The proposed model focuses on yields and several properties, such as octane number (ON) pre-dictions, in the gasoline production. External streams such as ethanol and methyl terc-butyl ether (MTBE) are imported to the petroleum refinery complementing the gasoline production when boosting ON quality; these imports are considered exogenous independent variables (IVs). On the other hand, numerous trade-offs exist inside the refinery walls (the endogenous IVs) when producing the so-called pure petroleum-refined gasoline (PPRG). These diverse manufacturing IVs (endogenous factors) interplaying with out-of-refinery walls or exogenous options such as ethanol blending and banning MTBE for sustainable liquid fuels are simulated and optimized in NLP problems, whereby linear approaches are proposed in the tailored modeling and optimiza-tion in the search for optimal solutions.

This model uses the kinetic model from Foglers textbook "Elements of Chemical Reaction Engineering" to describe the fermentation of glucose to ethanol.
It is used as a template in the course Green Processes at Berlin University of Applied Science (BHT), where students use it to regress measured data from lab experiments and to design an optimal process.

This document contains digital supplementary material (model validation, flowsheets and detailed simulation/optimisation results) related to the article entitled “Modelling of a Heat Recovery System (HRS) Integrated with Steam Turbine Combined Heat and Power (CHP) Unit in a Petrochemical Plant”, which is part of the peer reviewed conference proceeding of the 35th European Symposium on Computer Aided Process Engineering (ESCAPE 35).

Geothermal energy, recognized as a clean energy source, has attracted widespread attention for its extraction. However, it is located in deep and complex geological formations, presenting a significant challenge to the drilling operations of existing Polycrystalline Diamond Compact (PDC) drill bits. To further understand the rock-breaking mechanism of PDC cutters in deep geological formations and improve rock-breaking efficiency, a finite element model employing the cohesive zone method was developed for a saddle-shaped PDC cutter (SC). This model was validated against experimental simulations, proving its capability to capture real rock crack initiation during the simulation process accurately. By analyzing the formation of cracks under cutting forces, the SC’s rock-breaking mechanism was explored and compared with conventional cutters (CCs), clarifying its advantages. Additionally, the model analyzed the effects of different confined pressures, back rake angles, and structural parame... [more]

Contains 134 original peer-reviewed research articles and 10 extended abstracts submitted to FOCAPD 2024. Subject categories include Invited Plenary and Keynote Submissions, Advances in PSE Design, Design and Emerging Fields, Design and Energy Transitions, Design and Sustainability, and Design Education and Future of Design. The scope is process design as it applies to process systems engineering in chemical engineering, energy systems engineering, and related fields.

Equation-Oriented (EO) modeling techniques have been gaining popularity as an alternative for simulating and optimizing process systems due to their flexibility and ability to leverage state-of-the-art solvers inaccessible to many procedural modeling approaches. Despite these advantages, adopting EO modeling tools remains challenging due to the significant learning curve and effort required to build and solve models. Many techniques are available to help diagnose problems with EO process models and reduce the effort required to create and use them. However, these techniques still need to be integrated into EO modeling environments, and many modelers are unaware of sophisticated EO diagnostic tools. To survey the availability of model diagnostic tools and common workflows, the U.S. Department of Energy’s Institute for the Design of Advanced Energy Systems (IDAES) has conducted user experience interviews of users of the IDAES Integrated Platform (IDAES-IP) for process modeling. The inter... [more]

Utilizing sustainable energy sources is crucial for expanding the range of solutions available to meet the growing energy demand and reducing reliance on environmentally damaging and depleting conventional fuels. Biosolids, a type of biomass, are generated as secondary effluent during wastewater treatment process in municipal and industrial sites. These solids possess the potential to serve as a sustainable energy source due to their richness of carbon. For an extended period, biosolids have been landfilled, even though it can be considered a wasteful use of a precious resource and a possible mean for contamination to the food supply chain. This has served as an extra impetus to investigate the potential for harnessing the capabilities of these substances. While many research studies have looked at different ways to put biomass waste to use, very little has been written on biosolids, especially those derived from industrial sources. This research assesses the feasibility of transformin... [more]

In this paper, we study the design optimization of methanol production with the goal of minimizing methanol production cost. One challenge of methanol production via carbon dioxide (CO2) hydrogenation is the reduction of operating costs. The simulation of methanol production is implemented within the Aspen HYSYS simulator. The feeds are pure hydrogen and captured CO2. The process simulation involves a single reactor and incorporates recycling at a ratio of 0.995. The methanol production cost is determined using an economic analysis. The cost includes capital and operating costs, which are determined through the equations and data from the capital equipment-costing program. The decision variables are the pressure and temperature of the reactor contents. The optimization problem is solved using a derivative-free algorithm, pyBOUND, a Python-based black-box model optimization algorithm that uses random forests (RFs) and multivariate adaptive regression splines (MARS). The predicted minimu... [more]

Within an Industry 4.0 framework, a variety of new considerations are of increasing importance, such as securing processes against cyberattacks on the control systems or utilizing advances in image processing for image-based control. These new technologies impact relationships between process design and control. In this work, we discuss some of these potential relationships, beginning with a discussion of side channel attacks and what they suggest about ways of evaluating plant design and instrumentation selection, along with controller and security schemes, particularly as more data is collected and there is a move toward an industrial Internet of Things. Next, we highlight how the 3D computer graphics software tool set Blender can be utilized to analyze a variety of considerations related to ensuring safety of plant operation and facilitating the design of assemblies with image-based sensing.

This study aims to address the problem of poor synchronous accuracy when facing a time-varying load in conventional load-sensitive synchronous drive systems. The new electro-hydraulic load-sensitive (EHLS) diverter synchronous drive system was proposed by combining the diverter valve and the EHLS synchronous drive system. The variable pressure margin compensation control was proposed to further improve the system’s synchronous control performance. Based on the system control strategy and component mathematical model, the simulation models of the EHLS, EHLS synchronous, and EHLS diverter synchronous drive systems were established using AMESim, respectively, and the synchronous control performance of the systems was obtained. The simulation results show that the EHLS drive system realized the primary functions of the load-sensitive system and could realize the variable load-sensitive pressure margin control. The EHLS synchronous drive system had poor synchronous control accuracy, but var... [more]

The rational structural design of polycrystalline diamond compact (PDC) cutters effectively enhances the performance of drill bits in rock fragmentation and extends their service life. Inspired by bionics, a bionic PDC cutter was designed, taking the mole claw toe, shark tooth, and microscopic biomaterial structures as the bionic prototypes. To verify its rock-breaking effectiveness, the finite element method was employed to compare the rock-breaking processes of the bionic cutter, triangular prism cutter, and axe cutter. The study also investigated the influence of different back rake angles, cutting depths, arc radii, and hydrostatic pressures on rock breaking using the bionic cutter. Prior to this, the accuracy of the finite element model was validated through laboratory tests. Subsequently, a drill bit incorporating all three types of cutters was constructed, and simulations of rock breaking were conducted on a full-sized drill bit. The results demonstrate that the bionic cutter ex... [more]

Remanufacturing processes are one of the key pillars of the so-called closed-cycle economy. Unfortunately, the design and organization of such processes pose a significant problem, due to, among other things, the high variability of the process as a consequence of both the degree of wear and tear and the quality of the remanufactured components. This article presents a method for optimizing the flow of the brake caliper remanufacturing process in the MTO (make-to-order) model. For the optimization process, the system dynamics (SD) method, which belongs to a group of simulation methods, was used. The developed model allows, in particular, the prediction of the number of components at the input to the regeneration process and the method of defining the size of the transport batch and evaluating its impact on the length of the production cycle of the batch of regenerated products. The issues of staffing management at individual positions and the organization of transport operations with v... [more]

With the proportion of renewable energy power in the electricity market gradually increasing, coal-fired power is transforming from primary to basic power, with it providing peak and frequency shaving. However, most current methods for peaking below 50% load have been applied industrially, sacrificing the efficiency of the unit. This is not in line with the goals of energy conservation and emission reduction. Therefore, this study proposes a new preheating-based peaking method. This study experimentally and simulatively explores the flow characteristics, pyrolysis gas law, and NOx emission characteristics of a preheating burner at 40−100% load. The results show that the burner has a significant preheating effect, producing high-temperature char and large amounts of pyrolysis gas. As the load decreases, the burner exit temperature increases, whereas the airflow stiffness decreases. There is little variation in the pyrolysis gas concentration between 40% and 100% loads. The NOx concentra... [more]

Chromatography modeling for simulation is a tool that can help to predict the separation of molecules inside the column. Knowledge of sorption isotherms in chromatography modeling is a crucial step and methods such as frontal analysis or batch are used to obtain sorption isotherm parameters, but they require a significant quantity of samples. This study aims to predict Langmuir isotherm parameters from Surface Plasmon Resonance (SPR) affinity data (requiring less quantity of sample) to simulate metal chelating peptides (MCPs) separation in Immobilized Metal ion Affinity Chromatography (IMAC), thanks to the analogy between both techniques. The validity of simulation was evaluated by comparing the peptide’s simulated retention time with its experimental retention time obtained by IMAC. Results showed that the peptide affinity constant (KA) can be conserved between SPR and IMAC. However, the maximal capacity (qmax) must be adjusted by a correction factor to overcome the geometry differenc... [more]

Sustainability as a concept is present in most aspects of our everyday life, and industry is no exception. Likewise, there is no doubt that the necessity to produce goods in a sustainable way and to ensure that products are sustainable is gaining more and more attention from producers, customers, governments, and various organizations. Understandably, there are several ways to increase the sustainable development of industrial production. One effective tool is simulation, which can have a significant impact on improving environmental, economic, and social sustainability. This paper explores the role of simulation as a powerful scientific and engineering solution in advancing sustainability within industrial ecosystems. Its main scope is to map the existing literature on the usage of simulation as a supportive tool for achieving this goal. For this purpose, a bibliometric analysis was conducted, allowing for tailored insights into the use of simulation in sustainable production.

Particle Swarm Optimization (PSO) algorithms within control structures are a realistic approach; their task is often to predict the optimal control values working with a process model (PM). Owing to numerous numerical integrations of the PM, there is a big computational effort that leads to a large controller execution time. The main motivation of this work is to decrease the computational effort and, consequently, the controller execution time. This paper proposes to replace the PSO predictor with a machine learning model that has “learned” the quasi-optimal behavior of the couple (PSO and PM); the training data are obtained through closed-loop simulations over the control horizon. The new controller should preserve the process’s quasi-optimal control. In identical conditions, the process evolutions must also be quasi-optimal. The multiple linear regression and the regression neural networks were considered the predicting models. This paper first proposes algorithms for collecting and... [more]

This research paper presents a comprehensive study on the combustion of wheat straw pellets in a 10 kW fixed-bed reactor through a Computational Fluid Dynamics (CFDs) simulation and experimental validation. The developed 2D CFDs model in ANSYS meshing simulates the combustion process in ANSYS Fluent software 2021 R2. The investigation evaluates key parameters such as equivalence ratio, heating value, and temperature distribution within the reactor to enhance gas production efficiency. The simulated results, including combustion temperature and produced gases (CO2, CO, CH4), demonstrate a significant agreement with experimental combustion data. The impact of the equivalence ratio on the conversion efficiency and lower heating value (LHV) is systematically explored, revealing that an equivalence ratio of 0.35 is optimal for maximum gas production efficiency. The resulting producer gas composition at this optimum condition includes CO (~27.67%), CH4 (~3.29%), CO2 (~11.09%), H2 (~11.09%),... [more]

In order to optimize the slit/slot geometry design of a bipropellant pintle injector, the impinging spray development of a pintle injector was numerically investigated. The VOF (volume of fluid) and LES (large eddy simulation) methods were employed for an analysis to capture the gas−liquid interface by means of the AMR (adaptive mesh refinement) method. In those simulation cases, different flowrates, slot numbers, pintle diameters, slot thicknesses and slot shapes were compared for an analysis. In a comparison of visualization and quantification, a high flowrate and large pintle diameter were shown to be more positive features for improving the atomization quality and mixing effect. As for the slot parameters and shape, the spray development was mainly determined by the flow proportion between the slit jet and slot jet. The simulation results indicated that dominant slot jets cause a more dispersed spatial distribution, which is more conducive to the subsequent improvement of combustio... [more]

The understanding of the impact of buoyancy-driven flow on the migration of respiratory droplets remains limited. To investigate this phenomenon, the Lagrangian−Eulerian approach (k-ε turbulent model and discrete phase model) was employed to analyze the interaction between buoyancy-driven flow and coughing activity. The simulation approach was validated by simulating a jet problem in water. Although this problem describes the jet penetration in water, the governing equations for this problem are the same as those for coughing activity in the air. The results demonstrated that an umbrella-shaped airflow was generated above a person and a temperature stratification existed in the room. The buoyancy-driven flow significantly altered the dispersion pattern of the droplets. Notably, for large droplets with an initial diameter of 100 μm, the flow in the boundary layer led to an increased deposition time by about five times. Conversely, for small droplets with an initial diameter of 20 μm, th... [more]

Computational fluid dynamics (CFD) has become a widely used tool for predicting hazardous scenarios. The present study aimed to assess CFD prediction applied to LPG containers under heating. Thus, two cylinders, each filled with propane or butane, were experimentally exposed to fire, and the pressure increment was recorded. The results were compared with those provided by a CFD method (Ansys Fluent). The limitations of the method are discussed, and a trend in the error increment and its relation to the reduced temperature increment are presented. The results obtained show that the computational method had a good agreement, with a relative error of 19% at a reduced temperature equal to 2. Furthermore, the method had a better fit with heavier alkanes, as the butane was less influenced by temperature overestimation compared with propane.

The heritage of ancient buildings is an important part of the world’s history and culture, which has extremely rich historical−cultural value and artistic research value. Beijing has a large number of ancient palace buildings, and because of the age of their construction, many of them have problems with varying degrees of peeling and molding on the inner surfaces of the envelope. To solve the problems of damp interiors of palace buildings, a mathematical model of indoor heat and moisture transfer was established based on an ancient wooden palace building in Beijing. The model was validated by fitting the measured and simulated data. And the effects of outdoor relative humidity, soil moisture, wall moisture, and other factors on indoor heat and moisture transfer of ancient buildings were simulated and analyzed via the control variables method. The results showed that the measured and simulated data are within the error range, which verifies the accuracy of the model. And the simulation... [more]

Ship-to-shore connection is an important technological element that reduces air pollution in ports. Therefore, ports install facilities that allow mooring ships to connect to the port distribution network. By 2025, this will be mandatory for all ports in Europe. This can be a challenging task in most ports due to the different frequency of the network and ship frequency. This problem can be solved by the use of grid-forming static frequency converters. This solution also brings some other advantages: The ship is not threatened by high shore short-circuit currents, and the port distribution network is not affected by the character of the ship load. However, frequency converter software must include a droop control algorithm to ensure that voltage deviations do not exceed the allowed limits during transients. Typical frequency converters used for shore connection are those developed as static frequency converters (SFCs). However, those converters were not developed for large power output... [more]

Naturally fractured formations usually have strong heterogeneities. Drilling and production operations in such formations can involve unwanted formation failure risks such as wellbore collapse and wellbore fracturing. This study presents a coupled thermal-hydraulic-mechanical numerical model for near-well stress evolutions during drilling in naturally fractured formations. The evolution of pressure, temperature, and geo-mechanical responses on the wellbore wall and in the near-well region is simulated. The effects of wellbore pressure, internal friction angle, and natural fracture length on formation rock risks are discussed. A failure index is used to quantify the formation rock failure risks. The existence of natural fractures magnifies the heterogeneous system response induced by drilling. Increasing the wellbore pressure from a relatively low value can improve the support for the wellbore wall, which reduces the failure risks caused by shearing. In mechanically weak formations, the... [more]

The landfill barriers effectively prevented the migration of high-concentration pollutants, such as NH4+ and Na+, from the landfills to the surrounding environment. However, due to the high hydraulic head inside the landfill compared to the surrounding environment, NH4+ and Na+ can migrate towards the outside of the landfill barrier with the infiltrating solution, potentially causing harm to the surrounding environment. To address this, saturated mixed soil column samples made of bentonite and Shanghai clay, with bentonite contents of 3% and 10%, were used in this study. Permeability coefficients of the column samples in solutions are obtained by using permeation tests, and using NaCl and NH4Cl solutions with concentrations of 37.4 mmol/L and 74.8 mmol/L, respectively. The concentration-depth result of the column samples after permeation tests was determined using Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES) and Ion Chromatography (ICS-1100). Numerical simulations... [more]

The tremendous and fast green transition in Denmark has initiated the large-scale grid-integration of renewable energy sources, electrification of energy consumption, and establishment of PtX and Energy Islands, setting goals for transmission grid development—such as the establishment of new connections—and for grid reconstruction—such as the extensive substitution of overhead lines (OHLs) with underground cables (UGCs). The share of UGCs in the Danish transmission grid is increasing. Presence of UGC has resulted in that resonances of the harmonic impedance characteristics of the transmission grid are brought within the harmonic order range coinciding with the harmonic emission sources and causing systemwide increase of the harmonic voltage distortion in the 400 kV transmission grid. The transformation of the 400 kV transmission grid has given rise to the need to predict harmonic voltage distortion using simulation models to secure an adequate power quality and support investment decis... [more]