Data-based real-time petrochemical gas diffusion simulation approach on virtual reality

Background Petrochemical products possess a high risk of flammability,explosivity,and toxicity,making petrochemical accidents exceedingly destructive.Therefore,disaster analysis,prediction,and real-time simulations have become important means of controlling and reducing accident hazards.Methods This study proposes a complete real-time simulation solution of gas diffusion with coordinate and concentration data,which was mainly aimed at simulating the types of harmful gas leakage and diffusion accidents in the petrochemical industry.The rendering effect was more continuous and accurate through grid homogenization and trilinear interpolation.This study presents a data processing and rendering parallelization process to enhance simulation efficiency.Gas concentration and fragment transparency were combined to synthesize transparent pixels in a scene.To ensure the approximate accuracy of the rendering effect,improve the efficiency of real-time rendering,and meet the requirement of intuitive perception using concentration data,a weighted blended order-independent transparency(OIT)with enhanced alpha weight is presented,which can provide a more intuitive perception of the hierarchical information of concentration data while preserving depth information.This study compares and analyzes three OIT algorithms-depth peeling,weighted blended OIT,and weighted blended OIT with enhanced alpha weight-in terms of rendering image quality,rendering time,required memory,and hierarchical information.Results Using weighted blended OIT with an enhanced alpha weight technique,the rendering time was shortened by 53.2%compared with that of the depth peeling algorithm,and the texture memory required was significantly smaller than that of the depth peeling algorithm.The rendering results of weighted blended OIT with an enhanced alpha weight were approximately accurate compared with those of the depth peeling algorithm as the ground truth,and there was no popping when surfaces passed through one another.Simultaneously,compared with weighted blended OIT,weighted blended OIT with an enhanced alpha weight achieved an intuitive perception of the hierarchical information of concentration data.

Numerical simulation to evaluate gas diffusion of turbulent flow in mine ventilation system

Tracer gas technique is a method to analyze the airflow path, measure the airflow quantity, and detect any recirculation or leakages in underground mine. In addition, it is also possible to evaluate the axial gas diffusion of gas in turbulent bulk flow by utilizing the tracer gas data. This paper discussed about the measurement using tracer gas technique in Cibaliung Underground Mine, Indonesia and the evaluation of effective axial diffusion coefficient, E, by numerical simulation. In addition, a scheme to treat network flow in mine ventilation system was also proposed. The effective axial diffusion coefficient for each airway was evaluated based on Taylor's theoretical equation. It is found that the evaluated diffusion coefficient agrees well with Taylor's equation by considering that the wall friction factor, f, is higher than those for smooth pipe flow. It also shows that the value of effective diffusion coefficient can be inherently determined and the value is constant when matching with other measurements. Furthermore, there are possibilities to utilize the tracer gas measurement data to evaluate the airway friction factors.

Experimental Investigation and Numerical Simulation on Interfacial Carbon Diffusion of Diamond Tool and Ferrous Metals

We numerically simulated and experimentally studied the interfacialcarbon diffusion between diamond tooland workpiece materials.A diffusion modelwith respect to carbon atoms of diamond toolpenetrating into chips and machined surface was established.The numericalsimulation results of the diffusion process revealthat the distribution laws of carbon atoms concentration have a close relationship with the diffusion distance,the diffusion time,and the originalcarbon concentration of the work material.In addition,diamond face cutting tests of die steels with different carbon content are conducted at different depth of cuts and feed rates to verify the previous simulation results.The micro-morphology of the chips is detected by scanning electron microscopy.Energy dispersive X-ray analysis was proposed to investigate the change in carbon content of the chips surface.The experimentalresults of this work are of benefit to a better understanding on the diffusion wear mechanism in single crystaldiamond cutting of ferrous metals.Moreover,the experimentalresults show that the diffusion wear of diamond could be reduced markedly by applying ultrasonic vibration to the cutting toolcompared with conventionalturning.

Simulation of hydrogen diffusion in welded joint of X80 pipeline steel

Hydrogen diffusion coefficients of different regions in the welded joint of X80 pipeline steel were measured using the electro-chemical permeation technique. Using ABAQUS software, hydrogen diffusion in X80 pipeline steel welded joint was studied in consideration of the inhomogeneity of the welding zone, and temperature-dependent thermo-physical and mechanical properties of the metals. A three dimensional finite element model was developed and a coupled thermo-mechanical-diffusion analysis was performed. Hydrogen concentration distribution across the welded joint was obtained. It is found that the postweld residual hydrogen exhibits a non-uniform distribution across the welded joint. A maximum equivalent stress occurs in the immediate vicinity of the weld metal. The heat affected zone has the highest hydrogen concentration level, followed by the weld zone and the base metal.Simulation results are well consistent with theoretical analysis.

A Reynolds mass flux model for gas separation process simulation:Ⅱ.Application to adsorption on activated carbon in a packed column

Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.

Analysis of flowout gas field simulations and ignition methods for sulphuric gas wells

To avoid potential human casualties and environmental pollution,flowout gas from sulphuric gas wells showing high concentrations of volatile gas must be neutralized by controlled ignition.Simulation model is built by using CFD software for flowout gas,and ignition methods are analyzed.The simulation results indicate that the optimal ignition zone is located between 150mm and 570mm above the gas flowout device.Two ignition methods,electronical and chemical,are developed.12 and 6 experimental tests are performed respectively for these two methods.Results from the above tests verify that both approaches are successful in igniting the gas promptly and safely.In addition,our experience proves that the former way is more suitable for the fixed position ignition case,while the latter is more suitable for the long-distance or emergent ignition case.These two approaches can potentially be applied to a wide range of situations other than the fixed position ignition case and long distance ignition case.

Molecular dynamics simulation of diffusion of nanoparticles in mucus

The rapid diffusion of nanoparticles （NPs） through mucus layer is critical for efficient transportation of NPs-loaded drug delivery system. To understand how the physical and surface properties of NPs affect their diffusion in mucus, we have developed a coarse-grained molecular dynamics model to study the diffusion of NPs in modeled mucus layer. Both steric obstruction and hydrodynamic interaction are included in the model capable of capturing the key characteristics of NPs＇ diffusion in mucus. The results show that both particle size and surface properties significantly affect the diffusivities of NPs in mucus. Furthermore, we find rodlike NPs can gain a higher diffusivity than spherical NPs with the same hydrodynamic diameter. In addition, the disturbed environment can enhance the diffusivity of NPs. Our findings can be utilized to design mucus penetrating NPs for targeted drug delivery system.

NUMERICAL SIMULATION OF TURBULENT DIFFUSION OVER A COMPLEX TERRAIN

A set of hydrostatic atmospheric thermodynamic equations and diffusion equation are solved numerically to simulate the flow,temperature and concentration fields over the Fenhe River Valley,Shanxi Province. The results are compared with the data observed in a tracer experiment carried out in February of 1984. The concentration distributions are calculated by three approaches:ordinary grid numerical model,nested grid model and Gaussian model.The comparison shows that the nested grid model gives the best results and needs only a little more computer time.

Development of a computational tool for materials design

An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.