfur cathodes are promising in energy storage system due to the high theoretical energy density, low cost, and good safety. However, the multi‐electron solid‐state intermediate conversion reaction of sulfur cathodes generally possess sluggish kinetics, which leads to lower discharge voltage and inefficient sulfur utilization, thus suppressing the practical energy density. Herein, sulfur nanoparticles derived from metal–organic frameworks confined in situ within electrospun fibers derived sulfur and nitrogen co‐doped carbon nanofibers (S@S,N−CNF) composite, which possesses yolk–shell S@C nanostructure, is fabricated through successive sulfidation, pyrolysis, and sulfide oxidation processes, and served as a high‐performance cathode material for Zn−S battery. The S and N dopants on carbon can collectively catalyse sulfur reduction reaction (SRR) by lowering energy barrier and accelerating kinetics to increase discharge voltage and specific capacity. Meanwhile, the yolk–shell S@C structure with spatially confined S nanoparticle yolks is beneficial to improve charge transfer and lower activation energy, thus further expediting SRR kinetics. Furthermore, extensive density functional theory (DFT) calculations reveal that S and N dual‐doping can thermodynamically and dynamically reduce the energy barrier of rate‐determining step (i.e., the transformation of *ZnS4 into *ZnS2) for the overall SRR, thereby significantly accelerating SRR kinetics.

Synergistic Electrocatalysis and Spatial Nanoconfinement to Accelerate Sulfur Conversion Kinetics in Aqueous Zn-S Battery.

Aqueous zinc batteries based on the conversion-type sulfur cathodes are promising in energy storage system due to the high theoretical energy density, low cost, and good safety. However, the multi-electron solid-state intermediate conversion reaction of sulfur cathodes generally possess sluggish kinetics, which leads to lower discharge voltage and inefficient sulfur utilization, thus suppressing the practical energy density. Herein, sulfur nanoparticles derived from metal-organic frameworks confined in situ within electrospun fibers derived sulfur and nitrogen co-doped carbon nanofibers (S@S,N-CNF) composite, which possesses yolk-shell S@C nanostructure, is fabricated through successive sulfidation, pyrolysis, and sulfide oxidation processes, and served as a high-performance cathode material for Zn-S battery. The S and N dopants on carbon can collectively catalyse sulfur reduction reaction (SRR) by lowering energy barrier and accelerating kinetics to increase discharge voltage and specific capacity. Meanwhile, the yolk-shell S@C structure with spatially confined S nanoparticle yolks is beneficial to improve charge transfer and lower activation energy, thus further expediting SRR kinetics. Furthermore, extensive density functional theory (DFT) calculations reveal that S and N dual-doping can thermodynamically and dynamically reduce the energy barrier of rate-determining step (i.e., the transformation of *ZnS4 into *ZnS2) for the overall SRR, thereby significantly accelerating SRR kinetics.

Jeffamine-based diblock copolymer nanoparticles via reverse sequence polymerization-induced self-assembly in aqueous media

Jeffamines® are commercially available amine-capped poly (alkylene oxides) that have been used for various applications. In this study, a weakly hydrophobic monoamine-capped propylene oxide-rich Jeffamine® (M2005) is derivatized to introduce a trithiocarbonate end-group via amidation. This precursor is then dissolved using N,N′-dimethylacrylamide (DMAC), 2-(N-acryloyloxy)ethyl pyrrolidone (NAEP) or N-acryloylmorpholine (NAM) as a co-solvent to produce a concentrated aqueous reaction mixture containing 20 % w/w water. Subsequently, reversible addition-fragmentation chain transfer (RAFT) polymerization is used to prepare Jeffamine®-core diblock copolymer nanoparticles by reverse sequence polymerization-induced self-assembly (PISA). At intermediate conversion, additional degassed water is added and each polymerization continues to almost full conversion (>99 %) within 4 h at 60 °C, resulting in a 10–20 % w/w aqueous dispersion of sterically-stabilized Jeffamine®-core nanoparticles. Efficient chain extension of the Jeffamine® precursor is achieved in most cases and relatively narrow molecular weight distributions are obtained (Mw/Mn < 1.30) as judged by GPC analysis. Transmission electron microscopy studies confirm a polydisperse spherical morphology and dynamic light scattering studies report hydrodynamic diameters ranging from 145 to 312 nm. Finally, aqueous electrophoresis studies indicate essentially neutral nanoparticles over a wide range of solution pH, as expected for the three types of non-ionic steric stabilizer chains selected for this study.

Steering Photooxidation of Methane to Formic Acid over A Priori Screened Supported Catalysts.

Efficient methane photooxidation to formic acid (HCOOH) has emerged as a sustainable approach to simultaneously generate value-added chemicals and harness renewable energy. However, the persistent challenge lies in achieving a high yield and selectivity for HCOOH formation, primarily due to the complexities associated with modulating intermediate conversion and desorption after methane activation. In this study, we employ first-principles calculations as a comprehensive guiding tool and discover that by precisely controlling the O2 activation process on noble metal cocatalysts and the adsorption strength of carbon-containing intermediates on metal oxide supports, one can finely tune the selectivity of methane photooxidation products. Specifically, a bifunctional catalyst comprising Pd nanoparticles and monoclinic WO3 (Pd/WO3) would possess optimal O2 activation kinetics and an intermediate oxidation/desorption barrier, thereby promoting HCOOH formation. As evidenced by experiments, the Pd/WO3 catalyst achieves an exceptional HCOOH yield of 4.67 mmol gcat-1 h-1 with a high selectivity of 62% under full-spectrum light irradiation at room temperature using molecular O2. Notably, these results significantly outperform the state-of-the-art photocatalytic systems operated under identical condition.

Intelligent Cell Profiling and Precision Release: Multimolecular Marker-Activated Transmembrane DNA Computing Nanosystem.

Accurate classification of tumor cells is of importance for cancer diagnosis and further therapy. In this study, we develop multimolecular marker-activated transmembrane DNA computing systems (MTD). Employing the cell membrane as a native gate, the MTD system enables direct signal output following simple spatial events of "transmembrane" and "in-cell target encounter", bypassing the need of multistep signal conversion. The MTD system comprises two intelligent nanorobots capable of independently sensing three molecular markers (MUC1, EpCAM, and miR-21), resulting in comprehensive analysis. Our AND-AND logic-gated system (MTDAND-AND) demonstrates exceptional specificity, allowing targeted release of drug-DNA specifically in MCF-7 cells. Furthermore, the transformed OR-AND logic-gated system (MTDOR-AND) exhibits broader adaptability, facilitating the release of drug-DNA in three positive cancer cell lines (MCF-7, HeLa, and HepG2). Importantly, MTDAND-AND and MTDOR-AND, while possessing distinct personalized therapeutic potential, share the ability of outputting three imaging signals without any intermediate conversion steps. This feature ensures precise classification cross diverse cells (MCF-7, HeLa, HepG2, and MCF-10A), even in mixed populations. This study provides a straightforward yet effective solution to augment the versatility and precision of DNA computing systems, advancing their potential applications in biomedical diagnostic and therapeutic research.

Triple active bridge converter in nanogrid applications: A direct interface for photovoltaic modules and storage

AbstractEnvironmental issues and the global need to increase economically sustainable access to electricity addressed and boosted scientific research and use of Distributed Energy Resources, such as solar Photovoltaic (PV). Multi‐port power converters can be of great interest for a compact and efficient interface between PV, storage units, and DC loads. The Triple Active Bridge (TAB) shows interesting advantages in terms of isolation and Zero Voltage Switching capabilities over wide load and input voltage ranges. This work aims to develop a TAB prototype for a NanoGrid (NG) application, analyzing the possibility of a direct interface of PV modules, storage units, and DC loads, without the use of intermediate conversion stages. The TAB prototype uses Gallium Nitride devices, and an evaluation of the overall efficiency is provided, useful to compare with other isolated three‐port converters. Through an analytical approach, a TAB has been sized and optimized to meet specific application requirements. MATLAB/Simulink simulations have been done for the sizing validation and the control strategy design. A prototype has been developed and experimental measurements have been compared with simulation results. The TAB is proposed as a key element of DC NGs, but applications of interest are also automotive, More Electric Aircraft, and naval applications.

Ensuring uniformity of measurements in the European Metrology Cloud

The main requirements for the calibration of measuring channels of distributed measuring instruments at the operation site are described. When preparing for calibration, the use of portable discharge working measurement standards, which consist of a reference voltage source and a divider, is substantiated. The proposed structure of the device for calibration is based on a divider of single-nominal resistors and corresponding algorithms for processing the conversion results. The feasibility of using a divider in which the resistors are closed in a ring is substantiated. To ensure the invariance to residual parameters of switching elements when implementing several evenly spaced calibration points in the conversion range, a potential-current switching of both the input reference voltage and the output converted voltage is proposed. In addition, a method to correct the equivalent additive error component of the entire measuring channel during its calibration is proposed. The expediency of the studied measuring channels to obtain intermediate conversion results is shown. An algorithm and method of processing intermediate conversion results to obtain code values at all calibration points are proposed. To process these results, it is advisable to apply an additional software in the European Metrology Cloud. It is shown that the calibration error of the measuring channels at the operation site is determined by the error of the reference voltage source.

Tracking methanol oxidation reaction from OH* as guiding agent

The oxidation reaction of methanol (MOR) involves complex intermediate processes, making it difficult to pinpoint the key steps controlling the reaction rate. Although current mechanistic studies encompass various aspects of the MOR process, the lack of an overall consideration of the entire MOR process hinders the effective guidance of catalyst design. In this regard, based on the functional reaction mechanism between OH* and carbon intermediates, we have discovered that OH* as a guiding agent track the oxidation of methanol on the catalyst surface during the MOR process in the alkaline environment. Inspired by the perspective, we rationally design the electrocatalyst (Pt-Cu alloy). Experimental result and density functional theory (DFT) validation revealed that Pt-Cu alloy had strong capabilities for carbon intermediate conversion, meanwhile it possessed lower OH* coverage within a wider potential range. This work makes the MOR process more concrete and coherent transport-conversion mechanism in front of researchers.

Gasification of solid biomass or fast pyrolysis bio‐oil: Comparative energy and exergy analyses using AspenPlus®

AbstractThe conversion of biomass residues into syngas through gasification is attractive for energy and process industry applications. However, transportation, storage, and operational challenges limit the conventional direct solid biomass gasification process. To address these issues, the intermediate conversion of biomass to bio‐oil has emerged as a promising alternative. Bio‐oil offers improved transport and storage capabilities due to its higher mass and energy density, enabling the decoupling of solid biomass supply and syngas demand. This study compares two routes for syngas production: direct gasification of solid biomass and indirect gasification using bio‐oil from biomass pyrolysis as an intermediate with biochar and pyrolysis gas supplying thermal energy to the pyrolysis stage. Biochar combustion provides about 1.4 MJ kg−1 of dry biomass to maintain the pyrolysis temperature at 480°C. Using AspenPlus® simulations, the composition and Low Heating Value of the syngas produced by both routes are analyzed. Energy and exergy analysis at different equivalence ratios and temperatures revealed that direct gasification has higher efficiencies than indirect gasification. At 1000°C and an equivalence ratio of 0.4, the highest energy and exergy efficiencies occurred in direct gasification processes. The energy efficiency of direct and indirect gasification amounted to 62% and 53%, respectively. At the same time, the corresponding exergy efficiencies were 65% and 61%. The syngas of direct and indirect gasification processes is a starting point to produce energy, synthetic fuels, and chemicals; this study provides insights for designing and optimizing biomass gasification processes.

MOF-derived Co3O4/ZrO2 mesoporous octahedrons with optimized charge transfer and intermediate conversion for efficient CO2 photoreduction

MOF-derived Co3O4/ZrO2 mesoporous octahedrons with optimized charge transfer and intermediate conversion for efficient CO2 photoreduction

Intermediate Phase Modification Enables High‐Performance Iodine‐Rich Inorganic Perovskite Solar Cells with 3000‐Hour Stability

AbstractThe presence of excess secondary‐phase PbI2 in perovskite films shows a negative impact on their long‐term stability. Herein, an intermediate phase modification (IPM) strategy is proposed to eliminate residual PbI2 for improved quality of all‐inorganic CsPbI3‐type perovskite films, wherein the extrinsic agent is introduced to address the intermediate phase. By transforming residual PbI2 into a novel 1D perovskite phase, the IPM strategy acts as a patch to suture grain boundaries in the inorganic perovskite films. In addition, the IPM strategy not only enhances the quality of perovskite films but also mitigates energy disorder, reduces trap state density, and prolongs carrier lifetime by expediting the intermediate phase conversion process and passivating surface defects. As such, the perovskite solar cells (PSCs) with a high power conversion efficiency (PCE) of ≈20% and a high fill factor of 83.3% are considered to be very efficient, with excellent shelf stability of 3000 h of exposure in air without any encapsulation. This work not only exhibits a novel optimization route for inorganic perovskite but also emphasizes the crucial role of eliminating residual PbI2 in inorganic perovskites.

Effect of ultrasonic shot peening and intermediate cerium salt conversion bath treatment controlling corrosion of Mg-Y-Zn-based alloy in salt water

Ultrasonic shot peening (USP) is often regarded as beneficial in mitigating corrosion of Mg alloys. However, increasing surface roughness induced by USP promotes localized corrosion pitting. Herein, we show that an intermediate phosphate bath treatment (CePT) before USP can minimize the surface roughness and ameliorate corrosion resistance of Mg-4.0Y-4.0Zn-0.5Zr-0.2Ca alloy (wt.%) in 0.1 M NaClsolution. In this regard, WZ44 alloy was subjected to Ce(NO3)3 + NaH2PO4bath treatment followed by USP for 30 s using AISI52100 steel balls and vice versa. The sub-surface features ofspecimens analyzed using XRD, FESEM, surface topography, and Vickers hardness reveal that CePT coating before USP increases microhardness (∼142–149 HV0.05 vs ∼ 125–135 HV0.05) and decreases surface roughness (Ra = 1.91–2.38 μm vs Ra = 2.58–2.76 μm). Potentiodynamic polarizationand electrochemical impedance spectroscopy demonstrate that corrosion current decreased (Icorr ∼ 9.81–13.69 µA/cm2 vs. ∼ 23.82–26.22 µA/cm2), coating (R1), and polarization resistance (R2) increased to ∼ 1704–1907 Ω.cm2,and ∼ 1834–1902 Ω.cm2, respectively,for specimens subjected to USP + CePT treatment together indicating superior corrosion resistance.Overall, an intermediate CePT before USP can effectively minimize corrosion pitting phenomena of WZ44 alloy in chlorinated solution by developing a ceramic coating interlocked with surface acting as a barrier between the metal/solution interface.

Pre-optimization and one-step preparation of cascade enzymes system with broad substrates by model guidance: Application of chiral L-norvaline and L-phenylglycine biosynthesis

Cascade biocatalyst systems with catalytic promiscuity can be used for synthesis of a class of chiral chemicals but the optimization of these systems by model guidance is poorly explored. In this study, a cascade system with broad substrate spectrum was characterized and simulated by kinetic model with substrates of DL-Norvaline (DL-Nor) and DL-Phenylglycine (DL-Phg) as examples. To evaluate the optimal cascade system, maximum accumulation of intermediate products and conversion rate in the process were investigated by simultaneous solution of the rate equations for varying enzyme quantities. According to the simulation results, the cascade system was optimized by regulating the expression of D-amino acid oxidase and formate dehydrogenase and was prepared by one-step. The conversion efficiency of DL-Nor and DL-Phg have been significantly improved compared with that of before optimization. Moreover, the total of L-Nor and L-Phg were reached 498.2 mM and 79.5 mM through a gradient fed-batch conversion strategy, respectively.

Numerical Simulation and Analysis of Hydraulic Turbines Based on BIM for Sustainable Development

Hydropower is considered to be an important way to achieve the sustainable development goal of human progress. The performance of turbines is very important to the safety and stability of hydropower stations. Most of the hydraulic turbine performance studies only use Computational Fluid Dynamics (CFD) for performance simulation, lacking the integration of Building Information Modeling (BIM) technology and CFD. Therefore, a performance analysis model of a Francis turbine based on BIM was put forward in this paper. The BIM software OpenBuildings Designer CONNECT Edition Update 10 was used to build the hydraulic turbine model, and then the BIM model was transferred to the CFD numerical simulation platform ANSYS through the intermediate format conversion. In the ANSYS environment, the numerical simulation of different working conditions was carried out with the help of Fluent 2021 R1 software. The numerical simulation results show that the fluid velocity gradient in the volute was 2~3 m/s under the three working conditions, which was relatively stable. The water flow could progress the guide vane mechanism at a higher speed, and the drainage effect of the volute was better. There were some negative pressure areas at the back of the runner blades and the inlet of draft tube, and the negative pressure value was as high as −420,000 Pa and −436,842 Pa under maximum head conditions, which were prone to cavitation erosion. It is proven that BIM supported the hydraulic turbine performance analysis and provided a geometric information model for hydraulic turbine CFD numerical simulation, meaning that the performance analysis model based on BIM is feasible. This study can expand the application value of BIM and provide guidance for the study of hydraulic turbine numerical simulation using BIM technology in combination with CFD methods.