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.

An Interpretable Light Attention-Convolution-Gate Recurrent Unit Architecture for the Highly Accurate Modeling of Actual Chemical Dynamic Processes

To equip data-driven dynamic chemical process models with strong interpretability,we develop a light attention–convolution–gate recurrent unit(LACG)architecture with three sub-modules—a basic module,a brand-new light attention module,and a residue module—that are specially designed to learn the general dynamic behavior,transient disturbances,and other input factors of chemical processes,respectively.Combined with a hyperparameter optimization framework,Optuna,the effectiveness of the proposed LACG is tested by distributed control system data-driven modeling experiments on the discharge flowrate of an actual deethanization process.The LACG model provides significant advantages in prediction accuracy and model generalization compared with other models,including the feedforward neural network,convolution neural network,long short-term memory(LSTM),and attention-LSTM.Moreover,compared with the simulation results of a deethanization model built using Aspen Plus Dynamics V12.1,the LACG parameters are demonstrated to be interpretable,and more details on the variable interactions can be observed from the model parameters in comparison with the traditional interpretable model attention-LSTM.This contribution enriches interpretable machine learning knowledge and provides a reliable method with high accuracy for actual chemical process modeling,paving a route to intelligent manufacturing.

Coupled bio-chemo-hydro-mechanical modeling of microbially induced calcite precipitation process considering biomass encapsulation using a micro-scale relationship

Geomaterials with inferior hydraulic and strength characteristics often need improvement to enhance their engineering behaviors.Traditional ground improvement techniques require enormous mechanical effort or synthetic chemicals.Sustainable stabilization technique such as microbially induced calcite precipitation(MICP)utilizes bacterial metabolic processes to precipitate cementitious calcium carbonate.The reactive transport of biochemical species in the soil mass initiates the precipitation of biocement during the MICP process.The precipitated biocement alters the hydro-mechanical performance of the soil mass.Usually,the flow,deformation,and transport phenomena regulate the biocementation technique via coupled bio-chemo-hydro-mechanical(BCHM)processes.Among all,one crucial phenomenon controlling the precipitation mechanism is the encapsulation of biomass by calcium carbonate.Biomass encapsulation can potentially reduce the biochemical reaction rate and decelerate biocementation.Laboratory examination of the encapsulation process demands a thorough analysis of associated coupled effects.Despite this,a numerical model can assist in capturing the coupled processes influencing encapsulation during the MICP treatment.However,most numerical models did not consider biochemical reaction rate kinetics accounting for the influence of bacterial encapsulation.Given this,the current study developed a coupled BCHM model to evaluate the effect of encapsulation on the precipitated calcite content using a micro-scale semiempirical relationship.Firstly,the developed BCHM model was verified and validated using numerical and experimental observations of soil column tests.Later,the encapsulation phenomenon was investigated in the soil columns of variable maximum calcite crystal sizes.The results depict altered reaction rates due to the encapsulation phenomenon and an observable change in the precipitated calcite content for each maximum crystal size.Furthermore,the permeability and deformation of the soil mass were affected by the simultaneous precipitation of calcium carbonate.Overall,the present study comprehended the influence of the encapsulation of bacteria on cement morphology-induced permeability,biocement-induced stresses and displacements.

Research on Petri Net Based Modeling and Analyzing Methods for Workflow Process

Workflow management is an important aspect in CSCW at present. The elementary knowledge of workflow process is introduced, the Petri nets based process modeling methodology and basic definitions are provided, and the analysis and verification of structural and behavioral correctness of workflow process are discussed. Finally, the algorithm of verification of process definitions is proposed.

Dynamic business process modeling and verification for inter-organizational collaboration

To achieve an on-demand and dynamic composition model of inter-organizational business processes, a new approach for business process modeling and verification is introduced by using the pi-calculus theory. A new business process model which is multi-role, multi-dimensional, integrated and dynamic is proposed relying on inter-organizational collaboration. Compatible with the traditional linear sequence model, the new model is an M x N multi-dimensional mesh, and provides horizontal and vertical formal descriptions for the collaboration business process model. Finally, the pi-calculus theory is utilized to verify the deadlocks, livelocks and synchronization of the example models. The result shows that the proposed approach is efficient and applicable in inter-organizational business process modeling.

DECISION-MAKING OF SLICING SCHEME IN FUSED DEPOSITION MODELING PROCESS BASED ON ANALYTICAL HIERARCHICAL PROCESS

Based on analyzing the influences of a slicing scheme on stair-stepping effect, supporting structure, efficiency and deformation, etc. , analytical hierarchical process （AHP） combining with fuzzy synthetic evaluation is introduced to make decision in slicing schemes for a processing part. The application in determining the slicing scheme for a computer mouse during prototyping shows that the method increases the rationality during decision- making and improves quality and efficiency for the prototyping part.

Modeling texture evolution during rolling process of AZ31 magnesium alloy with elasto-plastic self consistent model

To gain a better understanding about texture evolution during rolling process of AZ31 alloy, polycrystalline plasticity model was implemented into the explicit FE package, ABAQUS/Explicit by writing a user subroutine VUMAT. For each individual grain in the polycrystalline aggregate, the rate dependent model was adopted to calculate the plastic shear strain increment in combination with the Voce hardening law to describe the hardening response, the lattice reorientation caused by slip and twinning were calculated separately due to their different mechanisms. The elasto-plastic self consistent （EPSC） model was employed to relate the response of individual grain to the response of the polycrystalline aggregate. Rolling processes of AZ31 sheet and as-cast AZ31 alloy were simulated respectively. The predicted texture distributions are in aualitative a^reement with experimental results.

Computer Modeling: an Important Tool in Materials Processing

The development of techniques to control and use materials, especially metallic materials continues to play a key role in the technological advancement of modem day society. A variety of materials processes have been developed overtime, and are applied to design and fabricate products. Heat treatment of metallic materials has been the method of choice applied to improve mechanical properties such as strength, hardness, and toughness, as well as to improve the homogeneity of properties in materials such as corrosion resistance. The molt significant success stories in the application of materials processes involve the heat-treatment of steel. The reasons for this largely lie in the ease with which steel microstructures can be altered by controlled heating and cooling. The objective of computer modeling of materials processes is to maximize on the beneficial factors while keeping to a minimum the negating effects such as components distortion and residual stresses. Computer modeling is a powerful tool in achieving this objective in the sense that with it, the effect of parameters associated with materials processes can be analyzed systematically in order to optimize them before actual production begins.

Fault monitoring based on mutual information feature engineering modeling in chemical process

A large amount of information is frequently encountered when characterizing the sample model in chemical process.A fault diagnosis method based on dynamic modeling of feature engineering is proposed to effectively remove the nonlinear correlation redundancy of chemical process in this paper.From the whole process point of view,the method makes use of the characteristic of mutual information to select the optimal variable subset.It extracts the correlation among variables in the whitening process without limiting to only linear correlations.Further,PCA(Principal Component Analysis)dimension reduction is used to extract feature subset before fault diagnosis.The application results of the TE(Tennessee Eastman)simulation process show that the dynamic modeling process of MIFE(Mutual Information Feature Engineering)can accurately extract the nonlinear correlation relationship among process variables and can effectively reduce the dimension of feature detection in process monitoring.

Application of Radar-Measured Rain Data in Hydrological Processes Modeling during the Intensified Observation Period of HUBEX

On the basis of Digital Elevation Model data, the raster flow vectors, watershed delineation, and spatial topological relationship are generated by the Martz and Garbrecht method for the upper area of Huangnizhuang station in the Shihe Catchment with 805 km2 of area, an intensified observation field for the HUBEX/GAME Project. Then, the Xin’anjiang Model is applied for runoff production in each grid element where rain data measured by radar at Fuyang station is utilized as the input of the hydrological model. The elements are connected by flow vectors to the outlet of the drainage catchment where runoff is routed by the Muskingum method from each grid element to the outlet according to the length between each grid and the outlet. The Nash-Sutcliffe model efficiency coefficient is 92.41% from 31 May to 3 August 1998, and 85.64%, 86.62%, 92.57%, and 83.91%, respectively for the 1st, 2nd, 3rd, and 4th flood events during the whole computational period. As compared with the case where rain-gauge data are used in simulating the hourly hydrograph at Huangnizhuang station in the Shihe Catchment, the index of model efficiency improvement is positive, ranging from 27.56% to 69.39%. This justifies the claim that radar-measured data are superior to rain-gauge data as inputs to hydrological modeling. As a result, the grid-based hydrological model provides a good platform for runoff computation when radar-measured rain data with highly spatiotemporal resolution are taken as the input of the hydrological model.

Modeling the effects of ore properties on water recovery in the thickening process

A better understanding of solid-liquid separation would assist in improving the thickening performance and perhaps water recovery as well. The present work aimed to develop an empirical model to study the effects of ore properties on the thickening process based on pilot tests using a column. A hydro-cyclone was used to prepare the required samples for the experiments. The model significantly predicted the experimental underflow solid content using a regression equation at a given solid flux and bed level for different samples, indicating that ore properties are the effective parameters in the thickening process. This work confirned that the water recovery would be increased about 5% by separating the feed into two parts, overflow and underflow, and introducing two different thickeners into them separately. This is duo to the fact that thickeners are limited by permeability and compressibility in operating conditions.

Modeling, Simulation and Optimization of a Whole Industrial Catalytic Naphtha Reforming Process on Aspen Plus Platform

A new 18-lump kinetic model for naphtha catalytic reforming reactions is discussed. By developing this model as a user module, a whole industrial continuous catalytic reforming process is simulated on Aspen plus plat-form. The technique utilizes the strong databases, complete sets of modules, and flexible simulation tools of the Aspen plus system and retains the characteristics of the proposed kinetic model. The calculated results are in fair agreement with the actual operating data. Based on the model of the whole reforming process, the process is opti-mized and the optimization results are tested in the actual industrial unit for about two months. The test shows that the process profit increases about 1000yuan·h-1 averagely, which is close to the calculated result.

Hybrid Data-Driven and Mechanistic Modeling Approaches for Multiscale Material and Process Design

The world’s increasing population requires the process industry to produce food,fuels,chemicals,and consumer products in a more efficient and sustainable way.Functional process materials lie at the heart of this challenge.Traditionally,new advanced materials are found empirically or through trial-and-error approaches.As theoretical methods and associated tools are being continuously improved and computer power has reached a high level,it is now efficient and popular to use computational methods to guide material selection and design.Due to the strong interaction between material selection and the operation of the process in which the material is used,it is essential to perform material and process design simultaneously.Despite this significant connection,the solution of the integrated material and process design problem is not easy because multiple models at different scales are usually required.Hybrid modeling provides a promising option to tackle such complex design problems.In hybrid modeling,the material properties,which are computationally expensive to obtain,are described by data-driven models,while the well-known process-related principles are represented by mechanistic models.This article highlights the significance of hybrid modeling in multiscale material and process design.The generic design methodology is first introduced.Six important application areas are then selected:four from the chemical engineering field and two from the energy systems engineering domain.For each selected area,state-ofthe-art work using hybrid modeling for multiscale material and process design is discussed.Concluding remarks are provided at the end,and current limitations and future opportunities are pointed out.

Physical Modeling of the Vacuum Circulation Refining Process of Molten Steel

The available studies in the literature on physical modeling of the vacuum circulation (RH, i.e. Ruhrstahl Heraeus) refining process of molten steel have briefly been reviewed. The latest advances made by the author with his research group have been summarized. Water modeling was employed to investigate the flow and mixing characteristics of molten steel under the RH and RH KTB (Kawasaki top blowing) conditions and the mass transfer features between molten steel and powder particles in the RH PTB (powder top blowing) refining. The geometric similarity ratio between the model and its prototype (a multifunction RH degasser of 90 t capacity) was 1:5. The effects of the related technological and structural factors were considered. These latest studies have revealed the flow and mixing characteristics of molten steel and the mass transfer features between molten steel and powder particles in these processes, and have provided a better understanding of the refining processes of molten steel.

Multiphase equilibrium modeling of oxygen bottom-blown copper smelting process

A computational thermodynamics model for the oxygen bottom-blown copper smelting process(Shuikoushan,SKS process)was established,based on the SKS smelting characteristics and theory of Gibbs free energy minimization.The calculated results of the model show that,under the given stable production condition,the contents of Cu,Fe and S in matte are71.08%,7.15%and17.51%,and the contents of Fe,SiO2and Cu in slag are42.17%,25.05%and3.16%.The calculated fractional distributions of minor elements among gas,slag and matte phases are As82.69%,11.22%,6.09%,Sb16.57%,70.63%,12.80%,Bi68.93%,11.30%,19.77%,Pb19.70%,24.75%,55.55%and Zn17.94%,64.28%,17.79%,respectively.The calculated results of the multiphase equilibrium model agree well with the actual industrial production data,indicating that the credibility of the model is validated.Therefore,the model could be used to monitor and optimize the industrial operations of SKS process.

State of the art in applications of machine learning in steelmaking process modeling

With the development of automation and informatization in the steelmaking industry,the human brain gradually fails to cope with an increasing amount of data generated during the steelmaking process.Machine learning technology provides a new method other than production experience and metallurgical principles in dealing with large amounts of data.The application of machine learning in the steelmaking process has become a research hotspot in recent years.This paper provides an overview of the applications of machine learning in the steelmaking process modeling involving hot metal pretreatment,primary steelmaking,secondary refining,and some other aspects.The three most frequently used machine learning algorithms in steelmaking process modeling are the artificial neural network,support vector machine,and case-based reasoning,demonstrating proportions of 56%,14%,and 10%,respectively.Collected data in the steelmaking plants are frequently faulty.Thus,data processing,especially data cleaning,is crucially important to the performance of machine learning models.The detection of variable importance can be used to optimize the process parameters and guide production.Machine learning is used in hot metal pretreatment modeling mainly for endpoint S content prediction.The predictions of the endpoints of element compositions and the process parameters are widely investigated in primary steelmaking.Machine learning is used in secondary refining modeling mainly for ladle furnaces,Ruhrstahl–Heraeus,vacuum degassing,argon oxygen decarburization,and vacuum oxygen decarburization processes.Further development of machine learning in the steelmaking process modeling can be realized through additional efforts in the construction of the data platform,the industrial transformation of the research achievements to the practical steelmaking process,and the improvement of the universality of the machine learning models.

Physical and Mathematical Modeling of the Argon-Oxygen Decarburization Refining Process of Stainless Steel

The available studies in the literature on physical and mathematical modeling of the argon oxygen decarburization (AOD) process of stainless steel have briefly been reviewed. The latest advances made by the author with his research group have been summarized. Water modeling was used to investigate the fluid flow and mixing characteristics in the bath of an 18 t AOD vessel, as well as the 'back attack' action of gas jets and its effects on the erosion and wear of the refractory lining, with sufficiently full kinematic similarity. The non rotating and rotating gas jets blown through two annular tuyeres, respectively of straight tube and spiral flat tube type, were employed in the experiments. The geometric similarity ratio between the model and its prototype (including the straight tube type tuyeres) was 1:3. The influences of the gas flow rate, the angle included between the two tuyeres and other operating parameters, and the suitability of the spiral tuyere as a practical application, were examined. These latest studies have clearly and successfully brought to light the fluid flow and mixing characteristics in the bath and the overall features of the back attack phenomena of gas jets during the blowing, and have offered a better understanding of the refining process. Besides, mathematical modeling for the refining process of stainless steel was carried out and a new mathematical model of the process was proposed and developed. The model performs the rate calculations of the refining and the mass and heat balances of the system. Also, the effects of the operating factors, including adding the slag materials, crop ends, and scrap, and alloy agents; the non isothermal conditions; the changes in the amounts of metal and slag during the refining; and other factors were all considered. The model was used to deal with and analyze the austenitic stainless steel making (including ultra low carbon steel) and was tested on data of 32 heats obtained in producing 304 grade steel in an 18 t AOD vessel. The changes in the bath composition and temperature during the refining process with time can be accurately predicted using this model. The model can provide some very useful information and a reliable basis for optimizing the process practice of the refining of stainless steel and control of the process in real time and online.

A CLOUD-RESOLVING MODELING STUDY OF SURFACE RAINFALL PROCESSES ASSOCIATED WITH LANDFALLING TYPHOON KAEMI(2006)

The detailed surface rainfall processes associated with landfalling typhoon Kaemi（2006） are investigated based on hourly data from a two-dimensional cloud-resolving model simulation. The model is integrated for 6 days with imposed large-scale vertical velocity, zonal wind, horizontal temperature and vapor advection from National Center for Environmental Prediction （NCEP） / Global Data Assimilation System （GDAS） data. The simulation data are validated with observations in terms of surface rain rate. The Root-Mean-Squared （RMS） difference in surface rain rate between the simulation and the gauge observations is 0.660 mm h^-1, which is smaller than the standard deviations of both the simulated rain rate （0.753 mm h^-1） and the observed rain rate （0.833 mm h^-1）. The simulation data are then used to study the physical causes associated with the detailed surface rainfall processes during the landfall. The results show that time averaged and model domain-mean Ps mainly comes from large-scale convergence （QWVF） and local vapor loss （positive QWVT）. Large underestimation （about 15%） of Ps will occur if QWVT and QCM （cloud source/sink） are not considered as contributors to Ps ,QWVF accounts for the variation of P during most of the integration time, while it is not always a contributor to Ps,Sometimes surface rainfall could occur when divergence is dominant with local vapor loss to be a contributor to Ps - Surface rainfall is a result ofmulti-timescale interactions. QWVE possesses the longest time scale and the lowest frequeney the second and QCM of variation with time and may exert impact on P on longer time scales. QWVF possesses longest time scale and lowest frequency and can explain most of the variation of Ps. QWVT possess shorter time scales and higher frequencies, which can explain more detailed variations in Ps. Partitioning analysis shows that stratiform rainfall is dominant from the morning of 26 July till the late night of 27 July. After that, convective rainfall dominates till about 1000 LST 28 July. Before 28 July, the variations of QWVT in rainfall-free regions contribute less to that of the domain-mean QWVT while after that they contribute much, which is consistent to the corresponding variations in their fractional coverage. The variations of QWVF in rainfall regions are the main contributors to that of the domain-mean QWVF, then the main contributors to the surface rain rate before the afternoon of 28 July.

Process Modeling and Dynamic Simulation for EAST Helium Refrigerator

In this paper,the process modeling and dynamic simulation for the EAST helium refrigerator has been completed.The cryogenic process model is described and the main components are customized in detail.The process model is controlled by the PLC simulator,and the realtime communication between the process model and the controllers is achieved by a customized interface.Validation of the process model has been confirmed based on EAST experimental data during the cool down process of 300-80 K.Simulation results indicate that this process simulator is able to reproduce dynamic behaviors of the EAST helium refrigerator very well for the operation of long pulsed plasma discharge.The cryogenic process simulator based on control architecture is available for operation optimization and control design of EAST cryogenic systems to cope with the long pulsed heat loads in the future.

Online Predictive Monitoring and Prediction Model for a Periodic Process Through Multiway Non-Gaussian Modeling

A new on-line predictive monitoring and prediction model for periodic biological processes is proposed using the multiway non-Gaussian modeling. The basic idea of this approach is to use multiway non-Gaussian modeling to extract some dominant key components from daily normal operation data in a periodic process, and subsequently combining these components with predictive statistical process monitoring techniques. The proposed predictive monitoring method has been applied to fault detection and diagnosis in the biological wastewater-treatment process, which is based on strong diurnal characteristics. The results show the power and advantages of the proposed predictive monitoring of a continuous process using the multiway predictive monitoring concept, which is thus able to give very useful conceptual results for a daily monitoring process and also enables a more rapid detection of the process fault than other traditional monitoring methods.