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Dynamic Modeling and Control in Chemical and Energy Processes

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A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Energy Systems".

Deadline for manuscript submissions: closed (31 December 2020) | Viewed by 34051

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Special Issue Editors

Dr. Dimitris Ipsakis

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Guest Editor

Industrial, Energy and Environmental Systems Lab (IEESL), School of Production Engineering and Management, Technical University of Crete, 73100 Chania, Greece
Interests: process modeling; simulation and control; energy systems; hydrocarbons reforming; hydrogen-based processes; fluid catalytic cracking; kinetic modeling
Special Issues, Collections and Topics in MDPI journals

Dr. Theodoros Damartzis

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Guest Editor

Industrial Process and Energy Systems Engineering (IPESE), École Polytechnique Fédérale de Lausanne (EPFL), 1951 Sion, Switzerland
Interests: modeling and optimization design of energy systems
Special Issues, Collections and Topics in MDPI journals

Dr. Christos Chatzidoukas

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Guest Editor

Department of Chemical Engineering, Aristotle University of Thessaloniki (AUTH), P.O. Box. 472, 54124 Thessaloniki, Greece
Interests: process systems engineering in biochemical and biopolymer producing processes; microbial cultures and photosynthetic cultivation of microalgae; sustainable valorisation of biomass; production of biopolymers from renewable resources for health applications; continuous flow production systems; process integration and scale up studies of chemical and biochemical processes

Special Issue Information

Dear Colleagues,

Based on recent regulations enforced on the need to incorporate renewable energy sources and simultaneously minimize GHG emissions, significant improvement of the development of novel process systems, as well as the upgrading of existing facilities, has been accomplished. Such systems aim to convert unharnessed energy-based sources towards energy/heat, fuels, chemicals, or a combination of the above. To this end, the dynamic modeling, simulation, and control of systems operations becomes an essential tool towards unraveling complex dynamics and predicting system performance under emerging disturbances and inherent system variations. Longstanding challenges are currently focusing on efficiently managing recycle streams, ensuring stable performance irrespective of system degradation (e.g., low-quality feedstocks, the deactivation of catalysts, poor product selectivities) and operating in multiple trajectories (e.g., the facilitation of variable load demands). Added to these challenges are the advanced modeling and process control techniques that are rapidly moving from bench-scale applications towards industrial unit implementations.

This Special Issue on “Dynamic Modeling and Control in Chemical and Energy Processes” aims to collect high-quality research studies addressing challenges on the broad area of process modeling and control in stand-alone or individual systems. Topics include but are not limited to the following:

RES-based systems (solar, wind, and biomass);
Electrochemical and H₂-based systems (batteries, fuel cells, and electrolyzers);
(Bio)refining processes for energy, fuels, polymers, and fine chemicals;
Biochemical reaction processes;
Reactive separation systems;
Distributed and off-grid energy systems;
Process modeling, simulation, and control applications.

Dr. Dimitris Ipsakis
Dr. Theodoros Damartzis
Dr. Christos Chatzidoukas
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

Dynamic modeling and simulation
Process integration
Advanced and conventional process control
Biochemical and microbial/enzymic systems
Combined heat and power (CHP units)
Waste processing
C-free technologies
Renewable energy sources
Non-conventional fuels.

Published Papers (12 papers)

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Editorial

Jump to: Research

4 pages, 162 KiB

Open AccessEditorial

Special Issue on “Dynamic Modeling and Control in Chemical and Energy Processes”

by Dimitris Ipsakis

Processes 2021, 9(12), 2217; https://0-doi-org.brum.beds.ac.uk/10.3390/pr9122217 - 09 Dec 2021

Viewed by 1507

Abstract

Recent energy policies have enforced the need to minimize GHG emissions [...] Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

Research

Jump to: Editorial

9 pages, 951 KiB

Open AccessArticle

Study of the Impact of Nonionic Additives on the Composition and Structure of Petroleum Dispersed Systems by IR Spectroscopy

by Alfiya I. Lakhova, Aliya G. Safiulina, Galiya G. Islamova, Abdykerim B. Amansaryev, Ilzat I. Salakhov, Sergey M. Petrov and Natalya Yu. Bashkirtseva

Processes 2021, 9(3), 553; https://0-doi-org.brum.beds.ac.uk/10.3390/pr9030553 - 21 Mar 2021

Cited by 8 | Viewed by 1634

Abstract

The article describes a technique for obtaining a quantitative assessment of the composition and structure of the petroleum dispersed system (PDS) and its individual structural formations based on the data of the component composition and infrared spectroscopy. In the PDS of heavy petroleum feedstock modified with a mixture of unsaturated carboxylic acids and four atomic alcohols, the components of the core and the inner solvation shell are different in structure. The degree of affinity of the components of the inner and outer solvation shells of the complex structural unit (CSU), as well as that of the outer solvation shell and the hydrocarbon components of the dispersion medium, increases. Nonionic additives are involved, to a greater degree, in structuring the solvation shell of the CSU and also increase the degree of its affinity with the hydrocarbon components, which leads to an increase in the dispersion of the system and a decrease in its mobility. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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10 pages, 1389 KiB

Open AccessFeature PaperArticle

Catalytic Oxidation of Heavy Residual Oil by Pulsed Nuclear Magnetic Resonance

by Alexey V. Vakhin, Elena I. Cherkasova, Aliya G. Safiulina, Galiya G. Islamova, Sergey M. Petrov and Natalya Yu. Bashkirtseva

Processes 2021, 9(1), 158; https://0-doi-org.brum.beds.ac.uk/10.3390/pr9010158 - 15 Jan 2021

Cited by 7 | Viewed by 1930

Abstract

A study on the catalytic oxidation of heavy residual oil (HRO) was carried out. The thermodynamic parameters of components of HRO oxidation products were studied by pulsed nuclear magnetic resonance (NMR). A method for the quantitative assessment of thermodynamic parameters of HRO components and oxidized bitumen using pulsed NMR is presented. The relationship between NMR parameters and the viscosity of HRO and its oxidation products is established. The obtained results prove the possibility of using pulsed NMR as a flow-line method for rapid analysis of intermediates and products of the heavy residual oil oxidation. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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18 pages, 3780 KiB

Open AccessArticle

Dynamic Modeling and Control of a Coupled Reforming/Combustor System for the Production of H₂ via Hydrocarbon-Based Fuels

by Dimitris Ipsakis, Theodoros Damartzis, Simira Papadopoulou and Spyros Voutetakis

Processes 2020, 8(10), 1243; https://0-doi-org.brum.beds.ac.uk/10.3390/pr8101243 - 02 Oct 2020

Cited by 6 | Viewed by 2432

Abstract

The present work aims to provide insights into the dynamic operation of a coupled reformer/combustion unit that can utilize a variety of saturated hydrocarbons (HCs) with 1–4 C atoms towards H₂ production (along with CO₂). Within this concept, a preselected HC-based feedstock enters a steam reforming reactor for the production of H₂ via a series of catalytic reactions, whereas a sequential postprocessing unit (water gas shift reactor) is then utilized to increase H₂ purity and minimize CO. The core unit of the overall system is the combustor that is coupled with the reformer reactor and continuously provides heat (a) for sustaining the prevailing endothermic reforming reactions and (b) for the process feed streams. The dynamic model as it is initially developed, consists of ordinary differential equations that capture the main physicochemical phenomena taking place at each subsystem (energy and mass balances) and is compared against available thermodynamic data (temperature and concentration). Further on, a distributed control scheme based on PID (Proportional–Integral–Derivative) controllers (each one tuned via Ziegler–Nichols/Z-N methodology) is applied and a set of case studies is formulated. The aim of the control scheme is to maintain the selected process-controlled variables within their predefined set-points, despite the emergence of sudden disturbances. It was revealed that the accurately tuned controllers lead to (a) a quick start-up operation, (b) minimum overshoot (especially regarding the sensitive reactor temperature), (c) zero offset from the desired operating set-points, and (d) quick settling during disturbance emergence. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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17 pages, 3192 KiB

Open AccessArticle

Decision-Making of Port Enterprise Safety Investment Based on System Dynamics

by Jiachen Sun, Haiyan Wang and Jie Chen

Processes 2020, 8(10), 1235; https://0-doi-org.brum.beds.ac.uk/10.3390/pr8101235 - 02 Oct 2020

Cited by 9 | Viewed by 2621

Abstract

Safety is the premise of efficiency and effectiveness in the port operation. Safety investment is becoming a vital part of port operation in current era in order to overcome different types of hazards the port operation exposed to. This paper aims to improve the safety level of port operation through analyzing its influencing factors and exploring the interactions between the safety investment and system risk level. By analyzing the key factors affecting the port operation and their mutual relationship within a man–machine–environment–management system, a decision-making model of safety investment in port enterprise was established by system dynamics (SD). An illustration example and a sensitivity analysis were carried out to justify and validate the proposed model. The results show that increasing the total safety investment of port enterprises, improving the safety management investment on personnel, and strengthening the implementation effect of investment can improve the degree of port security to a certain extent. The strength of the proposed work is its practical application in current scenarios using real time data and the ability to provide a baseline approach for port enterprises to formulate safety investment strategy. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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29 pages, 3065 KiB

Open AccessArticle

A Comprehensive Energy and Exergoeconomic Analysis of a Novel Transcritical Refrigeration Cycle

by Bourhan Tashtoush, Karima Megdouli, Mouna Elakhdar, Ezzedine Nehdi and Lakdar Kairouani

Processes 2020, 8(7), 758; https://0-doi-org.brum.beds.ac.uk/10.3390/pr8070758 - 29 Jun 2020

Cited by 7 | Viewed by 2260

Abstract

A comprehensive energy and exergoeconomic analysis of a novel transcritical refrigeration cycle (NTRC) is presented. A second ejector is introduced into the conventional refrigeration system for the utilization of the gas-cooler waste heat. The thermodynamic properties of the working fluid are estimated by the database of REFPROP 9, and a FORTRAN program is used to solve the system governing equations. Exergy, energy, and exergoeconomic analyses of the two cycles are carried out to predict the exergetic destruction rate and efficiency of the systems. The optimum gas cooler working pressure will be determined for both cycles. A comprehensive comparison is made between the obtained results of the conventional and the new cycles. An enhancement of approximately 30% in the coefficient of performance (COP) of the new cycle was found in comparison to the value of the conventional cycle. In addition, the results of the analysis indicated a reduction in the overall exergy destruction rate and the total cost of the final product by 22.25% and 6%, respectively. The final product cost of the proposed NTRC was found to be 6% less than that of the conventional ejector refrigeration cycle (CERC), whereas the optimum value of the gas cooler pressure was 10.8 MPa, and 11.4 MPa for the NTRC and CERC, respectively. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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12 pages, 3241 KiB

Open AccessArticle

Efficiency Separation Process of H₂/CO₂/CH₄ Mixtures by a Hollow Fiber Dual Membrane Separator

by Wu Xiao, Pei Gao, Yan Dai, Xuehua Ruan, Xiaobin Jiang, Xuemei Wu, Yuanxin Fang and Gaohong He

Processes 2020, 8(5), 560; https://0-doi-org.brum.beds.ac.uk/10.3390/pr8050560 - 09 May 2020

Cited by 10 | Viewed by 4311

Abstract

Hydrogen purification and CO₂ capture are of great significance in refineries and pre-combustion power plants. A dual membrane separator offers an alternative approach for improving H₂/CO₂ separation efficiency. In this work, H₂/CO₂/CH₄ ternary gas mixtures separation can be achieved by a dual membrane separator with an integrated polyimide (PI) membrane and polydimethylsiloxane/polyetherimide (PDMS/PEI) composite membrane. A hollow fiber dual membrane separation equipment is designed and manufactured. Through the self-designed device, the effects of stage cut, operating temperature, operating pressure, and membrane area ratio on separation performance of dual membrane separator have been studied. The results indicate that, at a high stage cut, a dual membrane separator has obvious advantages over a single membrane separator. Operating temperature has a significant impact on gas permeation rates. At 25 °C, a dual membrane separator can obtain the highest purity of H₂ and CO₂. By increasing operating pressure, the purity and recovery of H₂ and CO₂ can be improved simultaneously. The effect of the membrane area ratio on the performance of the dual membrane separator was studied. When the permeate flows of two membranes are approximately equal by changing the membrane area ratio, the overall performance of the dual membrane separator is the best. On the basis of its synergy in promoting separation, the dual membrane separator holds great industrial application potential. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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10 pages, 808 KiB

Open AccessArticle

Effects of Particle Size on Diffusion Kinetics in Chinese Anthracites during CH₄ Desorption

by Jie Zang, Kai Wang and Yanbin Yu

Processes 2020, 8(5), 514; https://0-doi-org.brum.beds.ac.uk/10.3390/pr8050514 - 27 Apr 2020

Cited by 2 | Viewed by 1783

Abstract

Diffusion kinetics is widely acknowledged to dominate gas flow in coal matrix blocks. Knowledge of this topic is important for ongoing coalbed methane recovery and CO₂-enhanced coalbed methane production. Because laboratory diffusivity measurements are normally conducted on powdered coals, it is unclear how representative the results are for coalbeds. Investigations into the effects of particle size on gas diffusivity can provide insights into the in situ diffusivity of the coal matrix. This paper presents measured CH₄ desorption data in two Chinese anthracites (one brittle, one hard) having different particle sizes, to investigate the effects of particle size on diffusion kinetics. The experimental data were fitted by both the unipore (UP) and bidisperse (BD) models. The BD model agreed better with the measured data than the UP model, especially for the brittle coal. This indicated that the brittle coal was more abundant in macropores than the hard coal. Diffusivity in the hard coal decreased with increasing particle size but varied stochastically within a small value range in the brittle coal as the particle size increased. The diffusivity of the brittle coal, with its higher vitrinite content and lower inertinite content, was greater compared with the hard coal. This was inconsistent with reported data in which vitrinite had a smaller diffusivity than inertinite. This anomalous phenomenon may be caused by the generation of comparatively more macropores during grinding in the brittle coal. These results indicate that the effects of particle size on diffusivity may be coal-dependent, and further, the effects of particle size are influenced by other factors, including coal structure. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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13 pages, 3713 KiB

Open AccessArticle

Neural-Network-Based Building Energy Consumption Prediction with Training Data Generation

by Sanghyuk Lee, Jaehoon Cha, Moon Keun Kim, Kyeong Soo Kim, Van Huy Pham and Mark Leach

Processes 2019, 7(10), 731; https://0-doi-org.brum.beds.ac.uk/10.3390/pr7100731 - 12 Oct 2019

Cited by 6 | Viewed by 2222

Abstract

The importance of neural network (NN) modelling is evident from its performance benefits in a myriad of applications, where, unlike conventional techniques, NN modeling provides superior performance without relying on complex filtering and/or time-consuming parameter tuning specific to applications and their wider ranges of conditions. In this paper, we employ NN modelling with training data generation based on sensitivity analysis for the prediction of building energy consumption to improve performance and reliability. Unlike our previous work, where insignificant input variables are successively screened out based on their mean impact values (MIVs) during the training process, we use the receiver operating characteristic (ROC) plot to generate reliable data with a conservative or progressive point of view, which overcomes the issue of data insufficiency of the MIV method: By properly setting boundaries for input variables based on the ROC plot and their statistics, instead of completely screening them out as in the MIV-based method, we can generate new training data that maximize true positive and false negative numbers from the partial data set. Then a NN model is constructed and trained with the generated training data using Levenberg–Marquardt back propagation (LM-BP) to perform electricity prediction for commercial buildings. The performance of the proposed data generation methods is compared with that of the MIV method through experiments, whose results show that data generation using successive and cross pattern provides satisfactory performance, following energy consumption trends with good phase. Among the two options in data generation, i.e., successive and two data combination, the successive option shows lower root mean square error (RMSE) than the combination one by around 400~900 kWh (i.e., 30%~75%). Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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21 pages, 3021 KiB

Open AccessArticle

A Novel MPC with Actuator Dynamic Compensation for the Marine Steam Turbine Rotational Control with a Novel Energy Dynamic Model

by Sheng Liu, Baoling Zhao and Ling Wu

Processes 2019, 7(7), 423; https://0-doi-org.brum.beds.ac.uk/10.3390/pr7070423 - 03 Jul 2019

Cited by 1 | Viewed by 3913

Abstract

The conventional modeling method of the marine steam turbine rotational speed control system (MSTRSCS) is based on Newton’s second law, constructing the mechanical equations between the rotational acceleration and the resultant torque. The disadvantages of this are nonlinearity, a complex structure and an infinite point of discontinuity in the rotational acceleration when the rotational speed is close to 0. Taking the kinetic energy of MSTRSCS as the output variable by using the kinetic energy theorem in this paper, we convert the complex nonlinear model of MSTRSCS into a linear one, since kinetic energy and rotational speed are homeomorphic. Model predictive control (MPC) adopts a discrete-time model, whereas the real system is time-continuous. Hence, poor performance is obtained in the real system when the time-discrete control law is applied to the MSTRSCS through the actuator. In case of high requirements for system accuracy and control performance, conventional MPC (CMPC) cannot meet the engineering requirements. In order to lessen the impact of this phenomenon, this paper proposes a novel MPC with actuator dynamic compensation (ADCMPC), in which the dynamics of the actuator are quantified and the system performance is improved. Compared with other control techniques such as CMPC, the performance of the ADCMPC strategy in MSTRSCS is successfully validated. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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20 pages, 5412 KiB

Open AccessArticle

Control of Solvent-Based Post-Combustion Carbon Capture Process with Optimal Operation Conditions

by Yih-Hang Chen, Ming-Tien Shen, Hsuan Chang and Chii-Dong Ho

Processes 2019, 7(6), 366; https://0-doi-org.brum.beds.ac.uk/10.3390/pr7060366 - 12 Jun 2019

Cited by 6 | Viewed by 5430

Abstract

Solvent-based post-combustion carbon capture (PCC) is a mature and essential technology to solve the global warming problem. The high energy consuming issue and the flexible operation required by the power plants inquire about the development of effective control systems for PCC plants. This study proposes the optimal-based control approach that utilizes optimal set-point values for the quality controllers. The five optimal-based control schemes studied all employed L/G (liquid to gas ratio in absorber) as one quality control variable. Performance comparisons with a typical conventional control scheme are conducted employing a rate-based dynamic model for the MEA (monoethanolamine) solvent PCC process developed on a commercial process simulator. Compared to the typical control scheme, the optimal-based control schemes provide faster responses to the disturbance changes from the flue gas conditions and the set-point change of the CO₂ capture efficiency, as well as better results in terms of IAEs (integral of absolute errors) of capture efficiency and reboiler heat duty during the stabilization period. LG-T_str and LG-T_abs-Cascade are the best schemes. In addition to L/G, these two schemes employ the control of T_str (the temperature of a stage of stripper) and a cascade control of T_abs (the temperature of a stage of absorber) (outer loop) and T_str (inner loop), respectively. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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15 pages, 1139 KiB

Open AccessArticle

Phenomenological Over-Parameterization of the Triple-Fitting-Parameter Diffusion Models in Evaluation of Gas Diffusion in Coal

by Jie Zang, Kai Wang and Ang Liu

Processes 2019, 7(4), 241; https://0-doi-org.brum.beds.ac.uk/10.3390/pr7040241 - 25 Apr 2019

Cited by 6 | Viewed by 2918

Abstract

Gas diffusivities of coal are not measured directly but are normally regressed by fitting mathematical diffusion models to fractional sorption data measured in sorption experiments. This paper firstly measured three fractional adsorption curves at various equilibrium pressures with the manometric method. The measured fractional adsorption curves were then modeled with one single-fitting-parameter (SFP) model and three triple-fitting-parameter (TFP) models. The modeling results showed that the TFP models were phenomenologically over-parameterized due to the usage of three fitting parameters, which may be excessive for curve fitting. The phenomenological over-parameterization resulted in multiple pressure-dependences of gas diffusivity for the TFP models. The TFP models should thus be carefully used. On the other hand, the dual-fitting-parameter (DFP) models also have excellent performance in curve fitting and can produce interpretable modeling results. The DFP models can be used as an alternative to the TFP model in the future. Full article

(This article belongs to the Special Issue Dynamic Modeling and Control in Chemical and Energy Processes)

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