Photolithography Process Simulation for Integrated Circuits and Microelectromechanical System Fabrication

Simulations of photoresist etching,aerial image,exposure,and post-bake processes are integrated to obtain a photolithography process simulation for microelectromechanical system（MEMS） and integrated circuit（IC） fabrication based on three-dimensional （3D） cellular automata（CA）. The simulation results agree well with available experimental results. This indicates that the 3D dynamic CA model for the photoresist etching simulation and the 3D CA model for the post-bake simulation could be useful for the monolithic simulation of various lithography processes. This is determined to be useful for the device-sized fabrication process simulation of IC and MEMS.

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.

Process simulation and optimization of flow field in wet electrostatic precipitator

To improve the dust removal performance of the wet electrostatic precipitator(WESP), a flow field optimization scheme was proposed via CFD simulation in different scales. The simplified models of perforated and collection plates were determined firstly. Then the model parameters for the resistance of perforated and collection plates, obtained by small-scale flow simulation, were validated by medium-scale experiments. Through the comparison of the resistance and velocity distribution between simulation results and experimental data, the simplified model is proved to present the resistance characteristics of perforated and collection plates accurately. Numerical results show that after optimization, both the flow rate and the pressure drop in the upper room of electric field regions are basically equivalent to those of the lower room, and the velocity distribution in flue inlet of WESP becomes more uniform. Through the application in practice, the effectiveness and reliability of the optimization scheme are proved, which can provide valuable reference for further optimization of WESP.

Flue gas analysis for biomass and coal co‑fring in fuidized bed:process simulation and validation

Coal-conversion technologies,although used ubiquitously,are often discredited due to high pollutant emissions,thereby emphasizing a dire need to optimize the combustion process.The co-fring of coal/biomass in a fuidized bed reactor has been an efcient way to optimize the pollutants emission.Herein,a new model has been designed in Aspen Plus®to simultaneously include detailed reaction kinetics,volatile compositions,tar combustion,and hydrodynamics of the reactor.Validation of the process model was done with variations in the fuel including high-sulfur Spanish lignite,high-ash Ekibastuz coal,wood pellets,and locally collected municipal solid waste(MSW)and the temperature ranging from 1073 to 1223 K.The composition of the exhaust gases,namely,CO/CO_(2)/NO/SO_(2)were determined from the model to be within 2%of the experimental observations.Co-combustion of local MSW with Ekibastuz coal had fue gas composition ranging from 1000 to 5000 ppm of CO,16.2%–17.2%of CO_(2),200–550 ppm of NO,and 130–210 ppm of SO_(2).A sensitivity analysis on co-fring of local biomass and Ekibastuz coal demonstrated the optimal operating temperature for fuidized bed reactor at 1148 K with the recommended biomass-to-coal ratio is 1/4,leading to minimum emissions of CO,NO,and SO_(2).

Machine learning-based ionic liquids design and process simulation for CO_(2) separation from flue gas

Rational design of ionic liquids(ILs),which is highly dependent on the accuracy of the model used,has always been crucial for CO_(2)separation from flue gas.In this study,a support vector machine(SVM)model which is a machine learning approach is established,so as to improve the prediction accuracy and range of IL melting points.Based on IL melting points data with 600 training data and 168 testing data,the estimated average absolute relative deviations(AARD)and squared correlation coefficients(R^(2))are 3.11%,0.8820 and 5.12%,0.8542 for the training set and testing set of the SVM model,respectively.Then,through the melting points model and other rational design processes including conductor-like screening model for real solvents(COSMO-RS)calculation and physical property constraints,cyano-based ILs are obtained,in which tetracyanoborate[TCB]-is often ruled out due to incorrect estimation of melting points model in the literature.Subsequently,by means of process simulation using Aspen Plus,optimal IL are compared with excellent IL reported in the literature.Finally,1-ethyl-3-methylimidazolium tricyanomethanide[EMIM][TCM]is selected as a most suitable solvent for CO_(2)separation from flue gas,the process of which leads to 12.9%savings on total annualized cost compared to that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide[EMIM][Tf_(2)N].

Hierarchy-Based Team Software Process Simulation Model

According to the characteristic of Team Software Process （TSP）, it adopts a hierarchy-based model combined discrete event model with system dynamics model. This model represents TSP as form of two levels, the inner level embodies the continuity of the software process, the outer embodies the software development process by phases, and the structure and principle of the model is explained in detail, then formalization description of the model is offered. At last, an example is presented to demonstrate the simulation process and result. This model can simulate team software process from various angles, supervise and predict the software process. Also it can make the management of software development become more scientific and improve the quality of software.

Intensification of Ethylene Production from Naphtha via a Redox Oxy-Cracking Scheme： Process Simulations and Analysis

Ethylene production by the thermal cracking of naphtha is an energy-intensive process （up to 40 GJ heat per tonne ethylene）, leading to significant formation of coke and nitrogen oxide （NOx）, along with 1,8- 2 kg of carbon dioxide （CO2） emission per kilogram of ethylene produced, We propose an alternative pro- cess for the redox oxy-cracking （ROC） of naphtha, In this two-step process, hydrogen （H2） from naphtha cracking is selectively comhusted by a redox catalyst with its lattice oxygen first, The redox catalyst is subsequently re-oxidized by air and releases heat, which is used to satisfy the heat requirement for the cracking reactions, This intensified process reduces parasitic energy consumption and CO2 and NOx emissions, Moreover, the formation of ethylene and propylene can he enhanced due to the selective com-bustion of H2, In this study, the ROC process is simulated with ASPEN Plus^R based on experimental data from recently developed redox catalysts, Compared with traditional naphtha cracking, the ROC process can provide up to 52% reduction in energy consumption and CO2 emissions, The upstream section of the process consumes approximately 67% less energy while producing 28% more ethylene and propylene for every kilogram of naphtha feedstock,

Vapor-Liquid Equilibrium of Ethylene ＋ Mesitylene System and Process Simulation for Ethylene Recovery

The amount of ethylene in refinery off-gas is high with a mass fraction of 20%,but the refinery off-gas is usually used as fuel gas in most refineries.The separation and recovery of ethylene is of remarkable significance for saving energy and reducing carbon dioxide emission.The aim of this paper is to use a novel absorbent mesitylene for the ethylene absorption process and assess its application feasibility through the ethylene + mesitylene vapor-liquid equilibrium data measurement and its binary interaction parameter correlation,as well as the simulation for ethylene separation process.

Process simulation and analysis of carbon capture with an aqueous mixture of ionic liquid and monoethanolamine solvent

This study investigated the prospect of using aqueous mixture of 1-butylpyridinium tetrafluoroborate （[Bpy][BF4]） ionic liquid （IL） and monoethanolamine （MEA） as solvent in post-combustion CO2 capture （PCC） process. This is done by analysis of the process through modelling and simulation. In literature, reported PCC models with a mixture of IL and MEA solvent were developed using equilibrium-based mass transfer approach. In contrast, the model in this study is developed using rate-based mass transfer approach in Aspen Plus. From the results, the mixed aqueous solvent with 5-30 wt% IL and 30 wt% MEA showed 7%-9% and 12%-27% less specific regeneration energy and solvent circulation rate respectively compared to commonly used 30 wt% MEA solvent. It is concluded that the ｜L concentration （wt%） in the solvent blend have significant impact on specific regeneration energy and solvent circulation rate. This study is a starting point for further research on technical and economic analysis of PCC process with aqueous blend of IL and MEA as solvent.

基于Process Simulation的机器人装配工位的应用研究

为了减少机器人装配工位的调试时间和生产成本,利用Process Simulation对机器人整个装配过程进行仿真模拟,通过仿真实现了机器人每个路径点的动态模拟,优化了机器人的运动路径,验证了工位的生产节拍,使工艺流程和路径规划更加准确、快速。

Phase equilibrium data prediction and process optimizationin butadiene extraction process

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

Modeling and analysis of air combustion and steam regeneration in methanol to olefins processes

Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However,the catalyst deactivation is an inevitable feature in MTO processes,and regeneration,therefore,is one of the key steps in industrial MTO processes.Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion,which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency.Recent study shows that the coke species over MTO catalyst can be regenerated via steam,which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas,is a promising pathway for further MTO processes development.In this work,we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics.As shown,the steam regeneration could achieve a carbon utilization efficiency of 84.31%,compared to 74.74%for air combustion regeneration.The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission.In addition,light olefins production of the MTO processes using steam regeneration is 12.81%higher than that using air combustion regeneration.In this regard,steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes,showing not only great environmental benefits but also competitive economic performance.

Simulation Research on the Effect of Spreading Process Parameters on the Quality of Lunar Regolith Powder Bed in Additive Manufacturing

Lunar surface additive manufacturing with lunar regolith is a key step in in-situ resource utilization.The powder spreading process is the key process,which has a major impact on the quality of the powder bed and the precision of molded parts.In this study,the discrete element method(DEM)was adopted to simulate the powder spreading process with a roller.The three powder bed quality indicators,including the molding layer offset,voidage fraction,and surface roughness,were established.Besides,the influence of the three process parameters,which are roller’s translational speed,rotational speed,and powder spreading layer thickness on the powder bed quality indicators was also analyzed.The results show that with the reduction of the powder spreading layer thickness and the increase of the rotational speed,the offset increased significantly;when the translational speed increased,the offset first increased and then decreased,which resulted in an extreme value;with the increase of the layer thickness and the decrease of the translational speed,the values for voidage fraction and surface roughness significantly reduced.The powder bed quality indicators were adopted as the optimization objective,and the multi-objective parameter optimization was carried out.The predicted optimal powder spreading parameters and powder bed quality indicators were then obtained.Moreover,the optimal values were then verified.This study can provide informative guidance for in-situ manufacturing at the moon in future deep space exploration missions.

Differences between physical and human process simulation in geography： Empirical analysis of two cases

Physical geography and human geography are the principal branches of the geographical sciences. Physical process simulation and human process simulation in geography are both quantitative methods used to recover past events and even to forecast events based on precisely determined parameters. There are four differences between physical process simulation and human process simulation in geography, which we summarize with two specific cases, one of which is about a typhoon＇s development and its precipitation, and the other of which is regarding the evolution of three industrial structures in China. The differences focus on four aspects： the main factors of the research framework; the knowledge back-ground of the systematic analysis framework; the simulation data sources and quantitative method; and the core of the study object and the method of forecast application. As the human-land relationship is the key ideology of the man-land system, the relationship between the physical and human factors is becoming increasingly close at present. Physical process simulation and human process simulation in geography will exhibit crossing and blending in the future to reflect the various geographical phenomena better.

Multiscale Simulation Starting at the Molecular Level for Adsorption Process Development

This article presents a multiscale simulation approach starting at the molecular level for the adsorption process development. A grand canonical Monte Carlo method is used for the prediction of adsorption isotherms of methanol on an activated carbon at the molecular level. The adsorption isotherms obtained in the linear region （or adsorption constant） are exploited as a model parameter required for the adsorption process simulation. The adsorption process model described by a set of partial differential equations （PDEs） is solved by using the conservation element and solution element method, which produces a fast and an accurate numerical solution to PDEs. The simulation results obtained from the adsorption constant estimated at the molecular level are in good agreement with the experimental results of the pulse response. The systematical multiscale simulation approach addressed in this study may be useful to accelerate the adsorption process development by reducing the number of experiments.

Modeling and Simulation of Production Process on Dimethyl Ether Synthesized from Coal-based Syngas by One-step Method

As a result of shortage supply of oil resources, the process for the alternative coal-based fuel, dimethyl ether （DME）, has emerged as an important process in chemical engineering field. With the laboratory experiment data about DME synthesis and separation, the production process for DME with high purity is proposed when one-step synthesis of DME in slurry bed reactor from syngas is adopted. On the basis of experimental research and process analysis, the proper unit modules and thermophysical calculation methods for the simulation process are selected. Incorporated the experimentally determined parameters of reaction dynamic model for DME synthesis, regression constants of parameters in non-random two-liquid equation （NRTL） model for binary component in DME separation system with built-in properties model, .the process flowsheet, is.developed and simulated on the Aspen Plus platform. The simulation results coincide well with data obtained in laboratory experiment. Accordingly, the accurate simulation results offer useful references to similar equipment design and process operation optimization.

Simulation analysis of construction process of high rock slope's stabilization

A self-developed elasto-plastic finite element program was used to analyze the construction sequence of high rock slope's stabilization in a coal-coking plant, and the result was compared with that employing the ultimate equilibrium method. Based on the results of finite element analysis, the stress contour graphs and displacement vector graphs at different construction steps were obtained, and the behavior of the slope during stabilization construction process was analyzed quantitatively. Based on the analysis of safety factors of three different schemes of stabilization and two different construction schemes, the assessment of stability and bracing design of the construction process were performed. The results show that the original reinforcement design is improper; the stability of the rock slope is controlled by a developed structural plane, the stability factor after excavation is less than 1, and the free surface should be braced in time; for stability, the construction sequence should adopt that bracing follows excavation step by step up to down; the local slide occurred during the construction process agrees with the dangerous slide determined by the numerical analysis, which proves the validity and rationality of the adopted method.

Simulation and design of a heat-integrated double-effect reactive distillation process for propylene glycol methyl ether production

A double-effect reactive distillation(DERD)process was proposed for the production of propylene glycol methyl ether from propylene oxide and methanol to overcome the shortcoming of low selectivity and high-energy consumption in the tubular plug-flow reactor.A single-column reactive distillation(RD)process was conducted under optimized operating conditions based on sensitivity analysis as a reference.The results demonstrated that the proposed DERD process is able to achieve more than 95%selectivity of the desired product.After that,a design approach of the DERD process with an objective of the minimum operating cost was proposed to achieve further energy savings in the RD process.The proposed DERD configuration can provide a large energy-savings by totally utilization of the overhead vapor steam in the high-pressure RD column.A comparison of the single-column RD process revealed that the proposed DERD process can reduce the operating cost and the total annual cost of 25.3%and 30.7%,respectively,even though the total capital cost of DERD process is larger than that of the RD process.

CFD simulation of effect of anode configuration on gas–liquid flow and alumina transport process in an aluminum reduction cell

Numerical simulations of gas–liquid two-phase flow and alumina transport process in an aluminum reduction cell were conducted to investigate the effects of anode configurations on the bath flow, gas volume fraction and alumina content distributions. An Euler–Euler two-fluid model was employed coupled with a species transport equation for alumina content. Three different anode configurations such as anode without a slot, anode with a longitudinal slot and anode with a transversal slot were studied in the simulation. The simulation results clearly show that the slots can reduce the bath velocity and promote the releasing of the anode gas, but can not contribute to the uniformity of the alumina content. Comparisons of the effects between the longitudinal and transversal slots indicate that the longitudinal slot is better in terms of gas–liquid flow but is disadvantageous for alumina mixing and transport process due to a decrease of anode gas under the anode bottom surface. It is demonstrated from the simulations that the mixing and transfer characteristics of alumina are controlled to great extent by the anode gas forces while the electromagnetic forces(EMFs) play the second role.

The Modeling and Simulation of Reactive Distillation for the Esterification Process

In this paper,a generalized model of the reactive distillation processes was developed via rate-based approach. The homotopy-continuation method was employed to solve the complicated nonlinear model equations efficiently. The simulation on the reactive distillation processes was carried out with the profiles of stage temperature,composition and flow rate for both vapor and liquid phases obtained. Based on careful analysis of the simulation results, the pitfalls in experimental design were detected. Finally, a software package for the simulation of reactive distillation processes was developed.