The (bio-)pharmaceutical industry is facing crossroads in an effort to ramp up its global capacity, while working to meet net-zero targets and to ensure continuous drug supply. Beyond geopolitical challenges faced worldwide, (bio-)pharmaceutical processes have been historically very complex to design, optimise and integrate in a global distribution network that is resilient and adaptable to changes. In this paper we offer a perspective of how Process Systems Engineering (PSE) tools can support and advance (bio-)pharma practices with an outlook towards 3-fold sustainability. The latter is considering three main pillars, namely social (drug supply), economical and environmental sustainability. We discuss PSE contributions that have revolutionised process design in this space, as well as the optimisation of distributions networks in pharmaceuticals. We do this by means of example cases: one on model-based unit operation design and a second one on sustainable supply chain networks in the... [more]

Sustainability and circular economy enclose initiatives to achieve economic systems and industrial value chains by improving resource use, productivity, reuse, recycling, pollution prevention, and minimizing disposed material. However, shifting from the traditional linear economic production system to a circular economy is challenging. One of the most significant hurdles is the absence of sustainable end-of-life (EoL)/manufacturing loops for recycling and recovering material while minimizing negative impacts on human health and the environment. Overcoming these challenges is critical in returning materials to upstream life cycle stage facilities such as manufacturing. Chemical flow analysis (CFA), sustainability evaluation, and process systems engineering (PSE) can supply chemical products and processes performances from environmental, economic, material efficiency, energy footprint, and technology perspectives. These holistic evaluation techniques can improve productivity, source mate... [more]

Sustainability encompasses many wicked problems involving complex interdependencies across social, natural, and engineered systems. We argue holistic multiscale modeling and decision-support frameworks are needed to address multifaceted interdisciplinary aspects of these wicked problems. This review highlights three emerging research areas for artificial intelligence (AI) and machine learning (ML) in molecular-to-systems engineering for sustainability: (1) molecular discovery and materials design, (2) automation and self-driving laboratories, (3) process and systems-of-systems optimization. Recent advances in AI and ML are highlighted in four contemporary application areas in chemical engineering design: (1) equitable energy systems, (2) decarbonizing the power sector, (3) circular economies for critical materials, and (4) next-generation heating and cooling. These examples illustrate how AI and ML enable more sophisticated interdisciplinary multiscale models, faster optimization algor... [more]

The variability of the material properties of steel from different suppliers causes problems in achieving the required surface quality after turning. Therefore, the manufacturer needs to estimate the resulting quality before starting production, especially if it is an expensive, small-batch production from stainless steel. Predictive models will make it possible to estimate the surface roughness from the mechanical properties of steel and thus support decision making about supplier selection or acceptance of a material supply. This research presents a step-by-step decision-making procedure, which enables the trained staff to make quick decisions based on commonly available information in the Mill Test Certificate (MTC). A new multivariate second-order polynomial model and feedforward backpropagation artificial neural network (ANN) models have been developed using input variables from the MTC: Tensile Strength, Yield Strength, Elongation, and Hardness. Models were used to enhance the me... [more]

Aiming at the problem of difficult fault diagnosis work caused by the difficulty of data acquisition of the bearing in the traction part of a coal mining machine, a method of ADAMS simulation and HHT feature extraction of the bearing fault of a coal mining machine is proposed. First of all, take the traction section bearing as the research object, use the virtual prototype in the establishment of the healthy state of coal mining machine traction section model based on the establishment of the bearing inner ring fault, rolling body fault, outer ring fault of the coal mining machine traction section dynamics model, and then after the EMD decomposition, each IMF component of the Hilbert transform, to obtain the signal in the time-frequency plane of the time-frequency joint characteristics, to get the HHT marginal spectra and to different Under different working conditions, the bearing vibration signal features are mined by quantitative feature extraction. Finally, a variety of mainstream... [more]

In the era of Industry 4.0, optimizing the trajectory of intelligent textile robotic arms within cluttered configuration spaces for enhanced operational safety and efficiency has emerged as a pivotal area of research. Traditional path-planning methodologies predominantly employ inverse kinematics. However, the inherent non-uniqueness of these solutions often leads to varied motion patterns in identical settings, potentially leading to convergence issues and hazardous collisions. A further complication arises from an overemphasis on the tool center point, which can cause algorithms to settle into suboptimal solutions. To address these intricacies, our study introduces an innovative path-planning optimization strategy utilizing a model-free, deep reinforcement learning framework guided by inverse kinematics experience. We developed a deep reinforcement learning algorithm for path planning, amalgamating environmental enhancement strategies with multi-information entropy-based geometric op... [more]

The bottomhole pressure is one of the key parameters for oilfield development and decision-making. However, due to factors such as cost and equipment failure, bottomhole pressure data is often lacking. In this paper, we established a GA-XGBoost model to predict the bottomhole pressure in carbonate reservoirs. Firstly, a total of 413 datasets, including daily oil production, daily water production, daily gas production, daily liquid production, daily gas injection rate, gas−oil ratio, and bottomhole pressure, were collected from 14 wells through numerical simulation. The production data were then subjected to standardized preprocessing and dimensionality reduction using a principal component analysis. The data were then split into training, testing, and validation sets with a ratio of 7:2:1. A prediction model for the bottomhole pressure in carbonate reservoirs based on XGBoost was developed. The model parameters were optimized using a genetic algorithm, and the average adjusted R-squar... [more]

This paper presents an approach for optimizing the oil recovery factor by determining initial oil production rates. The proposed method utilizes the Q-learning method and the reservoir simulator (Eclipse 100) to achieve the desired objective. The system identifies the most efficient initial oil production rates by conducting a sufficient number of iterations for various initial oil production rates. To validate the effectiveness of the proposed approach, a case study is conducted using a numerical reservoir model (SPE9) with simplified configurations of two producer wells and one injection well. The simulation results highlight the capabilities of the Q-learning method in assisting reservoir engineers by enhancing the recommended initial rates.

This study reports a novel hybrid model for the prediction of six critical process variables of importance in an industrial-scale FCC (fluid catalytic cracking) riser reactor: vacuum gas oil (VGO) conversion, outlet riser temperature, light cycle oil (LCO), gasoline, light gases, and coke yields. The proposed model is developed via the integration of a computational particle-fluid dynamics (CPFD) methodology with artificial intelligence (AI). The adopted methodology solves the first principle model (FPM) equations numerically using the CPFD Barracuda Virtual Reactor 22.0® software. Based on 216 of these CPFD simulations, the performance of an industrial-scale FCC riser reactor unit was assessed using VGO catalytic cracking kinetics developed at CREC-UWO. The dataset obtained with CPFD is employed for the training and testing of a machine learning (ML) algorithm. This algorithm is based on a multiple output feedforward neural network (FNN) selected to allow one to establish correlations... [more]

A photovoltaic (PV)-powered electric motor is used for hose-drawn traveler driving instead of a water turbine to achieve high transmission efficiency. PV power generation (PVPG) is affected by different meteorological conditions, resulting in different power generation of PV panels for a hose-drawn traveler. In the above situation, the hose-drawn traveler may experience deficit power generation. The reasonable determination of the PV panel capacity is crucial. Predicting the PVPG is a prerequisite for the reasonable determination of the PV panel capacity. Therefore, it is essential to develop a method for accurately predicting PVPG. Extreme gradient boosting (XGBoost) is currently an outstanding machine learning model for prediction performance, but its hyperparameters are difficult to set. Thus, the XGBoost model based on particle swarm optimization (PSO-XGBoost) is applied for PV power prediction in this study. The PSO algorithm is introduced to optimize hyperparameters in XGBoost mo... [more]

This paper presents a detailed analysis of the relation between physical characteristics and defects of green coffee beans and the sensory profile that influence the sensory notes of fragrance, aroma, flavor, and aftertaste of coffee. Machine learning models were used to identify the variables of importance and identify the ways in which these variables affect the sensory note of coffee, to determine which algorithm and its hyperparameters have greater precision in determining the sensory values of coffee such as floral, fruity, herbal, nutty, caramel, chocolate, spicy, resinous, pyrolytic, earthy, fermented, and phenolic. The result indicates the relationship and importance that exist between the physical variables, defects, and size of the green coffee bean, with respect to their respective sensory notes. The data of the proposed system demonstrate that by combining the scores of several experts, a precision can be achieved analogously to that obtained by cupping experts; therefore,... [more]

Aroma partitioning in food is a challenging area of research due to the contribution of several physical and chemical factors that affect the binding and release of aroma in food matrices. The partition coefficient measured by the Kmg value refers to the partition coefficient that describes how aroma compounds distribute themselves between matrices and a gas phase, such as between different components of a food matrix and air. This study introduces a regression approach to predict the Kmg value of aroma compounds of a wide range of physicochemical properties in dairy matrices representing products of different compositions and/or processing. The approach consists of data cleaning, grouping based on the temperature of Kmg analysis, pre-processing (log transformation and normalization), and, finally, the development and evaluation of prediction models with regression methods. We compared regression analysis with linear regression (LR) to five machine-learning-based regression algorithms:... [more]

This paper presents a comprehensive review of the historical development, the current state of the art, and prospects of data-driven approaches for industrial process monitoring. The subject covers a vast and diverse range of works, which are compiled and critically evaluated based on the different perspectives they provide. Data-driven modeling techniques are surveyed and categorized into two main groups: multivariate statistics and machine learning. Representative models, namely principal component analysis, partial least squares and artificial neural networks, are detailed in a didactic manner. Topics not typically covered by other reviews, such as process data exploration and treatment, software and benchmarks availability, and real-world industrial implementations, are thoroughly analyzed. Finally, future research perspectives are discussed, covering aspects related to system performance, the significance and usefulness of the approaches, and the development environment. This work... [more]

Petroleum production forecasting involves the anticipation of fluid production from wells based on historical data. Compared to traditional empirical, statistical, or reservoir simulation-based models, machine learning techniques leverage inherent relationships among historical dynamic data to predict future production. These methods are characterized by readily available parameters, fast computational speeds, high precision, and time−cost advantages, making them widely applicable in oilfield production. In this study, time series forecast models utilizing robust and efficient machine learning techniques are formulated for the prediction of production. We have fused the two-stage data preprocessing methods and the attention mechanism into the temporal convolutional network-gated recurrent unit (TCN-GRU) model. Firstly, the random forest (RF) algorithm is employed to extract key dynamic production features that influence output, serving to reduce data dimensionality and mitigate overfit... [more]

Rare earth elements (REEs including Sc, Y) are critical minerals for developing sustainable energy sources. The gradual transition adopted in developed and developing countries to meet energy targets has propelled the need for REEs in addition to critical metals (CMs). The rise in demand which has propelled REEs into the spotlight is driven by the crucial role these REEs play in technologies that aim to reduce our carbon footprint in the atmosphere. Regarding decarbonized technologies in the energy sector, REEs are widely applied for use in NdFeB permanent magnets, which are crucial parts of wind turbines and motors of electric vehicles. The underlying motive behind exploring the energy and carbon footprint caused by REEs production is to provide a more complete context and rationale for REEs usage that is more holistic. Incorporating artificial intelligence (AI)/machine learning (ML) models with empirical approaches aids in flowsheet validation, and thus, it presents a vivid holistic... [more]

The inherent volatility of PV power introduces unpredictability to the power system, necessitating accurate forecasting of power generation. In this study, a machine learning (ML) model based on Gaussian process regression (GPR) for short-term PV power output forecasting is proposed. With its benefits in handling nonlinear relationships, estimating uncertainty, and generating probabilistic forecasts, GPR is an appropriate approach for addressing the problems caused by PV power generation’s irregularity. Additionally, Bayesian optimization to identify optimal hyper-parameter combinations for the ML model is utilized. The research leverages solar radiation intensity data collected at 60-min and 30-min intervals over periods of 1 year and 6 months, respectively. Comparative analysis reveals that the data set with 60-min intervals performs slightly better than the 30-min intervals data set. The proposed GPR model, coupled with Bayesian optimization, demonstrates superior performance compar... [more]

The Sulige gas field is a typical “three lows” (low permeability, low pressure, and low abundance) tight sandstone gas reservoir, with formation pressures often characterized by abnormally high or low pressures. The complex geological features of the reservoir further deviate from conventional understanding, impacting the effective implementation of wellbore blockage removal measures. Therefore, it is imperative to establish the wellbore blockage mechanism, prediction model, and effective prevention measures for the target area. In this study, based on field data, we first experimentally analyzed the water quality and types of blockage in the target area. Subsequently, utilizing a BP neural network model, we established a model for predicting the risk of wellbore blockage and analyzing mitigation measures in the target reservoir. The model’s prediction results, consistent with on-site actual results, demonstrate its reliability and accuracy. Experimental results show that the water qua... [more]

Assessing oxidation−reduction potential (ORP) is of paramount importance in the efficient management of wastewater within both chemical and biological treatment processes. However, despite its critical role, insufficient information exists about how reactive chemical species generated by cold plasma (CP) in chemical treatment are associated with ORP and air flow rate. Therefore, we aim to identify the correlation between ORP and the removal of organic pollutants when using CP treatment. Additionally, we introduce a machine-learning-based operation to predict removal efficiency in the CP process. Results reveal a significant correlation of over 0.9 between real-time ORP and total organic carbon (TOC), which underscores the efficacy of ORP as a key parameter. This approach made it possible to control OH radical generation by regulating the air flow rate of the CP. This study posits that smart management facilitated by machine learning has the potential to enhance the economic viability o... [more]

Vacuum is an important parameter in cutter suction dredging operations because the equipment is underwater and can easily fail. It is necessary to analyze other parameters related to the vacuum to make real-time predictions about it, which can improve the construction efficiency of the dredger under abnormal working conditions. In this paper, a data-driven method for predicting the vacuum of the underwater pump of the cutter suction dredger (CSD) is proposed with the help of big data, machine learning, data mining, and other technologies, and based on the historical data of “Hua An Long” CSD. The method eliminates anomalous data, standardizes the data set, and then relies on theory and engineering experience to achieve feature extraction using the Spearman correlation coefficient. Then, six machine learning methods were employed in this study to train and predict the data set, namely, lasso regression (lasso), elastic network (Enet), gradient boosting decision tree (including tradition... [more]

This paper introduces a novel and cost-effective method for detecting adulterated diesel, specifically targeting contamination with kerosene, by leveraging machine learning and the refractive index values of mixed diesel samples. It proposes a laser-based sensor, employing COMSOL simulations for synthetic data generation to facilitate machine learning training. This innovative approach not only streamlines the detection process by eliminating the need for expensive equipment and specialized personnel but also enables on-site testing without extensive sample preparation. The sensor’s design, utilizing light refraction and reflection principles, allows for the accurate measurement of diesel adulteration levels. Validation results showcase the machine learning models’ high precision in predicting adulteration percentages, as evidenced by an R-squared value of 0.999 and a mean absolute error of 0.074. This research signifies a leap in sensor technology, offering a practical solution for ra... [more]

The transition from batch to continuous production in the catalytic hydrogenation of nitrile butadiene rubber (NBR) into hydrogenated NBR (HNBR) marks a significant advance for applications under demanding conditions. This study introduces a continuous process utilizing a static mixer (SM) reactor, which notably achieves a hydrogenation conversion rate exceeding 97%. We thoroughly review a mechanistic model of the SM reactor to elucidate the internal dynamics governing the hydrogenation process and address the inherent uncertainties in key parameters such as the Peclet number (Pe), dimensionless time (θτ), reaction coefficient (R), and flow rate coefficient (q). A comprehensive dataset generated from varied parameter values serves as the basis for training an artificial neural network (ANN), which is then compared against traditional models including linear regression, decision tree, and random forest in terms of efficacy. Our results clearly demonstrate the ANN’s superiority in predic... [more]

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]

The precise control of a greenhouse environment is vital in production. Currently, environmental control in traditional greenhouse production relies on experience, making it challenging to accurately control it, leading to environmental stress, resource waste, and pollution. Hence, this paper proposes a decision-making greenhouse environment control strategy that employs an existing monitoring system and intelligent algorithms to enhance greenhouse productivity and reduce costs. Specifically, a model library is created based on machine learning algorithms, and an intelligent optimization algorithm is designed based on the Non-Dominated Sorting Genetic Algorithm III (NSGA-3) and an expert experience knowledge base. Then, optimal environmental decision-making solutions under different greenhouse environments are obtained by adjusting the greenhouse environmental parameters. Our method’s effectiveness is verified through a simulated fertilization plan that was simulated for a real greenho... [more]

Abnormal conditions greatly reduce the efficiency of hydraulic fracturing of unconventional gas reservoirs. Optimizing the fracturing scheme is crucial to minimize the likelihood of abnormal operational conditions, such as pressure channeling, casing deformation, and proppant plugging. This paper proposes a novel machine learning-based method for optimizing abnormal conditions during hydraulic fracturing of unconventional natural gas reservoirs. Firstly, the main controlling factors of abnormal conditions are selected through a hybrid controlling analysis, upon which a surrogate model is established for predicting the occurrence probability of abnormal conditions, rather than whether abnormal conditions happen or not. Subsequently, a machine learning-based optimization algorithm is developed to minimize the occurrence probability of abnormal conditions, acknowledging their inevitability during the fracturing process. The optimal results demonstrate the proposed method outperforms tradi... [more]

This paper proposes an AI-assisted approach aimed at accelerating chemical process design through causal incremental reinforcement learning (CIRL) where an intelligent agent is interacting iteratively with a process simulation environment (e.g., Aspen HYSYS, DWSIM, etc.). The proposed approach is based on an incremental learnable optimizer capable of guiding multi-objective optimization towards optimal design variable configurations, depending on several factors including the problem complexity, selected RL algorithm and hyperparameters tuning. One advantage of this approach is that the agent-simulator interaction significantly reduces the vast search space of design variables, leading to an accelerated and optimized design process. This is a generic causal approach that enables the exploration of new process configurations and provides actionable insights to designers to improve not only the process design but also the design process across various applications. The approach was valid... [more]