Parallel computing has been developed for many years in chemical process simulation. However, existing research on parallel computing in dynamic simulation cannot take full advantage of computer performance. More and more applications of data-driven methods and increasing complexity in chemical processes need faster dynamic simulators. In this research, we discuss the upper limit of speed-up for dynamic simulation of the chemical process. Then we design a parallel program considering the process model solving sequence and rewrite the General dynamic simulation & optimization system (DSO) with two levels of parallelism, multithreading parallelism and vectorized parallelism. The dependency between subtasks and the characteristic of the hottest subroutines are analyzed. Finally, the accelerating effect of the parallel simulator is tested based on a 500 kt·a−1 ethylbenzene process simulation. A 5-hour process simulation shows that the highest speed-up ratio to the original program is 261%,... [more]

Optimising an existing production plant is a challenging task for companies. Necessary physical test runs disturb running production processes. Simulation models are one opportunity to limit these physical test runs. This is particularly important since today’s fast and intelligent networking opportunities in production systems are in line with the call of Industry 4.0 for substantial and frequent changes. Creating simulation models for those systems requires high effort and in-depth knowledge of production processes. In the current literature, digital twins promise several advantages for production optimisation and can be used to simulate production systems, which reduce necessary physical test runs and related costs. While most companies are not able to create digital twins yet, companies using enterprise resource planning (ERP) systems have the general capability to create digital shadows. This paper presents a concept and a case study for a generic simulation of production systems... [more]

The objective of this paper was to create a mathematical model of vacuum drops in a form that enables the testing of the impact of design parameters of a milking cluster on the values of vacuum drops in the claw. Simulation tests of the milking cluster were conducted, with the use of a simplified model of vacuum drops in the form of a fourth-degree polynomial. Sensitivity analysis and a simulation of a model with a simplified structure of vacuum drops in the claw were carried out. As a result, the impact of the milking machine’s design parameters on the milking process could be analysed. The results showed that a change in the local loss and linear drag coefficient in the long milk duct will have a lower impact on vacuum drops if a smaller flux of inlet air, a higher head of the air/liquid mix, and a higher diameter of the long milk tube are used.

A vast majority of heat exchangers suffer from unwanted deposition of material on the surface, which severely inhibits their performance and thus marks one of the biggest challenges in heat transfer. Despite numerous scientific investigations, prediction and prevention of fouling remain unresolved issues in process engineering and are responsible for large economic losses and environmental damage. This review article focuses specifically on crystallization fouling, providing a comprehensive overview of the state-of-the-art of fouling in heat exchangers. The fundamentals of the topic are discussed, as the term fouling resistance is introduced along with distinct fouling behaviour, observed in laboratory and industrial environments. Insight into subsequent phases of the fouling process is provided, along with the accompanying microscale events. Furthermore, the effects of fluid composition, temperature, flow velocity, surface condition, nucleate boiling and composite fouling are comprehe... [more]

A centralized bioenergy unit was simulated, focusing on optimizing the manure transport chain, installing a centralized biogas plant, operation costs of the process, biogas upgrading, organic fertilizer production, and economic analyses. Comarca Lagunera from northeast Mexico was chosen as a study zone due to the existing number of dairy farms and livestock population (64,000 cattle heads). Two scenarios were analyzed: The first centralized scenario consisted of selecting one unique location for the anaerobic digesters for the 16 farms; the second decentralized scenario consisted of distributing the anaerobic digesters in three locations. Optimal locations were determined using mathematical modeling. The bioenergy unit was designed to process 1600 t/day of dairy manure. Results indicated that biomethane production was a more profitable option than generating electricity with non-purified methane. The amount of biomethane production was 58,756 m3/day. Economic analysis for centralized b... [more]

Biogas is a significant by-product produced in algae processing and may be used for many different applications, not only as a renewable energy carrier but also as a chemical intermediate in integrated algae-based biorefineries. In this work, the reforming of biogas to H2/CO2 mixtures (referred to as SynFeed) as feed for the direct hydrogenation of CO2 to methanol is investigated. Two conventional processes, namely steam methane and autothermal reforming, with upstream CO2 separation from raw biogas are compared to novel concepts of direct biogas bi- and tri-reforming. In addition, downstream CO2 separation from SynFeed using the commercial Selexol process to produce pure H2 and CO2 is considered. The results show that upstream CO2 separation with subsequent steam methane reforming is the most economic process, costing 142.48 €/tSynFeed, and taking into consideration the revenue from excess hydrogen. Bi-reforming is the most expensive process, with a cost of 413.44 €/tSynFeed, due to t... [more]

The dynamic simulation of the continuous catalytic reforming process is of great significance to the performance prediction and optimization of the entire process. In this study, a 34-lumped mechanism model described by differential algebra was established based on the actual process conditions of the continuous catalytic reforming process in China, and an efficient dynamic simulation solution method based on simultaneous equations was proposed. First, a 34-lumped differential−algebraic mechanism model was established based on the basic principles of reforming kinetics, thermodynamics, material balance, and energy balance. Secondly, in order to solve and simulate the mechanism model composed of 144 differential equations and several algebraic equations, the method of finite-element collocation is used to discretize the differential equations and convert them into large-scale, nonlinear programming problems, and the interior point algorithm is used to estimate its parameters and verify... [more]

This research paper evaluates hydrothermal carbonization (HTC) as a possible treatment for sewage sludge, including phosphorus recycling. German governmental requirements force a high number of wastewater treatment plants (WWTP) to recover phosphorus from sewage sludge above limits of 20 g kgTS−1 before further disposal (e.g., co-incineration). The results show that pH reduction has a positive effect on shifting phosphorus to the liquid phase during HTC. Although the experimental results of this research do not yet achieve the necessary phosphorus reduction, various calculations are made to achieve this goal in future experimental studies. In order to be able to assess the energy benefits of HTC, Aspen Plus modeling was used to show the positive impact of implementing this technology in a WWTP. It is shown that the mechanical dewaterability of sewage sludge (SS) increases after HTC enabling energy savings by means of subsequent thermal drying. A heat optimized HTC is able to cut energy... [more]

Formation of a dispersed oil—water flow pattern is a common occurrence in flow lines and pipelines. The capability of predicting the size of droplets, as well as the distribution of dispersed phase volume fraction is of utmost importance for proper design of such systems. The present study aims at modelling dispersed water in oil flows in a horizontal pipe by employing a multi-fluid Eulerian approach along with the population balance model. To this end, momentum and continuity equations are solved for oil and water phases, and the coupling between the phases is achieved by considering the drag, lift, turbulent dispersion, and virtual mass forces. Turbulent effects are modelled by employing the standard k-ε model. Furthermore, a population balance model, based on the method of class, along with the breakup and coalescence kernels is adopted for modelling the droplet size distribution. The obtained numerical results are compared to the experimental data in literature for either the in si... [more]

Researchers must read and understand a large volume of technical papers, including patent documents, to fully grasp the state-of-the-art technological progress in a given domain. Chemical research is particularly challenging with the fast growth of newly registered utility patents (also known as intellectual property or IP) that provide detailed descriptions of the processes used to create a new chemical or a new process to manufacture a known chemical. The researcher must be able to understand the latest patents and literature in order to develop new chemicals and processes that do not infringe on existing claims and processes. This research uses text mining, integrated machine learning, and knowledge visualization techniques to effectively and accurately support the extraction and graphical presentation of chemical processes disclosed in patent documents. The computer framework trains a machine learning model called ALBERT for automatic paragraph text classification. ALBERT separates... [more]

In this paper, the free convective heat transfer of nanofluids in a square cavity is simulated using a numerical method. The angle of the cavity could be changed in the horizontal axis from 0 to 90 degrees. The cavity is exposed under a constant magnetic field. Two opposite walls of the cavity are cold and warm, and the rest of the walls are insulated. On the hot wall, there are two fins with the same wall temperature. The equations were discretized by the finite volume method (FVM) and then solved using the SIMPLE algorithm. Three different fin configurations (straight, inclined and curved) were studied in terms of heat transfer rate and generation of entropy. According to the simulation results, the heat transfer rate was improved by tilting the fins toward the top or bottom of the cavity. At Ra = 105 and Ha = 20, the maximum heat transfer rate was achieved at a cavity inclination of 90° and 45°, respectively, for straight and curved fins. In the horizontal cavity, heat transfer rate... [more]

Global warming is predominantly caused by methane (CH4) and carbon dioxide (CO2) emissions. CH4 is estimated to have a global warming potential (GWP) of 28−36 over 100 years. Its impact on the greenhouse effect cannot be overstated. In this report, a dual-bed eight-step pressure swing adsorption (PSA) process was used to simulate the separation of high-purity CH4 as renewable energy from biogas (36% CO2, 64% CH4, and 100 ppm H2S) in order to meet Taiwan’s natural gas pipeline standards (>95% CH4 with H2S content < 4 ppm). Three selectivity parameters were used to compare the performance of the adsorbents. In the simulation program, the extended Langmuir−Freundlich isotherm was used for calculating the equilibrium adsorption capacity, and the linear driving force model was used to describe the gas adsorption kinetics. After the basic case simulation and design of experiments (DOE) for the laboratory-scale PSA, we obtained a top product CH4 purity of 99.28% with 91.44% recovery and 0.... [more]

Passive grinding is a high-speed rail grinding maintenance strategy, which is completely different from the conventional rail active grinding system. In contrast to active grinding, there is no power to drive the grinding wheel to rotate actively in passive grinding. The passive grinding process is realized only by the cooperation of grinding pressure, relative motion, and deflection angle. Grinding tests for passive grinding can help to improve the passive grinding process specifications and be used for the development of passive grinding wheels. However, most of the known grinding methods are active grinding, while the passive grinding machines and processes are rarely studied. Therefore, a passive grinding test machine was designed to simulate passive grinding in this study. This paper gives a detailed description and explanation of the structure and function of the passive grinding tester. Moreover, the characteristics of the grinding process and parameter settings of the testing m... [more]

A digitalization of business process through utilizing Digital Twins is an approach that assists companies to align themselves with changes of technology development, and accordingly, improve their outcomes. To take full advantage of implementing Digital Twins, the importance of the creative phase role as pillars of this technology on the performance of the other parts and overall outcome should not be overlooked. This research addresses the lack of an integrated framework for setting up the creative phase of digital twins. To design the proper framework, by relying on a qualitative empirical method, an interview with persons who are experts in the Digital Twin area was organized to collect the information about all obvious and hidden aspects of this phase and manifest what kind of entities participate in this phase, what potential challenges and obstacles exist and what solution is effective to overcome them. The structural feature of the proposed framework continuously prepares the s... [more]

By converting bicarbonates via Chlorella vulgaris photosynthesis, one can obtain valuable biofuel products and find a route toward carbon-derived fossil fuel conversion into renewable carbon. In this research, experiments were carried out in the PhotoBioCREC prototype under controlled radiation and high mixing conditions. Sodium bicarbonate (NaHCO3) was supplied as the inorganic carbon-containing species, at different concentrations, in the 18 to 60 mM range. Both the NaHCO3 concentrations and the organic carbon concentrations were quantified periodically during microalgae culture, with the pH being readjusted every day to the 7.00 level. It was found that sodium bicarbonate was converted with a selectivity up to 33.0% ± 2.0 by Chlorella vulgaris. It was also observed that the reaction rate constant for inorganic carbon conversion was 0.26 ± 0.09 day−1, while the maximum reaction rate constant for organic carbon formation was achieved with a 28 mM NaHCO3 concentration and displayed a 1... [more]

Three products hydrocyclone screen (TPHS) can be considered as the combination of a conventional hydrocyclone and a cylindrical screen. In this device, particles are separated based on size under the centrifugal classification coupling screening effect. The objective of this work is to explore the characteristics of fluid flow in TPHS using the computational fluid dynamics (CFD) simulation. The 2 million grid scheme, volume fraction model, and linear pressure−strain Reynolds stress model were utilized to generate the economical grid-independence solution. The pressure profile reveals that the distribution of static pressure was axisymmetric, and its value was reduced with the increasing axial depth. The maximum and minimum were located near the tangential inflection point of the feed inlet and the outlets, respectively. However, local asymmetry was created by the left tangential inlet and the right screen underflow outlet. Furthermore, at the same axial height, the static pressure grad... [more]

In situ leaching (ISL) uranium mining technology is an in situ mining technology in which the chemical solution is injected into the ore-bearing strata through drilling wells, and the solution moves along the ore bed by controlling the hydraulic gradient of the flow field and reacts with the ore to form uranium-bearing solution. To reduce leaching dead angle in the process of leaching, each pumping and injection unit should achieve uniform leaching at the end of production, and appropriate pumping and injection mode should be adopted for pumping and injection wells of each unit in the mining area. In this paper, on the basis of the actual production data of a sandstone uranium mine, we established the unit flow model of ISL uranium mining area by using GMS software. The unit flow balance of 72 boreholes in the whole mining area was analyzed and optimized through the model. The concept of flow microbalance of pumping and injection unit in the mining area is put forward for the first tim... [more]

Natural adsorbents as low-cost materials have been proved efficient for water remediation and have significant capacity for the removal of certain chemicals from wastewater. The present investigation aimed to use Citrullus colocynthis seeds (CCSs) and peels (CCPs) as an efficient natural adsorbent for methylene blue (MB) dye in an aqueous solution. The examined biosorbents were characterized using surface area analyzer (BET), scanning electron microscope (SEM), thermogravimetric analyzer (TGA) and Fourier transform infra-red (FT-IR) spectroscopy. Batch adsorption experiments were conducted to optimize the main factors influencing the biosorption process. The equilibrium data for the adsorption of MB by CCSs were best described by the Langmuir isotherm followed by the Freundlich adsorption isotherms, while the equilibrium data for MB adsorption by CCPs were well fitted by the Langmuir isotherm followed by the Temkin isotherm. Under optimum conditions, the maximum biosorption capacity an... [more]

The deflector and the rod bank are commonly used to optimize flue gas distribution in the original spray tower (OST) of a wet flue gas desulfurization system (WFGD). In this paper, the internal optimization mechanism of the deflector desulfurization spray tower (DST) and the rod bank desulfurization spray tower (RBST) are studied. Based on the Euler−Lagrange method, the standard k-ε turbulence model, an SO2 absorption model and a porous media model, the numerical simulation of the desulfurization spray tower is carried out with the verification of the model rationality. The results show that there are gas-liquid contact intensification effects in DST and RBST. Compared with OST, gas-liquid contact intensification enhances the heat and mass transfer effects of DST and RBST. The temperature difference between inlet and outlet of flue gas increased by 3.3 K and the desulfurization efficiency of DST increased by 1.8%; the pressure drop decreased by 37 Pa. In RBST, the temperature differenc... [more]

With the advent of the first pandemic wave of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), the question arises as to whether the spread of the virus will be controlled by the application of preventive measures or will follow a different course, regardless of the pattern of spread already recorded. These conditions caused by the unprecedented pandemic have highlighted the importance of reliable data from official sources, their complete recording and analysis, and accurate investigation of epidemiological indicators in almost real time. There is an ongoing research demand for reliable and effective modeling of the disease but also the formulation of substantiated views to make optimal decisions for the design of preventive or repressive measures by those responsible for the implementation of policy in favor of the protection of public health. The main objective of the study is to present an innovative data-analysis system of COVID-19 disease progression in Greece and he... [more]

Biopolymers are a promising alternative to petroleum-based plastic raw materials. They are bio-based, non-toxic and degradable under environmental conditions. In addition to the homopolymer poly(3-hydroxybutyrate) (PHB), there are a number of co-polymers that have a broad range of applications and are easier to process in comparison to PHB. The most prominent representative from this group of bio-copolymers is poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV). In this article, we show a new kinetic model that describes the PHBV production from fructose and propionic acid in Cupriavidus necator (C. necator). The developed model is used to analyze the effects of process parameter variations such as the CO2 amount in the exhaust gas and the feed rate. The presented model is a valuable tool to improve the microbial PHBV production process. Due to the coupling of CO2 online measurements in the exhaust gas to the biomass production, the model has the potential to predict the composition an... [more]

The impeller blades of ceramic slurry pumps are usually very thick for the purpose of prolonging the service life. In this paper, numerical simulations and wear test were conducted to investigate the influence of blade thickness on the solid−liquid two-phase flow and impeller wear in a ceramic centrifugal slurry pump. The wear test was conducted for CFD validation. The numerical results show that the incident angles of solid particles increase with increasing blade thickness, which results in larger wrap angles of the solid particle trajectories. The increasing wrap angles of the solid particle trajectories offset the region that the collisions between the blade pressure side and the solid particles side take place towards the impeller exit and lead to more impacts between the solid particles and the blade suction side. The numerical results are in good accordance with the wear pattern of the tested impellers, which demonstrates that the numerical method adopted in this paper is predic... [more]

A numerical study was undertaken of the naturally occurring laminar convective heat transfer from a slender cuboid with a relatively narrow cross-section (square) and an exposed top surface. The cuboid was perpendicularly placed on an adiabatic flat base plate and two types of surface boundary conditions were considered. The slender cuboid was inclined relative to the vertical axis at angles ranging from 0 to 180 degrees. The flow was considered symmetrical along the vertical axis of the slender cuboid. The equations governing the system were numerically solved in terms of dimensionless variables using FLUENT software. From the results obtained, mean Nusselt numbers over the slender cuboid were calculated using parameters such as: the Rayleigh number for heat flux, Ra*; the Rayleigh number, Ra; the slender cuboid dimensionless width, i.e., the ratio of the width to the height of the heated slender cuboid, W = w/h; and the position of the slender cuboid relative to the vertical, φ. Simu... [more]

In order to improve the hydrodynamic performance of hydrofoils, this paper shows excellent hydrodynamic performance according to the flapping motion of fish through the tail fin. The Naca66 hydrofoil is used as the original hydrofoil and the trailing edge flap configuration is added. Ansys-fluent is used to analyze the relationship between the structural parameters (length and angle) of the flap and the hydrodynamic performance of the hydrofoil, the reliability of CFD numerical simulation is verified by PIV experiment. It is found that the hydrofoil, with clockwise rotating short flap, can significantly improve the hydrodynamic performance of a hydrofoil at a small angle of attack; at a high angle of attack, the hydrofoil with counterclockwise flap can increase the critical stall angle and slightly improve the hydrodynamic performance of the hydrofoil. The hydrodynamic performance of hydrofoil with rotatable short flaps reported in this paper can provide valuable information for the de... [more]

Due to the heterogeneous nature of large-scale fermentation processes they cannot be modelled as ideally mixed reactors, and therefore flow models are necessary to accurately represent the processes. Computational fluid dynamics (CFD) is used more and more to derive flow fields for the modelling of bioprocesses, but the computational demands associated with simulation of multiphase systems with biokinetics still limits their wide applicability. Hence, a demand for simpler flow models persists. In this study, an approach to develop data-based flow models in the form of compartment models is presented, which utilizes axial-flow rates obtained from flow-following sensor devices in combination with a proposed procedure for automatic zoning of volume. The approach requires little experimental effort and eliminates the necessity for computational determination of inter-compartmental flow rates and manual zoning. The concept has been demonstrated in a 580 L stirred vessel, of which models hav... [more]