Chemical simulation teaching system based on virtual reality and gesture interaction

Background Most existing chemical experiment teaching systems lack solid immersive experiences,making it difficult to engage students.To address these challenges,we propose a chemical simulation teaching system based on virtual reality and gesture interaction.Methods The parameters of the models were obtained through actual investigation,whereby Blender and 3DS MAX were used to model and import these parameters into a physics engine.By establishing an interface for the physics engine,gesture interaction hardware,and virtual reality(VR)helmet,a highly realistic chemical experiment environment was created.Using code script logic,particle systems,as well as other systems,chemical phenomena were simulated.Furthermore,we created an online teaching platform using streaming media and databases to address the problems of distance teaching.Results The proposed system was evaluated against two mainstream products in the market.In the experiments,the proposed system outperformed the other products in terms of fidelity and practicality.Conclusions The proposed system which offers realistic simulations and practicability,can help improve the high school chemistry experimental education.

Construction of a Virtual Simulation Practice Teaching System of the Chemical Industry Under the Background of Integration of Production and Education

With the development of the integration of production and education,chemical engineering and technology education is facing many new challenges and opportunities.The construction of a chemical virtual simulation practice teaching system under the background of integration of production and education aims to improve students’learning efficiency and innovation ability with the help of virtual simulation technology,so as to meet the needs of future industrial development.This paper discusses the significance of the construction of the system,analyzes the difficulties and challenges that may be encountered in the construction process,and evaluates the effective strategies to strengthen the construction of the system.Through the introduction of virtual simulation technology,students can improve their practical skills and innovation ability,and better adapt to the development needs of industrialization and informatization.

Computational Mass Transfer Method for Chemical Process Simulation

The recent works on the development of computational mass transfer （CMT） method and its applications in chemical process simulation are reviewed. Some development strategies and challenges in future research are also discussed.

Automatic HAZOP analysis method for unsteady operation in chemical based on qualitative simulation and inference

Comparing with continuous production process, unsteady operation process, such as startup and shutdown,tends to abnormal situations due to a large number of operations of operators and dynamic state changes involved. To guarantee a safe operation, process hazard analysis(PHA) is very important to proactively identify the potential safety problems. In the chemical process industry, hazard and operability(HAZOP) analysis is the most widely used method. In this paper, based on proposed qualitative simulation and inference method, an automatic HAZOP analysis method for unsteady operation processes is proposed. Mass transfer and relationships among process variables are expressed by Petri net–directed graph model based fuzzy logic. Operating procedure is expressed according to a formal expression. Possible operation deviations from normal operating procedure are identified by using a group of guidewords. Hazards are identified automatically by qualitative simulation and inference when wrong operation process is performed. The method is validated by a rectification column system.

DYNAMIC MATHEMATICAL MODEL OF CHEMICAL COMPOSITION FOR MELTED IRON IN CUPOLA AND MICROCOMPUTER SIMULATION

Sequential melting theory is applied to reteal that fluctuation of chemical composition ofmelted iron in cupola is caused by the process of sequential melting. Fluctuation is incvitable andcyclc. Usting microcornputer dynamic simulation has confirmed that the fluctuation situation ofchemical composition cf melted iron is contistent with actuaa production on the whole.

Solvation of halogen ions in aqueous solutions at 500 K–600 K under 100 atm

Structural properties of the pure water and halogen solutions at high temperatures and pressures are studied by using the molecular dynamics simulations and quantum molecular simulations. The related characters are calculated as functions of temperature and pressure. The results show that the hydrogen bonded networks become looser as temperature increases,with the collapse of the traditional tetrahedral structure. It is similar to the concentration-dependent collapse in the Na Cl solutions. However, adding other halogen elements has no further effects on the already weakly bonded water molecules.At the phase changing points, the process of hydration is evident for the bigger ions, so that the bigger the ion is, the smaller a cluster is formed.

Modeling and simulation of chemically reacting flows in gas-solid catalytic and non-catalytic processes

This paper gives an overview of the recent development of modeling and simulation of chemically react- ing flows in gas-solid catalytic and non-catalytic processes. General methodology has been focused on the Eulerian-Lagrangian description of particulate flows, where the particles behave as the catalysts or the reactant materials. For the strong interaction between the transport phenomena （i.e., momentum, heat and mass transfer） and the chemical reactions at the particle scale, a cross-scale modeling approach, i.e., CFD-DEM or CFD-DPM, is established for describing a wide variety of complex reacting flows in multiphase reactors, Representative processes, including fluid catalytic cracking （FCC）, catalytic conversion of syngas to methane, and coal pyrolysis to acetylene in thermal plasma, are chosen as case studies to demonstrate the unique advantages of the theoretical scheme based on the integrated particle-scale information with clear physical meanings, This type of modeling approach provides a solid basis for understanding the multiphase reacting flow problems in general.

Modeling and simulation of circulating fluidized bed reactors applied to a carbonation/calcination loop

A fluid dynamic model for a gas-solid circulating fluidized bed （CFB） designed using two coupled riser reactors is developed and implemented numerically with code programmed in Matlab. The fluid dynamic model contains heat and species mass balances to calculate temperatures and compositions for a carbonation/calcination loop process. Because of the high computational costs required to resolve the three-dimensional phenomena, a model representing a trade-offbetween computational time requirements and accuracy is developed. For dynamic processes with a solid flux between the two reactor units that depends on the fluid dynamics of both risers, a dynamic one-dimensional two-fluid model is sufficient. A two-fluid model using the constant particle viscosity closure for the stress term is used for the solid phase, and an algebraic turbulence model is applied to the gas phase. The numerical model implementa- tion is based on the finite volume method with a staggered grid scheme. The exchange of solids between the reactor units constituting the circulating fluidized bed （solid flux） is implemented through additional mass source/sink terms in the continuity equations of the two phases, For model validation, a relevant experimental analysis provided in the literature is reproduced by the numerical simulations, The numerical analysis indicates that sufficient heat integration between the two reactor units is important for the performance of the circulating fluidized bed system, The two-fluid model performs fairly well for this chemical process operated in a CFB designed as two coupled riser reactors. Further analysis and optimization of the solution algorithms and the reactor coupling strategy is warranted.

Aggregation of Glycerol Induced by Carbon Nanotubes in Aqueous Solution and Its Influencing Factors

Carbon nanotubes（CNTs） have received wide application and investigation because of their unique electronic, chemical and mechanical properties. But the self-aggregation of CNTs limits their practical application and study. In order to disperse CNTs effectively, polymers, such as polyglycerol and its derivatives, are adopted as dispersants in view of their strong interaction with CNTs. In order to understand the interaction between CNTs and glycerol in water in detail, a series of simulations has been conducted to investigate the interaction between them and analyze the influences of CNTs diameter and temperature. All the analyses indicate that the glycerol molecules are prone to aggregate around CNTs with the addition of CNTs. This is mainly due to hydrophobic interaction. It is confirmed that this aggregation is influenced by CNTs diameter and the temperature to some degree. This work will establish the basis for the exploration of polyglycerol and its derivatives interacting with CNTs and provide an invaluable guide to seek for emergent dispersants for CNTs.

A reduced combustion kinetic model for the methanol-gasoline blended fuels on SI engines.

A reduced combustion kinetic model for the methanol-gasoline blended fuels for SI engines was developed. Sensitivity analysis and rate constant variation methods were used to optimize the kinetic model. Flame propagation, shock-tube and jet-stirred reactor systems were modeled in CHEMKIN. The laminar flame speed, ignition delay time and change in concentrations of species were simulated using the reduced kinetic model. The simulation results of reduced chemical mechanism agreed well with the relevant experimental data published in the literature. The experimental investigations on engine bench were also carried out. The in-cylinder pressure and exhaust emissions were obtained by using a combustion analyzer and an FTIR(Fourier transform infrared spectroscopy) spectrometer. Meanwhile, an engine in-cylinder CFD model was established in AVL FIRE and was coupled with the proposed reduced chemical mechanism to simulate the combustion process of methanol-gasoline blends. The simulated combustion process showed good agreement with the engine experimental results and the predicted emissions were found to be in accordance with the FTIR results.