Process Simulation Tools Research Articles

Application of Simulation in the Management of the Operational Warehouse, A Systematic Literature Review

A significant issue in the application of simulation tools in production processes is the difficulty in effectively integrating these tools into existing logistics systems, which often leads to underutilization and suboptimal performance. According to a study by McKinsey & Company (2017), only 17% of companies have successfully integrated advanced simulation tools into their logistics processes, resulting in considerable inefficiencies. Additionally, a report by Gartner (2020) highlighted that 55% of organizations face significant challenges in aligning simulation technologies with their operational workflows, often due to a lack of expertise and inadequate technological infrastructure. This document provides a qualitative analysis to present a current overview of the application areas and benefits of simulation tools in intralogistics processes through a systematic literature review of 108 articles published between 2011 and 2023. The primary focus to explore is about operational warehouses processes, examining applications by country, knowledge area, simulation tool type, practical or theoretical application and implementation challenges of simulation.

The impact of design and operational parameters on the optimal performance of direct air capture units using solid sorbents

Direct capture of CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document} from ambient air is technically feasible today, with commercial units already in operation. A demonstrated technology for achieving direct air capture (DAC) is chemical separation of CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document} in a steam-assisted temperature-vacuum swing adsorption (S-TVSA) process. However, the potential to develop scalable solutions remains high, requiring a detailed understanding of the impact of both process design and operation on the performance of the DAC unit. Here, we address this knowledge gap by presenting a state-of-the-art process simulation tool for the purification of CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document} from ambient air by a 5-step S-TVSA process. By considering the benchmark adsorbent APDES-NFC, we conduct multi-objective productivity/energy usage optimization of the DAC unit, subject to the requirement of producing a high purity CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document} product (≥95\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\ge 95$$\\end{document}%). For the base case scenario, we find a maximum productivity of Prmax=6.20\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_{\\max } = 6.20$$\\end{document} kg/m3\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^3$$\\end{document}/day and a minimum specific equivalent work of WEQ,min=1.66\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_{\ ext {EQ},\\min } = 1.66$$\\end{document} MJ/kg. While in reasonable agreement with published data, our results indicate that the description of both competitive adsorption and adsorption kinetics are key factors in introducing uncertainty in process model predictions. We also demonstrate that the application of formal optimization techniques, rather than design heuristics, is central to reliably assess the process performance limits. We identity that system designs employing moderate CO2\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$_2$$\\end{document} sorption kinetics and contactors with low length-to-radius ratios yield the best performance in terms of system productivity. Finally, we find that moderate-high ambient relative humidities (50–75%) offer significantly favourable performance, and that a wide range of feed temperatures (5–30 ∘\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^\\circ$$\\end{document}C) can be accommodated via process optimization without a significant impact on performance.

Biodiesel production using various methanol sources and catalytic routes: A techno-environmental analysis

The primary objective of this research is to investigate the biodiesel production via the transesterification reaction between triolein and methanol in the presence of a basic and acidic catalysts, namely sodium hydroxide and sulfuric acid, using CHEMCAD simulation software as a process modelling and simulation tool. Methanol, one of the raw-materials used in biodiesel manufacturing, was synthesized using reforming technology applied to: i) coke oven gas and carbon dioxide, and ii) glycerol that represents an important by-product of the biodiesel synthesis. Four different cases were developed and compared, with detailed operating parameters and equipment designs for each of the investigated scenarios. The production capacity was set to 1000.00 kg/h of biodiesel and a purity higher than 98 % was registered in all investigated cases. Based on the material and energy balances derived from modelling and simulation section, an environmental analysis using the Life Cycle Assessment methodology was performed with the aid of the GaBi software. Ten environmental impact categories (i.e., Global Warming Potential, Fossil Depletion Potential, Human Toxicity, Water Depletion, etc.) are generated and relevant discussions about the sub-processes that exhibit the highest influence are given. The environmental evaluation shows that the most environmentally friendly scenario consists of the methanol production using coke oven gas and carbon dioxide, and its subsequent utilization for the biodiesel production following the alkali catalysis. A scenario analysis regarding several electric and thermal energy sources (i.e., natural gas, biogas, biomass, grid mix) was performed. According to this scenario analysis, while evaluating the synthesis of biodiesel through the alkali catalysis pathway, using biomass as a renewable source improves the environmental performances across certain impact categories.

AscentAM: A Software Tool for the Thermo-Mechanical Process Simulation of Form Deviations and Residual Stresses in Powder Bed Fusion of Metals Using a Laser Beam

Due to the tool-less fabrication of parts and the high degree of geometric design freedom, additive manufacturing is experiencing increasing relevance for various industrial applications. In particular, the powder bed fusion of metals using a laser beam (PBF-LB/M) process allows for the metal-based manufacturing of complex parts with high mechanical properties. However, residual stresses form during PBF-LB/M due to high thermal gradients and a non-uniform cooling. These lead to a distortion of the parts, which reduces the dimensional accuracy and increases the amount of post-processing necessary to meet the defined requirements. To predict the resulting residual stress state and distortion prior to the actual PBF-LB/M process, this paper presents the finite-element-based simulation tool AscentAM with its core module and several sub-modules. The tool is based on open-source programs and utilizes a sequentially coupled thermo-mechanical simulation, in which the significant influences of the manufacturing process are considered by their physical relations. The simulation entirely emulates the PBF-LB/M process chain including the heat treatment. In addition, algorithms for the part pre-deformation and the export of a machine-specific file format were implemented. The simulation results were verified, and an experimental validation was performed for two benchmark geometries with regard to their distortion. The application of the optimization sub-module significantly minimized the form deviation from the nominal geometry. A high level of accuracy was observed for the prediction of the distortion at different manufacturing states. The process simulation provides an important contribution to the first-time-right manufacturing of parts fabricated by the PBF-LB/M process.

DEVELOPMENT AND ASSESSMENT OF MANUAL AND AUTOMATED PID CONTROLLERS FOR THE OPTIMUM PRODUCTION OF ETHYLENE GLYCOL IN A CSTR

Industrially, one of the techniques used to enhance the optimum production of petrochemicals is the configuration of process control units such as gas chromatography (G.C. Analyzer) for concentration and thermocouple for temperature in the production system. This research focused on the application of the principles of mass and energy conservation in the development of dynamic or unsteady state models for predicting the behaviour of the system or process involved in the production of ethylene glycol from a reaction involving oxidation of ethylene-to-ethylene oxide which further undergoes hydrolysis to produce ethylene glycol in a continuous stirred tank reactor (CSTR). The high mathematical complexities of the mass and energy balance models of the Process as a result of the reaction kinetic scheme of the non-elementary reaction of the process which integrated both linear and non-linear terms into the models were resolved by the application of the principles of Taylor’s series expansion, Laplace Transform, partial fraction and matrix in the development of the dynamic models. Process simulation tool (Simulink) was utilized in the configuration of closed-loop systems with thermocouple and G. C. Analyzer, at the feed point of the reactor for process variables (temperature and concentration) control during the process using proportional, integral and derivative (PID) as controller parameters. The results of the process behaviour showed that manual tuning of different controller parameters experienced a high level of fluctuations and would not attain its stability or steady state even at a processing time above 16 seconds. Whereas, automatic tuning of desired controller gains of 1.361, 1.056 and 0.4109 for K P, K I and K D for temperature and pressure with a tuning time of 143.9 Seconds, requires a maximum time of 8 seconds for the system to attain stability. This study showed that automated tuning of the controller resulted in better performance characteristics for optimum production of ethylene glycol in a non-isotheral continuous stirred tank reactor within the shortest possible time.

Carbon and water footprint of battery-grade lithium from brine and spodumene: A simulation-based LCA

Increasing demand for lithium driven by e-mobility spurs the expansion of lithium projects and exploration of lower-grade resources. This article combines process simulation (HSC Chemistry) and life cycle assessment tools to develop life cycle inventories considering declining ore grades scenarios for battery-grade Li2CO3 production from pivotal sources and regions (Salar de Atacama - brine and Greenbushes - spodumene). Depending on the ore grades, climate change results range from 5,0 to 25,0 kgCO2eq/kg Li2CO3 for brine and from 17,1 to 22,3 kgCO2eq/kg Li2CO3 for spodumene. Water consumption for brine varies from 0,2 to 7,7 m3/kg Li2CO3, depending on flow accounting, while for spodumene, it ranges from 0,2 to 0,5 m3/kg Li2CO3. The research shows that decreasing ore grade can lead to a fivefold increase in the carbon footprint for brine-based production and a 1.3-fold increase for spodumene. This underscores the importance of decarbonizing energy provision for lithium production to guarantee a sustainable battery supply chain. This research offers insights into using process simulation to enhance existing LCA studies in the raw materials industry and further develop inventory datasets, considering variations such as deposit ore grades.

Hygroscopicity in Epoxy Powder Composites

Epoxy powders offer a low-cost way of manufacturing thick-section composite parts, such as those found in wind and tidal turbines. Currently, their processing cycle includes a lengthy drying stage (≥15 h) to remove ambient moisture. This drying stage prevents void defect formation and, thereby, a reduction in mechanical properties; however, it constitutes up to 60% of the processing time. Little research has been published which studies the drying stage or its optimisation. In the present work, experimental and simulated analyses are used to investigate the effects of hygroscopicity in epoxy powder composites. Tests are performed to quantify the void content of dried and undried laminates and to measure its impact on transverse flexural strength. Dynamic vapour sorption analysis is used to study the sorption behaviour of the epoxy powder. It is shown that the epoxy powder is slightly hygroscopic (1.36 wt%) and exhibits sorption behaviour that is characteristic of glassy polymers. This results in up to 4.8% voids (by volume) if processed in an undried state, leading to a 43% reduction in transverse flexural strength. A modified linear driving force model is fitted to the desorption data and then implemented in existing process-simulation tools. The drying of a thick epoxy powder composite section is simulated to investigate the influence of powder sintering on the duration of the drying stage. Process simulations reveal that a standard drying cycle prematurely sinters the powder, which inhibits moisture release. By maintaining the powder state, simulations show that the drying cycle can be reduced to 5 h.

Energy and economic analysis of alternatives for the valorization of hydrogen rich stream produced in the aqueous phase reforming of pyrolysis bio-oil aqueous fraction

Aqueous phase reforming has been explored for renewable H2 production from waste biomass. Promising results have been reported for pyrolysis bio-oil aqueous fractions (AFB), but economical assessments are needed to determine process feasibility, which requires both energy consumption minimization and optimal H2 valorization. This work compares different alternatives using process simulation and economic evaluation computational tools. Experimental results and a specific thermodynamic model are used to set mass balances. An adequate heat integration allows to reduce the process energy demand, covering the 100 % of the reactor duty. Optimal H2 unit cost is achieved if part of the produced H2 is valorized for energy self-covering and the rest is commercialized. Renewable H2 net production of c.a. 3.3 kgH2/m3 of treated AFB at a preliminary 1–2 €/kg unit cost is estimated, which can be considered as competitive with green H2, even though a case of diluted AFB is considered.

Optimization and design of a new column sequencing for crude oil distillation at Basrah refinery

Abstract The utilization of distillation stands as a predominant separation method within the chemical and petroleum industries, prominently influencing operational costs and environmental impact due to energy consumption. Enhancing energy efficiency holds paramount significance in elevating the sustainability and overall efficacy of distillation operations. Within this study, we introduce an innovative approach termed “marginal vapor flow (MVF)” to optimize the distillation column sequence for crude oil processing, focusing on the third distillation unit at the Basra Refinery. This research evaluates diverse column designs through streamlined simulations using Aspen HYSYS V11 software. The study determines total energy consumption as a benchmark, comparing it against the optimal sequence recommended by the MVF methodology. A novel application of the downward reduction equation to crude oil guides the selection of light and heavy components. Key findings from this comprehensive analysis showcase the potency of combining MVF with Aspen HYSYS for optimizing crude oil distillation column sequences. Aspen HYSYS, a widely recognized process simulation tool, accurately represents distillation processes. Simultaneously, MVF facilitates the determination of optimal column sequences based on marginal vapor flow rates. Notably, the results reveal that within the studied sequences, sequence 9 exhibits the lowest total MVF of (1393.4 kmol/h), signifying its optimality, while sequence 2 displays the highest total MVF of (4827.3 kmol/h), representing the least favorable scenario. Simulation of the optimal sequence derived through the MVF approach exhibits a remarkable 35% reduction in energy consumption compared to real-life operations. Conversely, simulating the least favorable sequence demonstrates a substantial 32% increase in energy consumption compared to actual operations. This study underscores the pivotal role of MVF methodology in optimizing distillation sequences for enhanced energy efficiency, providing actionable insights for refining operations to significantly reduce energy consumption and operational costs while advancing sustainability goals.

A thermodynamic comparison of membrane-assisted processes for hydrogen production with integrated CO2 capture

The energy efficiency of two novel process designs for the production of ultra-pure hydrogen with simultaneous capture of CO2 using CH4 as the feedstock, namely membrane-assisted chemical looping reforming (MA-CLR) and membrane-assisted sorption-enhanced reforming (MA-SER) has been compared. The modelling of the integrated network for mass and heat balances has been carried out using the ASPEN® Plus V10 process simulation tool to quantify the benefits and disadvantages of integrating hydrogen perm-selective membranes with either chemical looping or sorption-enhanced reforming. The evaluation of the MA-CLR process is carried out for a range of the following operating conditions: 10 < pR < 60 bar, 500 < TR < 900°C, and 1.5 < H2O/CH4 < 3.0. On the other hand, for the MA-SER process the operation ranges of 1.0 < pR < 10 bar, 400 < TR < 900°C, and 2.5 < H2O/CH4 < 4.0 were considered. Within the operation window of the MA-SER process, no carbon formation is observed, as any carbon present in the system reacts with CaO in the form of CO2. However, in the case of the MA-CLR process, carbon formation can occur during the pre-reforming stage, particularly at low H2O/CH4 ratios. In terms of hydrogen yield, energy utilization and carbon capture, the MA-CLR outperforms the MA-SER plant. However, the MA-SER plant offers certain advantages over the MA-CLR system, such as a pure CO2 product stream and lower reactor design temperatures. In the MA-CLR system, a carbon capture rate of 99.8% and a hydrogen product yield of 74.4% are achieved, whereas the MA-SER plant achieves a carbon capture rate of 98.5% and a hydrogen product yield of 69.7%.

Equation-Oriented Modeling and Optimization of a Biorefinery Based on Avocado Waste

Due to the growth in the consumption of avocado in recent years, the amount of waste caused by avocado peel and seed has increased. Avocado waste can be transformed into valuable products such as energy, biofuels, and biological products using integrated processes in a biorefinery. This paper considers the detailed modeling, simulation, and optimization of a biorefinery for the production of phenolic compounds, bioethanol, biological xylitol, syngas, and electrical power from avocado seed and peel, using Aspen Plus in equation-oriented mode as a process simulation tool. For a biorefinery in nominal conditions, it is possible to achieve a gross profit of approximately 30×106 USD/year for capital costs of USD 31.4×106, while the combined effect of process optimization and heat integration allows reaching a gross profit of 37×106 USD/year for capital costs of USD 30.7×106. These results of the optimized plant show its potential to take advantage of avocado seed and peel in a profitable and sustainable way. This detailed equation-based model paves the way for superstructure optimization of a biorefinery for avocado waste processing.

A Novel Circuit-Based Model of Electrodialysis Avoiding the Use of Empirical Parameters

Electrodialysis (ED) is an emerging membrane-based electroseparation technology for desalination, water treatment, and ionic pollutant removal. Compared to conventional separation methods such as reverse osmosis, ED offers several advantages including lower energy consumption, higher selectivity, and lower fouling propensity. Further, coupling ED with renewable electricity sources enables it to be far more sustainable than competing technologies (reverse osmosis and evaporation) across a wide range of scales. However, the design and operation of ED systems are still challenging due to the complex interactions between the membrane, the electrolytes, and the applied electric field. To address this issue, advanced process models are required to provide accurate predictions of ED performance and to guide system optimisation. Existing ED models tend to be highly dependent on empirical parameters and thus are only applicable to a narrow range of process conditions and require several data sets to validate. Therefore, in this work we aimed to develop a glabal model of ED without reliance on experimental training data.Herein, we present a novel circuit-based model for ED. The model considers the membrane stack as a series of resistors, where the membranes and electrolytes are represented as separate resistive elements. Crucially, the membrane resistance is calculated directly from the electrostatic interaction between ions and fixed charge groups, rather than from manufacturer data or empirical sub-model. This allows for consideration of the ion identity and electrolyte concentration when determining the membrane resistance. Ohm's law is used to relate the applied voltage and stack electrical resistance to a current density, which is then converted to a flux using Faraday's law and current efficiency model. Historically, current efficiencies are calculated from transport numbers provided from membrane manufactures and assumed constant. A novel model for the current efficiency has been developed by us in which the current efficiency is a function of the trans-membrane concentration difference. A space-wise material balance is employed to determine the concentration profile along the stack, while a time-wise material balance tracks the changes in reservoir concentration for recirculating batch experiments.To validate the model, desalination experiments were conducted on a PC BED 1-4 recirculating batch system and compared the model predictions with experimental data. The model demonstrated excellent matching on a range of variables across a range of conditions, including current density, current efficiency, and ion concentration.The proposed model has various applications in ED process modelling, optimisation, and economic analysis. It can be used to evaluate the impact of different design parameters such as membrane thickness, membrane charge density, and flow rate on system performance as well as to optimise these.In summary, the circuit-based model presented in this work offers a robust and versatile tool for ED process simulation and optimisation, which can be used for effective and efficiency desalination and water treatment. Two major advancements presented include models for the membrane electrical resistance and current efficiency, which have historically been considered constant. Figure 1

Continuous design and techno-economic assessment of a biorefinery process for heparan sulfate extraction from Nodipecten nodosus viscera waste

This work proposes the design of a biorefinery process, based on pilot plant information, able to convert waste from Nodipecten nodosus viscera into heparan sulfate (HS), a compound with important biological functions, and applications in wound healing, growth factor regulation, and topical formulations for skin damage. Techno-economic assessments might be conducted through process simulation tools to evaluate the feasibility of implementing large-scale biorefineries facilities, even though the feasibility of biowaste-based biorefineries is limited due to fluctuations in feedstock supply and composition. Process modeling, simulation, and cost evaluation were performed considering raising capacities from 6 to 192 t/y, resulting in HS minimum selling price (MSP) of around 10 % of low molecular weight heparin, a potential commercial competitor. Results indicated that increasing the plant capacity leads to a reduction of around 65 % in the MSP, increasing HS commercial attractiveness. Risk analysis shows similar results for the considered scenarios, mainly due to HS selling price but also to CAPEX estimated uncertainties.

Characterization and modelling of the crystallization behavior of PEEK for polymer processing techniques

This study examines the crystallization behavior of high-performance thermoplastics under both isothermal and non-isothermal conditions. The accurate prediction of the crystallization kinetics in conjunction with process simulation tools can create new methods for defining the key process parameters in various polymer processing techniques. By simulating the thermal history of the materials, optimal process parameters can be assigned at specific time points, resulting in a more homogeneous process and improved material properties, while avoiding costly and time-consuming trial-and-error experimentation or post-processing. Here, flash differential scanning calorimetry (DSC) was used to capture the rapid crystallization of Luvocom 3F PEEK 9581 NT, and various isothermal and non-isothermal models were applied to mimic its crystallization behavior, highlighting the differential form of the dual Nakamura model as the most suitable option. To accurately predict the absolute crystallinity, the maximum achievable enthalpy was introduced in the model, and weight factors were assigned to the primary and secondary crystallization mechanisms. The differential form of the model is suitable for efficient implementation in process simulation tools, because it is independent of the total crystallization time. This research has the potential to significantly improve the selection of proper process parameters in complex polymer processing techniques, e.g., material extrusion.

Research on Simulation Technology of Intelligent Manufacturing Scene Operation Mechanism Based on Evolutionary Game Theory

Intelligent manufacturing is a continuously evolving and iteratively improving system engineering that requires long-term adherence and step-by-step implementation. The continuous process changes during scenario iteration have stimulated the demand for process simulation tools in intelligent manufacturing management processes. However, currently, existing tools mostly simulate process coherence and rarely simulate and verify the stability of the process. Accordingly, the article proposes a construction idea for an intelligent manufacturing scenario iteration management platform and combines the analysis of scenario innovation entities and strategies to innovate the simulation method of scenario innovation operation mechanism based on evolutionary game models, improve the comprehensiveness of simulation, and support the continuous iteration of intelligent manufacturing scenarios.

Evaluation of CO2 sources for Power-to-Liquid plants producing Fischer-Tropsch products

In addition to the climate crisis’s looming dangers, Europe was recently affected by profoundly volatile energy markets, entailing soaring inflation and political uncertainty. Power-to-Liquid processes have the potential to curb global warming by valorizing CO2 to produce synthetic fuels and platform chemicals while simultaneously substituting fossil energy imports. The impact of the CO2 source, i.e., cement production, biogas upgrading and solid biomass combustion, on Power-to-Liquid plants was evaluated by implementing the designed configuration, including CO2 capture, solid-oxide electrolyzer, Fischer-Tropsch synthesis and steam reforming, in IPSEpro, a stationary equation-based process simulation tool. Maximum Power-to-Liquid efficiency of 63.8% and maximum carbon efficiency of 88.6% were obtained by exploiting CO2 emitted by a biogas upgrading unit. Solid-oxide electrolyzers ranging from 23 MWel. (biogas) to 504 MWel. (cement) are required to process CO2 streams from 4.5 to 100 t/h. In addition, the mass and energy balances of the three considered configurations were determined and embedded in a process flow diagram. The presented study aims to facilitate future decisions concerning carbon capture and utilization policy by assessing the CO2 source’s influence on Power-to-Liquid plants’ key performance indicators. Furthermore, the underlying work supports a sustainable realization of Power-to-Liquid plants by offering a framework for exploiting CO2 sources.

Coupling biogas upgrading and carbon capture and utilization for enhanced environmental performance of water reclamation plants

One of the primary sources of greenhouse gas (GHG) emissions in water reclamation plants is the anaerobic digestion process, which releases a significant amount of biogas. Today, wastewater treatment operators face immense pressure to find solutions that reduce the GHG emissions associated with this process. This paper proposes a conceptual design for a plant that couples biogas upgrading and carbon capture and utilization to mitigate GHG emissions from biogas release at a water reclamation facility in Singapore. A comprehensive model of the plant is first developed using a process simulation tool to assess its technical feasibility. Next, the plant’s economic and environmental implications are evaluated by calculating the net carbon abated, operating cost, and carbon abated cost. The results indicate that the plant has the potential to reduce GHG emissions by 84–90%, depending on the type of hydrogen used (gray, blue, or green). Although the plant exhibits a negative cash flow, its operating costs are lower than Singapore’s projected carbon tax rate in 2030, except in the scenario where green hydrogen is used. Overall, the study demonstrates the technical, economic, and environmental viability of the plant for reducing GHG emissions from water reclamation facilities.

Integrated property predictions during casting and heat treatment of Al-Si-Cu-Mg alloys by precipitation simulation

The production and manufacture of aluminium castings typically involves multiple heat treatment process steps. Simulation tools are very useful to help predict the evolution of mechanical properties, to improve process parameters and as a guideline for casting design. In this study, a kinetic model, based on Nucleation and Growth Theory (CNGT), was developed and implemented for modelling heat treatment in a casting process simulation tool. Starting from information generated from the simulation of solidification and cooling of the casting, simulation was carried out to predict further precipitation behaviour of multiple Cu or Mg-Si -containing phases during solution treatment, quenching, and artificial ageing processes in heat treatment of Al alloys. Model validation was carried out within the research cluster “Advance Metals and Processes” in Aachen, Germany. Heat treatments were performed on two different Al-Si-Cu-Mg alloys with different quench methods and at different ageing temperatures. Experimental investigations including atom probe, wavelength dispersive X-ray spectroscopy, and tensile tests were conducted to calibrate and validate the model. The simulations showed good agreement for the studied conditions and a promising modelling approach for integrated simulation of casting and heat treatment for industrial applications.

Rigorous dynamic simulation methodology for scenario-based safety analysis of pressure-swing distillation considering independent protections

Process engineers often assess process safety performance early in the design stage to reduce or eliminate potential hazards cost-effectively. Process simulation tools widely used in design can provide fast and precise hazard evaluation using limited design information. However, there is a knowledge gap on how to build rigorous dynamic process models and how model configurations can affect safety analysis results. This study applied commercial dynamic simulation software, Aspen Dynamics, to address these issues through rigorous dynamic simulations and safety analysis of a two-column pressure-swing distillation with top recycling. The study implements and simulates various layers of protection, including basic process controls, alarms, safety instrumented systems, and pressure relief systems, and evaluates their impact on accident prevention. The hazardous scenarios considered are overpressure and flooding in the distillation columns, and the dynamic responses to a set of deviations such as coolant and steam utility failures and undesired throughput and composition disturbances are investigated. A scenario-based safety analysis is performed to assess the dynamic safety performance and the effectiveness of protection layers. The results indicate that the presented scenario-based dynamic safety analysis methodology is essential for accurately determining dynamic column behaviors, thereby better assisting in determining process safety time and designing effective safety systems.

Thickness variation in contoured composite parts by vacuum infusion

Contoured laminates were produced by vacuum infusion (VI), and thickness variations were monitored dynamically as a function of process parameters. Process simulations were performed using finite element software (PAM-RTM), and predictions of thickness along the length of the laminate were compared with dynamic measurements. Initial simulations approximated the effects of corners on preform deformation and fabric draping behavior. Subsequent modifications to the simulation geometry and material properties were implemented to increase accuracy and more closely match experimental measurements. User-defined geometry (UDG) simulations were used to predict both the maximum corner deviation and the area of corner deviation with greater accuracy. The present study demonstrates a workflow for use of analytical tools to design and control vacuum infusion processes. The workflow leverages process monitoring and modified process simulation tools to provide insight into parametric effects and to guide process modifications to reduce product variability.