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CPPM special issue in honour of Emeritus Professor W.Y. “Bill” Svrcek CPPM纪念名誉教授W.Y.“Bill”Svrcek特刊
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-28 DOI: 10.1515/cppm-2021-0042
B. Young, R. Bozorgmehry
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引用次数: 0
Modeling of lime production process using artificial neural network 石灰生产过程的人工神经网络建模
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-26 DOI: 10.1515/cppm-2021-0032
Abolghasem Daeichian, Rana Shahramfar, Elham Heidari
Abstract Lime is a significant material in many industrial processes, including steelmaking by blast furnace. Lime production through rotary kilns is a standard method in industries, yet it has depreciation, high energy consumption, and environmental pollution. A model of the lime production process can help to not only increase our knowledge and awareness but also can help reduce its disadvantages. This paper presents a black-box model by Artificial Neural Network (ANN) for the lime production process considering pre-heater, rotary kiln, and cooler parameters. To this end, actual data are collected from Zobahan Isfahan Steel Company, Iran, which consists of 746 data obtained in a duration of one year. The proposed model considers 23 input variables, predicting the amount of produced lime as an output variable. The ANN parameters such as number of hidden layers, number of neurons in each layer, activation functions, and training algorithm are optimized. Then, the sensitivity of the optimum model to the input variables is investigated. Top-three input variables are selected on the basis of one-group sensitivity analysis and their interactions are studied. Finally, an ANN model is developed considering the top-three most effective input variables. The mean square error of the proposed models with 23 and 3 inputs are equal to 0.000693 and 0.004061, respectively, which shows a high prediction capability of the two proposed models.
摘要石灰是许多工业过程中的重要材料,包括高炉炼钢。回转窑生产石灰是工业上的一种标准方法,但它具有折旧、高能耗和环境污染的特点。石灰生产过程的模型不仅有助于增加我们的知识和意识,而且有助于减少其缺点。本文采用人工神经网络建立了石灰生产过程的黑盒模型,该模型考虑了预热器、回转窑和冷却器的参数。为此,从伊朗Zobahan Isfahan钢铁公司收集了实际数据,该公司在一年内获得了746个数据。所提出的模型考虑了23个输入变量,将生产的石灰量作为输出变量进行预测。对神经网络的隐层数、每层神经元数、激活函数和训练算法等参数进行了优化。然后,研究了最优模型对输入变量的敏感性。在一组敏感性分析的基础上选择了前三个输入变量,并研究了它们的相互作用。最后,考虑前三个最有效的输入变量,建立了一个神经网络模型。所提出的具有23个和3个输入的模型的均方误差分别等于0.000693和0.004061,这表明了所提出的两个模型的高预测能力。
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引用次数: 0
Control of TITO processes using sliding mode controller tuned by ITAE minimizing criterion based Nelder-Mead algorithm 采用基于Nelder-Mead算法的ITAE最小准则调谐的滑模控制器控制TITO过程
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-26 DOI: 10.1515/cppm-2020-0120
Govinda Kumar E, A. J.
Abstract Control of multi input and multi output (MIMO) process with interaction is often encountered in process industry. Such MIMO processes are controlled using conventional sliding mode controller (SMC) and tuned by integral square error (ISE) minimizing criterion based Nelder-Mead algorithm. SMC tuned by integral time absolute error (ITAE) minimization criterion based Nelder-Mead algorithm is proposed in this work. Three categories of two inputs and two outputs (TITO) process models are represented in the matrix form, with each of the matrix element representing a first order plus dead time (FOPDT) process. These TITO models are categorized based on the ratio ε, between dead time and time constant of the FOPDT model which forms the matrix element of the TITO model. The performance of conventional SMC is evaluated for these three categories of TITO models, in which the TITO process models with the ratio ε greater than the one, exhibited by poor closed loop performance, whereas the proposed SMC when applied to the these process models delivered superior closed loop performance.
多输入多输出(MIMO)交互过程控制是过程工业中经常遇到的问题。这种MIMO过程采用传统的滑模控制器(SMC)控制,并采用基于积分平方误差(ISE)最小化准则的Nelder-Mead算法进行调谐。本文提出了一种基于积分时间绝对误差(ITAE)最小化准则的奈德-米德算法。以矩阵形式表示两输入两输出(TITO)过程模型的三类,每个矩阵元素表示一个一阶加死区时间(FOPDT)过程。这些TITO模型是根据FOPDT模型的死区时间与时间常数的比值ε进行分类的,后者构成了TITO模型的矩阵元素。结果表明,ε比大于1的TITO过程模型闭环性能较差,而应用于这些过程模型的传统SMC具有较好的闭环性能。
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引用次数: 1
To the problem of forming the equation system for pressure swing adsorption mathematical model 关于变压吸附数学模型方程组的建立问题
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-26 DOI: 10.1515/cppm-2021-0008
O. Golubyatnikov, E. Akulinin, S. Dvoretsky, D. Dvoretsky
Abstract The complexity of the pressure swing adsorption (PSA) mathematical model, the need for its multiple calculations to reach the cyclic steady state and a large number of functional dependencies lead to unstable numerical circuits, physically unrealistic oscillations in adsorption profiles, an increase in the calculation time, and the failure of the solver. The paper proposes an approach to optimizing the calculation process, which consists in finding a reasonable balance between the completeness of the PSA mathematical model and the accuracy of the results obtained. The effectiveness of the approach is demonstrated on the example of air oxygen enrichment and hydrogen recovery from synthesis gas. The gas separation processes were simulated for the two-adsorber PSA unit with a granulated 13X adsorbent. The effect of the changes in the model coefficients on its accuracy in the operating range of input variables is investigated. A distinctive feature of this study is the recommendations for choosing a set of the model equations to calculate the PSA processes which are particularly relevant when solving optimization problems with uncertainty. The productivity, cycle duration, the diameter of the adsorbent particles and the flow rate, at which it is advisable to use the isothermal and external diffusion reduced PSA model in the calculations, are established, which will save at least 24.3 and 47.1% of the CPU time with a small loss in accuracy. The proposed approach can be used to form a set of equations for the PSA, rPSA, ultra rPSA, VSA, VPSA models, separation of various gas mixtures on various adsorbents.
摘要变压吸附(PSA)数学模型的复杂性、需要多次计算才能达到循环稳态以及大量的函数依赖性导致了不稳定的数值回路、吸附剖面的物理不现实振荡、计算时间的增加以及求解器的故障。本文提出了一种优化计算过程的方法,即在PSA数学模型的完整性和所得结果的准确性之间找到合理的平衡。以合成气中的空气富氧和氢气回收为例,验证了该方法的有效性。模拟了具有颗粒状13X吸附剂的两个吸附器PSA单元的气体分离过程。研究了在输入变量的操作范围内,模型系数的变化对其精度的影响。本研究的一个显著特点是建议选择一组模型方程来计算PSA过程,这在解决具有不确定性的优化问题时特别相关。建立了生产率、循环持续时间、吸附剂颗粒的直径和流速,建议在计算中使用等温和外部扩散减少的PSA模型,这将节省至少24.3%和47.1%的CPU时间,同时精度损失较小。所提出的方法可用于形成PSA、rPSA、ultra-rPSA、VSA、VPSA模型的一组方程,以及在各种吸附剂上分离各种气体混合物。
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引用次数: 3
A novel LSSVM-L Hammerstein model structure for system identification and nonlinear model predictive control of CSTR servo and regulatory control 一种新的LSSVM-L Hammerstein模型结构用于CSTR伺服调节控制系统辨识和非线性模型预测控制
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-08 DOI: 10.1515/cppm-2021-0020
A. Naregalkar, Subbulekshmi Durairaj
Abstract A continuous stirred tank reactor (CSTR) servo and the regulatory control problem are challenging because of their highly non-linear nature, frequent changes in operating points, and frequent disturbances. System identification is one of the important steps in the CSTR model-based control design. In earlier work, a non-linear system model comprises a linear subsystem followed by static nonlinearities and represented with Laguerre filters followed by the LSSVM (least squares support vector machines). This model structure solves linear dynamics first and then associated nonlinearities. Unlike earlier works, the proposed LSSVM-L (least squares support vector machines and Laguerre filters) Hammerstein model structure solves the nonlinearities associated with the non-linear system first and then linear dynamics. Thus, the proposed Hammerstein’s model structure deals with the nonlinearities before affecting the entire system, decreasing the model complexity and providing a simple model structure. This new Hammerstein model is stable, precise, and simple to implement and provides the CSTR model with a good model fit%. Simulation studies illustrate the benefit and effectiveness of the proposed LSSVM-L Hammerstein model and its efficacy as a non-linear model predictive controller for the servo and regulatory control problem.
摘要连续搅拌槽式反应器(CSTR)具有高度非线性、工作点变化频繁、扰动频繁等特点,伺服及调节控制问题具有挑战性。系统辨识是基于CSTR模型的控制设计的重要步骤之一。在早期的工作中,非线性系统模型包括一个线性子系统,然后是静态非线性,用LSSVM(最小二乘支持向量机)和Laguerre滤波器表示。该模型结构首先解决线性动力学问题,然后解决相关的非线性问题。与早期的工作不同,提出的LSSVM-L(最小二乘支持向量机和拉盖尔滤波器)Hammerstein模型结构首先解决与非线性系统相关的非线性问题,然后解决线性动力学问题。因此,所提出的Hammerstein模型结构在影响整个系统之前就处理了非线性,降低了模型的复杂性,提供了一个简单的模型结构。这种新的Hammerstein模型稳定、精确、易于实现,并为CSTR模型提供了良好的模型拟合%。仿真研究表明了所提出的LSSVM-L Hammerstein模型的优点和有效性,以及它作为伺服和调节控制问题的非线性模型预测控制器的有效性。
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引用次数: 3
Energy and exergy optimization of oxidative steam reforming of acetone–butanol–ethanol–water mixture as a renewable source for H2 production via thermodynamic modeling 基于热力学模型的丙酮-丁醇-乙醇-水混合物氧化蒸汽重整制氢的能量和火用优化
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-05 DOI: 10.1515/cppm-2020-0116
B. Kumar, Shishir Sinha, Shashi Kumar, Surendra Kumar
Abstract Acetone–butanol–ethanol–water mixture is obtained by fermentation of biomass namely, corncob, wheat straw, sugarbeets, sugarcane, etc. For using the individual components, one alternative is to separate the mixture by distillation, which is costly and energy intensive operation. This paper proposes its other use in available conditions to produce hydrogen fuel by oxidative steam reforming process. For the proposed process, thermodynamic equilibrium modeling has been performed by using non-stoichiometric approach of Gibbs free energy minimization. The compositions of acetone, butanol and ethanol in mixture are 0.33:0.52:0.15 on molar basis. The influence of pressure (1–10 atm), temperature (573–1473 K), steam to ABE mixture molar feed ratio (FABE = 5.5–8.5), and oxygen to ABE mixture molar feed ratio (FOABE = 0.25–1) have been tested by simulations on the yield of products (at equilibrium) namely, H2, CH4, CO2, CO, and carbon as solid. The optimum conditions for maximum production of desired H2, minimization of undesired CH4, and elimination of carbon (solid) formation are T = 973 K, P = 1 atm, FABE = 8.5, and FOABE = 0.25. Under same operating conditions, the maximum generation of H2 is 7.51 on molar basis with negligible carbon formation. The total energy requirement for the process (295.73 kJ/mol), the energy required/mol of hydrogen (39.37 kJ), and thermal efficiency (68.09%) of the reformer have been obtained at same operating conditions. The exergy analysis has also been investigated to measure the work potential of the energy implied in the reforming process.
摘要丙酮-丁醇-乙醇-水混合物是通过生物质(即玉米芯、麦秆、甜菜、甘蔗等)发酵获得的。对于使用单独的成分,一种替代方案是通过蒸馏分离混合物,这是一种成本高昂且耗能高的操作。本文提出了它在可用条件下通过氧化蒸汽重整工艺生产氢燃料的其他用途。对于所提出的过程,已经使用吉布斯自由能最小化的非化学计量方法进行了热力学平衡建模。混合物中丙酮、丁醇和乙醇的组成以摩尔计为0.33:0.52:0.15。压力(1–10个大气压)、温度(573–1473 K)、蒸汽与ABE混合物的进料摩尔比(FABE=5.5–8.5)和氧气与ABE混合料的进料摩尔比(FOABE=0.25–1)对产物(平衡时)的产率(即H2、CH4、CO2、CO和固体碳)的影响已通过模拟进行了测试。最大限度地产生所需H2、最小化不期望的CH4和消除碳(固体)形成的最佳条件是T=973K、P=1atm、FABE=8.5和FOABE=0.25。在相同的操作条件下,H2的最大生成量为7.51摩尔,碳的形成可以忽略不计。在相同的操作条件下,获得了该工艺的总能量需求(295.73kJ/mol)、所需能量/mol氢气(39.37kJ)和重整器的热效率(68.09%)。还对火用分析进行了研究,以测量重整过程中隐含的能量的功潜力。
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引用次数: 0
CFD simulation of the ethylbenzene dehydrogenation reaction in the fixed bed reactor with a cylindrical catalyst of various sizes 不同尺寸圆柱形催化剂固定床反应器中乙苯脱氢反应的CFD模拟
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-07-01 DOI: 10.1515/cppm-2021-0002
S. Solovev, O. Soloveva, D. L. Paluku, A. Lamberov
Abstract In this paper, the Discrete Element Method of simulation was used to study the catalytic granule size effect on the efficiency of a bed reactor for the ethylbenzene dehydrogenation reaction. The model constructed for the laboratory experiment was made of catalyst granules of lengths 3, 6 and 9 mm, and diameters 2.8, 3, and 3.2 mm. A detailed evaluation of the catalyst total surface area and porosity effect was conducted owing to the analysis of particles size effect on the packing. Different results were observed for a wide feed gas mixture rate. Calculations performed allowed to deduce dependences of the reaction product concentration, the pressure drops, and the reactor productivity for all the particle sizes investigated.
摘要本文采用离散元模拟方法研究了催化颗粒尺寸对乙苯脱氢反应床反应器效率的影响。为实验室实验构建的模型由长度为3、6和9mm、直径为2.8、3和3.2mm的催化剂颗粒制成。通过分析颗粒尺寸对填料的影响,对催化剂总表面积和孔隙率效应进行了详细评估。对于宽进料气体混合速率,观察到不同的结果。所进行的计算可以推导出所研究的所有颗粒尺寸的反应产物浓度、压降和反应器生产率的依赖性。
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引用次数: 6
Performance of molecular dynamics simulation for predicting of solvation free energy of neutral solutes in methanol 分子动力学模拟预测甲醇中性溶质溶剂化自由能的性能
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-06-21 DOI: 10.1515/cppm-2021-0014
M. Emamian, H. Azizpour, H. Moradi, K. Keynejad, H. Bahmanyar, Z. Nasrollahi
Abstract In this study, molecular dynamics simulation was applied for calculating solvation free energy of 16 solute molecules in methanol solvent. The thermodynamic integration method was used because it was possible to calculate the difference in free energy in any thermodynamic path. After comparing results for solvation free energy in different force fields, COMPASS force field was selected since it had the lowest error compared to experimental result. Group-based summation method was used to compute electrostatic and van der Waals forces at 298.15 K and 1 atm. The results of solvation free energy were obtained from molecular dynamics simulation and were compared to the results from Solvation Model Density (SMD) and Universal Continuum Solvation Model (denoted as SM8), which were obtained from other research works. Average square-root-error for molecular dynamics simulation, SMD and SM8 models were 0.096091, 0.595798, and 0.70649. Furthermore, the coefficient of determination (R2) for molecular dynamics simulation was 0.9618, which shows higher accuracy of MD simulation for calculating solvation free energy comparing to two other models.
摘要本研究采用分子动力学模拟方法计算了16个溶质分子在甲醇溶剂中的溶剂化自由能。采用热力学积分法是因为它可以计算任意热力学路径下的自由能差。在比较不同力场下溶剂化自由能的结果后,选择COMPASS力场,因为它与实验结果的误差最小。采用分组求和法计算298.15 K和1 atm下的静电力和范德华力。通过分子动力学模拟得到了溶剂化自由能的结果,并与其他研究工作中得到的溶剂化模型密度(SMD)和通用连续体溶剂化模型(SM8)的结果进行了比较。分子动力学模拟、SMD和SM8模型的平均平方根误差分别为0.096091、0.595798和0.70649。分子动力学模拟的决定系数(R2)为0.9618,表明MD模拟计算溶剂化自由能的精度高于其他两种模型。
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引用次数: 4
Murphree vapor efficiency prediction in SCC columns by computational fluid dynamics analysis 用计算流体力学分析预测SCC塔中墨菲蒸气效率
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-06-08 DOI: 10.1515/cppm-2020-0091
M. Zivdar, Nasim Shahrouei
Abstract The spinning cone columns (SCC) are one of the distillation columns with increasing applications in food industries. The geometrical complexity and different flow regimes, besides the presence of moving parts, make the design and analysis of these columns challenging. Computational fluid dynamics analysis of SCC columns has shown promising results in analyzing the performance of these towers. The majority of previous works were pertinent to the air/water systems. Therefore, the application of these results to real systems is not very clear. In this study, the liquid film thickness, mass transfer coefficients, HETP, and Murphree vapor efficiency for the water/ethanol system have been predicted in a pilot-scale column. The results show that by increasing the radial distance from the axis, the thickness of the liquid film gradually decreases. This finding is also in consistent with the experimental results. The maximum thickness of the liquid film is <1 mm and is near the axis. Mass transfer coefficients in the liquid phase and in the gas phase increase slightly with increasing flow velocity and remain almost unchanged. The average values of these coefficients in the liquid and gas phases are 0.023 (s−1) and 1.21 (s−1), respectively. HETP increased with increasing gas velocity, the range of which varies between 0.092 and 0.375 m. Also, Murphree vapor efficiency at three rotational speeds of 550, 750, and 1000 rpm are predicted and compared with the experimental data. The results show that the efficiency has been decreased by increasing the strip ratio and increased by increasing the rotational speed. Minimum and maximum efficiencies obtained are 3.48 and 24.56% corresponding to strip ratio = 27.1% and RPM = 550 plus strip ratio = 9.15% and RPM = 1000, respectively. The predicted efficiencies are in a reasonable agreement (within 10.3%) with experimental data.
旋锥塔是食品工业中应用越来越广泛的精馏塔之一。几何的复杂性和不同的流动形式,以及运动部件的存在,使得这些柱的设计和分析具有挑战性。SCC塔的计算流体力学分析在分析这些塔的性能方面显示出令人满意的结果。以前的大部分工作都与空气/水系统有关。因此,这些结果在实际系统中的应用还不是很清楚。在本研究中,在中试塔中预测了水/乙醇体系的液膜厚度、传质系数、HETP和Murphree蒸气效率。结果表明:随着离轴径向距离的增大,液膜厚度逐渐减小;这一发现也与实验结果相一致。液膜最大厚度< 1mm,靠近轴。液相和气相传质系数随流速的增加而略有增加,基本保持不变。液相和气相中这些系数的平均值分别为0.023 (s−1)和1.21 (s−1)。HETP随气速的增大而增大,其变化范围为0.092 ~ 0.375 m。预测了550、750和1000 rpm转速下的Murphree蒸汽效率,并与实验数据进行了比较。结果表明,增大带比会降低效率,增大转速会提高效率。当带材比= 27.1%、转速= 550 +带材比= 9.15%、转速= 1000时,最小效率为3.48,最大效率为24.56%。预测的效率与实验数据基本一致(在10.3%以内)。
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引用次数: 0
Evaluation the effect of the ambient temperature on the liquid petroleum gas transportation pipeline 评价环境温度对液化石油气输送管道的影响
IF 0.9 Q4 ENGINEERING, CHEMICAL Pub Date : 2021-06-04 DOI: 10.1515/cppm-2021-0024
A. Abd, S. Naji, C. Tye, M. Othman
Abstract Liquefied petroleum gas (LPG) plays a major role in worldwide energy consumption as a clean source of energy with low greenhouse gases emission. LPG transportation is exhibited through networks of pipelines, maritime, and tracks. LPG transmission using pipeline is environmentally friendly owing to the low greenhouse gases emission and low energy requirements. This work is a comprehensive evaluation of transportation petroleum gas in liquid state and compressible liquid state concerning LPG density, temperature and pressure, flow velocity, and pump energy consumption under the impact of different ambient temperatures. Inevitably, the pipeline surface exchanges heat between LPG and surrounding soil owing to the temperature difference and change in elevation. To prevent phase change, it is important to pay attention for several parameters such as ambient temperature, thermal conductivity of pipeline materials, soil type, and change in elevation for safe, reliable, and economic transportation. Transporting LPG at high pressure requests smaller pipeline size and consumes less energy for pumps due to its higher density. Also, LPG transportation under moderate or low pressure is more likely exposed to phase change, thus more thermal insulation and pressure boosting stations required to maintain the phase envelope. The models developed in this work aim to advance the existing knowledge and serve as a guide for efficient design by underling the importance of the mentioned parameters.
液化石油气(LPG)作为一种低温室气体排放的清洁能源,在全球能源消费中发挥着重要作用。液化石油气运输通过管道、海运、轨道网络进行展示。使用管道输送液化石油气,温室气体排放量低,能源需求低,对环境友好。本文对不同环境温度影响下液化石油气密度、温度压力、流速、泵能耗等液态和可压缩液态输送石油气进行了综合评价。由于温度的差异和海拔的变化,管道表面不可避免地要与周围的土壤进行热量交换。为了防止相变,需要注意环境温度、管道材料导热系数、土壤类型、高程变化等参数,确保运输安全、可靠、经济。在高压条件下输送液化石油气,由于其密度较高,需要更小的管道尺寸和更少的泵能耗。此外,在中压或低压下的LPG运输更容易发生相变,因此需要更多的隔热和增压站来维持相包线。在这项工作中开发的模型旨在通过强调上述参数的重要性来推进现有知识并作为有效设计的指南。
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引用次数: 0
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Chemical Product and Process Modeling
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