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Dynamic modelling and simulation of a post-combustion CO capture process for coal-fired power plants

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 198-209 doi: 10.1007/s11705-021-2057-7

摘要： Solvent-based post-combustion capture technologies have great potential for CO2 mitigation in traditional coal-fired power plants. Modelling and simulation provide a low-cost opportunity to evaluate performances and guide flexible operation. Composed by a series of partial differential equations, first-principle post-combustion capture models are computationally expensive, which limits their use in real time process simulation and control. In this study, we propose a first-principle approach to develop the basic structure of a reduced-order model and then the dominant factor is used to fit properties and simplify the chemical and physical process, based on which a universal and hybrid post-combustion capture model is established. Model output at steady state and trend at dynamic state are validated using experimental data obtained from the literature. Then, impacts of liquid-to-gas ratio, reboiler power, desorber pressure, tower height and their combination on the absorption and desorption effects are analyzed. Results indicate that tower height should be designed in conjunction with the flue gas flow, and the gas-liquid ratio can be optimized to reduce the reboiler power under a certain capture target.

关键词： CO2 capture     post-combustion capture     simulation     dominant factor    

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Numerical simulation and experimental research on the wheel brush sampling process of an asteroid sampler

《机械工程前沿（英文）》 2023年 第18卷 第2期 doi: 10.1007/s11465-022-0732-0

摘要： To examine the environmental characteristics of the microgravity force and the weathered layer on an asteroid surface, a symmetric wheel brush asteroid sampler is proposed for the collection of particles on the asteroid surface. To study the influence of the wheel brush rotation speed on the sampling efficiency and the driving torque required for the wheel brush, the contact dynamics model between particles and sampling wheel brushes is established and a simulation and experimental verification of the sampling process are conducted. The parameter calibration of the sampled particles is studied first, and the calibrated particle parameters are used in the numerical simulation of the sampling process. The sampling results and the particle stream curves are obtained for the working conditions of different rotation speeds, and the effects of different parameter settings on the sampling efficiency are analyzed. In addition, a set of rotating symmetrical sampling wheel brush devices is built for the ground test, and the dynamic torque sensor is used to test the torque change of the wheel brush during the sampling process. The relationship between the speed of the wheel brush and the driving torque of the wheel brush motor is determined by comparing the simulation results with the test results. Results indicate that when the rotating speed of the wheel brush is faster, the sampling efficiency is higher, and the driving torque required for the sampling wheel brush is greater. Moreover, a numerical simulation analysis of the sampling process of the wheel brush sampler in a microgravity environment is conducted to determine the optimal speed condition, and the brushing test of the wheel brush sampler in the microgravity environment is verified with the drop tower method. This research proposes the structural optimization design and motor selection of a wheel brush asteroid sampler, which provides important reference value and engineering significance.

关键词： asteroid sampling     wheel brush sampler     discrete element method     parameter calibration     experimental research    

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Synergistic optimization framework for the process synthesis and design of biorefineries

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 251-273 doi: 10.1007/s11705-021-2071-9

摘要： The conceptual process design of novel bioprocesses in biorefinery setups is an important task, which remains yet challenging due to several limitations. We propose a novel framework incorporating superstructure optimization and simulation-based optimization synergistically. In this context, several approaches for superstructure optimization based on different surrogate models can be deployed. By means of a case study, the framework is introduced and validated, and the different superstructure optimization approaches are benchmarked. The results indicate that even though surrogate-based optimization approaches alleviate the underlying computational issues, there remains a potential issue regarding their validation. The development of appropriate surrogate models, comprising the selection of surrogate type, sampling type, and size for training and cross-validation sets, are essential factors. Regarding this aspect, satisfactory validation metrics do not ensure a successful outcome from its embedded use in an optimization problem. Furthermore, the framework’s synergistic effects by sequentially performing superstructure optimization to determine candidate process topologies and simulation-based optimization to consolidate the process design under uncertainty offer an alternative and promising approach. These findings invite for a critical assessment of surrogate-based optimization approaches and point out the necessity of benchmarking to ensure consistency and quality of optimized solutions.

关键词： biotechnology     surrogate modelling     superstructure optimization     simulation-based optimization     process design    

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Monte Carlo simulation of the diffusion-limited aggregating process of particle suspension systems

Jiajing XU, Lin ZHANG, Yongjian TANG, Wei DAI, Wenwen SHAN,

《化学科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 270-274 doi: 10.1007/s11705-009-0273-7

摘要： The aggregating process of particle suspension systems is a very universal phenomena and crucial for various processes both in nature and in industry. In this paper, the aggregating process was simulated with off-lattice diffusion-limited cluster-cluster aggregation (DLCA) Monte Carlo programs. The self-similar fractal structures of aggregates have been clearly demonstrated by the statistical analysis of gyration radius distribution and the existence of a scaling distribution of the reduced cluster size. The fractal dimension determined from the relationship between mass and gyration radius of aggregates was 1.80 or so. The fractal dimension of the aggregates drawn from the radial distribution function and structure factor of a single aggregate is about 1.90–2.10. It was also showed that, along with the increasing of particle volume fraction, the fractal dimension will increase in a nearly square root manner, and the spatial range of the fractal structure appearing becomes narrower. Also, the gelation transition can only occur in a particle suspension system where the particle volume fraction is greater than a critical value.

关键词： cluster-cluster aggregation     distribution function     relationship     process     universal    

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Process simulation and economic analysis of reactor systems for perfluorinated compounds abatement without

Boreum Lee,Sunggeun Lee,Ho Young Jung,Shin-Kun Ryi,Hankwon Lim

《化学科学与工程前沿（英文）》 2016年 第10卷 第4期   页码 526-533 doi: 10.1007/s11705-016-1590-2

摘要： New and efficient reactor systems were proposed to treat perfluorinated compounds via catalytic decomposition. One system has a single reactor (S-1), and another has a series of reactors (S-2). Both systems are capable of producing a valuable CaF and eliminating toxic HF effluent and their feasibility was studied at various temperatures with a commercial process simulator, Aspen HYSYS . They are better than the conventional system, and S-2 is better than S-1 in terms of CaF production, a required heat for the system, natural gas usage and CO emissions in a boiler, and energy consumption. Based on process simulation results, preliminary economic analysis shows that cost savings of 12.37% and 13.55% were obtained in S-2 at 589.6 and 621.4 °C compared to S-1 at 700 and 750 °C, respectively, for the same amount of CaF production.

关键词： perfluorinated compounds (PFCs)     CF4     process simulation     economic analysis    

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Decision support for the development, simulation and optimization of dynamic process models

Norbert Asprion, Roger Böttcher, Jan Schwientek, Johannes Höller, Patrick Schwartz, Charlie Vanaret, Michael Bortz

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 210-220 doi: 10.1007/s11705-021-2046-x

摘要： Simulation is besides experimentation the major method for designing, analyzing and optimizing chemical processes. The ability of simulations to reflect real process behavior strongly depends on model quality. Validation and adaption of process models are usually based on available plant data. Using such a model in various simulation and optimization studies can support the process designer in his task. Beneath steady state models there is also a growing demand for dynamic models either to adapt faster to changing conditions or to reflect batch operation. In this contribution challenges of extending an existing decision support framework for steady state models to dynamic models will be discussed and the resulting opportunities will be demonstrated for distillation and reactor examples.

关键词： decision support     multicriteria optimization     model validation     dynamic model     sensitivity analysis    

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Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

《化学科学与工程前沿（英文）》 2018年 第12卷 第2期   页码 296-305 doi: 10.1007/s11705-018-1701-3

摘要： Gas membrane separation process is highly unpredictable due to interacting non-ideal factors, such as composition/pressure-dependent permeabilities and real gas behavior. Although molecular dynamic (MD) simulation can mimic those complex effects, it cannot precisely predict bulk properties due to scale limitations of calculation algorithm. This work proposes a method for modeling a membrane separation process for volatile organic compounds by combining the MD simulation with the free volume theory. This method can avoid the scale-up problems of the MD method and accurately simulate the performance of membranes. Small scale MD simulation and pure gas permeation data are employed to correlate pressure-irrelevant parameters for the free volume theory; by this approach, the microscopic effects can be directly linked to bulk properties (non-ideal permeability), instead of being fitted by a statistical approach. A lab-scale hollow fiber membrane module was prepared for the model validation and evaluation. The comparison of model predictions with experimental results shows that the deviations of product purity are reduced from 10% to less than 1%, and the deviations of the permeate and residue flow rates are significantly reduced from 40% to 4%, indicating the reliability of the model. The proposed method provides an efficient tool for process engineering to simulate the membrane recovery process.

关键词： membrane vapor separation     membrane process modeling     process engineering     free volume theory     volatile organic compound    

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Numerically investigating the crushing of sandstone by a tooth hob

《结构与土木工程前沿（英文）》   页码 964-979 doi: 10.1007/s11709-023-0978-6

摘要： To investigate the mechanical process that occurs between rocks and tooth hobs, the crushing of sandstone with a tooth hob was simulated using reconstructed multi-mineral mesoscopic numerical models of various grain-sized sandstone samples. When a piece of sandstone is crushed by the tooth of a hob rolling at a constant speed, the resultant reaction forces of the sandstone on the tooth first hinder and then contribute to the rolling of the hob. The absolute value of the longitudinal reaction force is significantly higher than that of the lateral reaction force. Because the tooth was subjected to reaction forces from the sandstone, forces and moments were applied to the hob in order to keep the hob rolling. The applied forces were equal in value and opposite in direction to the reaction forces of the sandstone on the tooth. Three typical curves of the work done by the applied forces and moment were obtained, and the contribution of the applied lateral force and moment to the total work done for crushing sandstones was variable; however, no work was done by the applied longitudinal force. Moreover, the applied longitudinal force and total work were positively correlated with the strength of sandstone samples. The total work, applied forces, and moment increased with the maximum penetration depth of the tooth in the sandstone.

关键词： sandstone     tooth hob     crushing process     reaction force     numerical simulation    

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Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

《化学科学与工程前沿（英文）》 2022年 第16卷 第7期   页码 1149-1163 doi: 10.1007/s11705-021-2096-0

摘要： The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multiphysics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10−4 mol·m–3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

关键词： carbon dioxide photoreduction     computational fluid dynamic simulation     kinetic model     Langmuir adsorption    

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Mechanistic insight into the biofilm formation and process performance of a passive aeration ditch (PAD

《环境科学与工程前沿（英文）》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1494-3

摘要：

• A Passive Aeration Ditch was developed to treat decentralized wastewater.

关键词： Decentralized wastewater     Passive aeration ditch     Biofilm formation     C/N ratio     Salinity     Model simulation    

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Study of the robustness of a low-temperature dual-pressure process for removal of CO

Stefania Moioli, Laura A. Pellegrini, Paolo Vergani, Fabio Brignoli

《化学科学与工程前沿（英文）》 2018年 第12卷 第2期   页码 209-225 doi: 10.1007/s11705-017-1688-1

摘要： The growing use of energy by most of world population and the consequent increasing demand for energy are making unexploited low quality gas reserves interesting from an industrial point of view. To meet the required specifications for a natural gas grid, some compounds need to be removed from the sour stream. Because of the high content of undesired compounds (i.e., CO ) in the stream to be treated, traditional purification processes may be too energy intensive and the overall system may result unprofitable, therefore new technologies are under study. In this work, a new process for the purification of natural gas based on a low temperature distillation has been studied, focusing on the dynamics of the system. The robustness of the process has been studied by dynamic simulation of an industrial-scale plant, with particular regard to the performances when operating conditions are changed. The results show that the process can obtain the methane product with a high purity and avoid the solidification of carbon dioxide.

关键词： CO2 capture     innovative process     cryogenic distillation     dynamic simulation     solid-liquid-vapor equilibrium    

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Applying system dynamics to strategic decision making in construction

SangHyun LEE

《工程管理前沿（英文）》 2017年 第4卷 第1期   页码 35-40 doi: 10.15302/J-FEM-2017002

摘要： The author discusses the application of System Dynamics to high-level strategic simulation in construction. In particular, System Dynamics’ strength on representing feedback processes, aggregation, soft variables, and continuous simulation clock for high-level simulation are discussed using real modeling examples. From this exercise, it is concluded that System Dynamics offers a great potential for strategic simulation in construction. Further, the author proposes a comprehensive simulation framework that integrates System Dynamics and Discrete Event Simulation for a strategic decision making process in construction where operational details should be taken into account.

关键词： strategic project management     construction management     system dynamics     feedback process     hybrid simulation    

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Simulation of abrasive flow machining process for 2D and 3D mixture models

Rupalika DASH,Kalipada MAITY

《机械工程前沿（英文）》 2015年 第10卷 第4期   页码 424-432 doi: 10.1007/s11465-015-0366-6

摘要：

Improvement of surface finish and material removal has been quite a challenge in a finishing operation such as abrasive flow machining (AFM). Factors that affect the surface finish and material removal are media viscosity, extrusion pressure, piston velocity, and particle size in abrasive flow machining process. Performing experiments for all the parameters and accurately obtaining an optimized parameter in a short time are difficult to accomplish because the operation requires a precise finish. Computational fluid dynamics (CFD) simulation was employed to accurately determine optimum parameters. In the current work, a 2D model was designed, and the flow analysis, force calculation, and material removal prediction were performed and compared with the available experimental data. Another 3D model for a swaging die finishing using AFM was simulated at different viscosities of the media to study the effects on the controlling parameters. A CFD simulation was performed by using commercially available ANSYS FLUENT. Two phases were considered for the flow analysis, and multiphase mixture model was taken into account. The fluid was considered to be a Newtonian fluid and the flow laminar with no wall slip.

关键词： abrasive flow machining (AFM)     computational fluid dynamics (CFD) modeling     mixture model    

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Permeability analysis and seepage process study on crystal layer in melt crystallization with fractal

Xiaobin JIANG, Baohong HOU, Yongli WANG, Jingkang WANG

《化学科学与工程前沿（英文）》 2011年 第5卷 第4期   页码 435-441 doi: 10.1007/s11705-011-1139-3

摘要： In this paper a porous media seepage model was applied to analyze the permeability and study the seepage process of crystal pillar formed in the preparation of electronic grade phosphoric acid (EGPA). By inspecting the seeping process, the structure parameter of crystal pillar could be obtained. Two basic ideal models (perfectly separated model and perfectly connected model) were presented and a characterized factor was introduced to modify the model. A good simulation result was obtained which met the experiment result well. The relationship between and permeability were also discussed. The characterized factor showed potential application on optimizing process.

关键词： melt crystallization     porous media     fractal     permeability     hyperpure material     simulation    

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基于虚拟现实的截流施工动态可视化仿真研究

佟大威

《中国工程科学》 2011年 第13卷 第12期   页码 80-83

摘要：

利用虚拟现实和3dsmax技术进行了截流施工场景三维仿真建模，并在此基础上，结合龙口水力指标的动态计算，提出了基于虚拟现实的截流施工三维动态可视化仿真技术，实现了截流过程的逼真预演和多方案的比较分析，从而为截流组织设计与决策提供了强有力的可视化分析手段。

关键词： 虚拟现实     截流     三维动态     可视化仿真    

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标题 作者 时间 类型 操作

Dynamic modelling and simulation of a post-combustion CO capture process for coal-fired power plants

期刊论文

Numerical simulation and experimental research on the wheel brush sampling process of an asteroid sampler

期刊论文

Synergistic optimization framework for the process synthesis and design of biorefineries

期刊论文

Monte Carlo simulation of the diffusion-limited aggregating process of particle suspension systems

Jiajing XU, Lin ZHANG, Yongjian TANG, Wei DAI, Wenwen SHAN,

期刊论文

Process simulation and economic analysis of reactor systems for perfluorinated compounds abatement without

Boreum Lee,Sunggeun Lee,Ho Young Jung,Shin-Kun Ryi,Hankwon Lim

期刊论文

Decision support for the development, simulation and optimization of dynamic process models

Norbert Asprion, Roger Böttcher, Jan Schwientek, Johannes Höller, Patrick Schwartz, Charlie Vanaret, Michael Bortz

期刊论文

Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

期刊论文

Numerically investigating the crushing of sandstone by a tooth hob

期刊论文

Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

期刊论文

Mechanistic insight into the biofilm formation and process performance of a passive aeration ditch (PAD

期刊论文

Study of the robustness of a low-temperature dual-pressure process for removal of CO

Stefania Moioli, Laura A. Pellegrini, Paolo Vergani, Fabio Brignoli

期刊论文

Applying system dynamics to strategic decision making in construction

SangHyun LEE

期刊论文

Simulation of abrasive flow machining process for 2D and 3D mixture models

Rupalika DASH,Kalipada MAITY

期刊论文

Permeability analysis and seepage process study on crystal layer in melt crystallization with fractal

Xiaobin JIANG, Baohong HOU, Yongli WANG, Jingkang WANG

期刊论文

基于虚拟现实的截流施工动态可视化仿真研究

佟大威

期刊论文