Developing ultra- or high-performance liquid chromatography (HPLC) methods for analysis or purification requires significant amounts of material and manpower, and typically involves time-consuming iterative lab-based workflows. This work demonstrates in two case studies that an autonomous HPLC platform coupled with a mechanistic model that self-corrects itself by performing parameter estimation can efficiently develop an optimized HPLC method with minimal experiments (i.e., reduced experimental costs and burden) and manual intervention (i.e., reduced manpower). At the same time, this HPLC platform, referred to as Smart HPLC Robot, can deliver a calibrated mechanistic model that provides valuable insights into method robustness.

This paper introduces a prototype for constructing an edge AI system utilizing the contemporary Machine Learning Operations (MLOps) concept. By employing microcontrollers such as the Raspberry Pi as hardware, our methodology includes data scrubbing and machine learning model deployment on edge devices. Crucially, the MLOps pipeline is fully developed within the ecoKI platform, a research platform for ML/AI applications. In this study, we thoroughly investigate the performance of our ecoKI platform by comparing it with the established Edge Impulse platform. We deployed the ML model with different weight quantization methods, such as FP32 and INT8, to compare accuracy variations and inference speed between these two platforms and quantization strategies on edge devices. In our experiments, we identified that the average accuracy performance of the ecoKI platform is 3.61% better than the edge impulse. Moreover, real-time AI processing on edge devices enables microcontrollers, even those w... [more]

Compartmental models are widely used to simplify the analysis of complex fluid dynamics systems, yet subjective compartment definitions and computational constraints often limit their applicability. The CompArt algorithm introduces an AI-driven framework that automates compartmentalization in Computational Fluid Dynamics (CFD) simulations, optimizing both accuracy and efficiency. By leveraging unsupervised clustering techniques such as Agglomerative Clustering, CompArt identifies coherent flow regions based on velocity and turbulent kinetic energy dissipation rate, ensuring a data-driven, physically consistent segmentation. The methodology integrates a connectivity-based clustering strategy, where compartments are dynamically optimized using the Silhouette score and adjacency matrix. This approach enables the reduction of high-resolution 3D CFD simulations into a network of interconnected sub-systems, significantly lowering computational costs while preserving system heterogeneity. The... [more]

As industries embrace the digitalization of Industry 4.0, the abundance of process data creates new opportunities to optimize industrial control systems. Traditional Proportional-Integral-Derivative (PID) controllers often require manual tuning to address changing conditions. This paper introduces an automated, adaptive PID tuning method using historical data and machine learning for a continuously evolving, data-driven approach. The method centers on training a surrogate model using historical process data to replicate real system behavior under various conditions. This enables safe exploration of control strategies without disrupting live operations. An RL (Reinforcement Learning) agent interacts with the surrogate model to learn optimal control policies, dynamically responding to the plant's state, defined by variables like operational conditions and measured disturbances. The agent adjusts PID parameters in real-time, optimizing metrics such as stability, response time, and energy... [more]

Maintenance is critical for industrial plants to ensure operational reliability and worker safety. In process industries, fouling, the accumulation of solid residues in equipment, poses a significant challenge, causing inefficiencies and productivity losses. Effective modeling of fouling evolution over time is essential for maintenance planning to prevent equipment from operating under suboptimal conditions. Traditional approaches to fouling prediction include equation-based models, which offer high precision but may struggle with continuously changing process boundaries, and machine learning techniques, which are more adaptable but less effective at capturing rapidly evolving trends driven by complex underlying physics. This study introduces an innovative hybrid machine learning approach for predictive maintenance, combining the strengths of both methods. Pressure differential is modeled using an equation-based approach that links pressure data with fouling thickness, while the foulin... [more]

The increasing complexity of industrial biotechnology demands advanced modeling techniques capable of capturing the intricate dynamics of bioreactors. Traditional regression-based and empirical methods often fall short when confronted with the highly nonlinear behavior and limited experimental data characteristic of bioprocesses. Addressing these challenges requires a more intelligent approach—one that leverages domain knowledge to model complex bioprocess dynamics effectively, even with sparse data, while maintaining interpretability and robustness. In this study, we introduce a process-informed, data-driven methodology for modeling the dynamics of industrial bioreactors, leveraging the capabilities of the rising field of Scientific Machine Learning (SciML). Our approach leverages Physics-Informed Neural Networks (PINNs) to seamlessly integrate domain knowledge encoded in physical laws with sparse experimental data and deep learning techniques, enabling precise simulation and modeling... [more]

Industrial process monitoring can benefit from utilizing historical data, providing insights for decision-making and operational efficiency. This study develops a soft-sensor-based approach leveraging multi-fidelity modeling to correct discrepancies between online sensors and laboratory analyses. A Gaussian process-based strategy is used to predict deviations between high-frequency low-fidelity sensor data and less frequent high-fidelity laboratory measurements. By exploring static and dynamic modeling frameworks, we assess their suitability for capturing process dynamics and addressing time-dependent variability. The multi-fidelity soft sensor noticeably improves predictive accuracy, outperforming high-fidelity and low-fidelity methods. This approach demonstrates applicability across various industrial settings where integrating diverse data sources enhances real-time process control and monitoring, reducing reliance on costly laboratory sampling.

In chemical process control, decision-making often involves balancing multiple conflicting objectives, such as maximizing production, minimizing energy consumption, and ensuring process safety. Traditional approaches for multi-objective optimization, such as linear programming and evolutionary algorithms, have proven effective but struggle to adapt in real-time to the dynamic and nonlinear nature of chemical processes. In this paper, we propose a framework that combines Reinforcement Learning (RL) with Multi-Objective Evolutionary Algorithms (MOEAs) to address these challenges. Specifically, we utilize MOEAs, such as NSGA-II, to optimize the parameter space of policy neural networks, resulting in a Pareto front of policies. This Pareto front provides a diverse set of policies that enable operators to dynamically switch control strategies based on real-time system conditions and prioritized objectives. Our proposed methodology is applied to a Controlled Stirred Tank Reactor (CSTR) case... [more]

This study focuses on optimizing production scheduling in multi-product plants with shared resources and costly changeover operations. Specifically, two main challenges are addressed, the unknown changeover behavior of new products and the need for rapid schedule generation after unforeseen events. An innovative framework integrating Machine Learning (ML) techniques with Mixed-Integer Linear Programming (MILP) is proposed for single-stage production processes. Initially, a regression model predicts unknown changeover times based on key product attributes. Then, a representation where distances correlate with changeover times is compiled through multidimensional scaling, allowing constrained clustering to group production orders according to available packing lines. Ultimately, the MILP model generates the production schedule within a constrained solution space, utilizing optimal product-to-line allocation from cluster segmentation. A case study inspired by a Greek construction material... [more]

Process Systems Engineering (PSE) provides the advanced conceptual framework and software tools to formulate and optimise well-considered integrated solutions that could accelerate the sustainability transition within the industrial sector. The landscape of advanced PSE is poised to undertake a considerable transformation with the rise in popularity of open-source and script-based software platforms with predictive modelling capabilities based on modern mathematical optimization techniques. This paper highlights three leading equation-based platforms—IDAES, Modelica, and GEKKO-that are increasingly utilised for the modelling, simulation, and optimisation of complex systems within the advanced PSE domain, alongside the strengths and limitations of each approach. Following this, we present a framework through which emerging techniques within the domain of Software Engineering could be leveraged to address these limitations, with a vision of improving the accessibility and flexibility of... [more]

Real-time carbon accounting is crucial for advancing policies that effectively meet sustainability objectives. This work introduces a carbon tracking tool specifically designed for the European electricity grid. The tool collects hourly data on electricity consumption and generation, cross-border power exchanges, and weather information to assess the real-time environmental effects of electricity use, employing locally-specific emission factors for the generation sources. It utilizes weather data from various stations across Europe to produce week-ahead forecasts of carbon intensity in the grid. Predictions are created using a random forest regressor, integrated within the optimal controller of an operational industrial batch process. This prediction-based optimizer seeks to reduce total emissions tied to the process schedule's electricity consumption by implementing a rolling horizon strategy. By leveraging enhanced energy flexibility, the controller provides significant opportunities... [more]

Process monitoring is essential in industrial settings to ensure system functionality, necessitating the identification and understanding of fault causes. While a substantial body of research focuses on fault detection, fault diagnosis has received significantly less attention. Typically, faults originate either from abnormal instrument behavior, indicating the need for calibration or replacement, or from process faults, signaling a malfunction within the system. A primary objective of this study is to apply the proposed fault diagnosis methodology to a benchmark that closely mirrors real-world conditions. Specifically, we introduce a fault diagnosis framework for a wastewater treatment plant (WWTP) that effectively addresses the challenges posed by imbalanced big data commonly encountered in large-scale systems. In our study, four distinct fault scenarios were investigated: fault-free conditions, process faults only, sensor faults only, and simultaneous sensor and process faults. To e... [more]

The additive manufacturing (AM) field is rapidly expanding, attracting significant scientific attention. This family of processes will be widely used in the evolution of Industry 4.0, particularly in the production of customized components. However, as the complexity and variability of additive manufacturing processes increase, there is an increasing need for advanced techniques to ensure quality control, optimize performance, and reduce production costs. Multiple tests are required to optimize processing variables for specific equipment and processes, to achieve optimum processing conditions. The application of digital twins (DTs) has significantly enhanced the field of additive manufacturing. A digital twin, abbreviated as DT, refers to a computer-generated model that accurately depicts a real-world object, system, or process. A DT comprises the complete additive manufacturing process, from the initial conception phase to the final manufacturing phase. It enables the manufacturing pr... [more]

This article addresses the problem statement and objective by exploring the necessity, scope, and execution of digital transformation in the oil and gas industry from a psychological perspective. It highlights the cognitive barriers faced by non-ICT professionals, which are often overlooked in traditional approaches. The study integrates case studies and empirical evidence from a mixed-methods approach, including qualitative interviews with industry experts and quantitative surveys among employees, to provide a comprehensive understanding of the transformation process. The research emphasizes the integration of psychological theories with practical digital transformation strategies, illustrating key obstacles and solutions. By adopting a holistic approach that incorporates both technological advancements and psychological insights, the study aims to enhance the effectiveness and sustainability of digital transformation efforts. Major contributions include identifying cognitive barriers... [more]

Continuous manufacturing in pharmaceutical industries has shown great promise to achieve process intensification. To better understand and justify such changes to the current status quo, a technoeconomic analysis of a continuous production must be conducted to serve as a predictive decision-making tool for manufacturers. This paper uses PharmaPy, a custom-made Python-based library developed for pharmaceutical flowsheet analysis, to simulate an annual production cycle for a given active pharmaceutical ingredient (API) of varying production volumes for a batch crystallization system and a continuous mixed suspension, mixed product removal (MSMPR) crystallizer. After each system is optimized, the generalized cost drivers, categorized as capital expenses (CAPEX) or operational expenses (OPEX), are compared. Then, a technoeconomic and sustainability cost analysis is done with the process mass intensity (PMI) as a green metric. The results indicate that while the batch system does have an ov... [more]

In this paper, a hybrid heuristic rule-based and deterministic optimization-driven process decision framework is presented for the analysis and optimization of process flowsheets for end-to-end optimal (E2E0) pharmaceutical manufacturing. The framework accommodates various operating modes, such as batch, semi-batch and continuous, for the different unit operations that implement each manufacturing step. To address the challenges associated with solving process synthesis problems using a simulation-optimization approach, heuristic-based process synthesis rules are employed to facilitate the reduction of the superstructure into smaller sub-structures that can be more readily optimized. The practical application of the framework is demonstrated through a case study involving the end-to-end continuous manufacturing of an anti-cancer drug, lomustine. Alternative flowsheet structures are evaluated in terms of the sustainability metric, E-factor while ensuring compliance with the required pro... [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.

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]

The purpose of this article was to develop a method of analyzing the manufacturing process with variables indicating product competitiveness and technological capabilities in metric space as a cognitive source. The presented method will facilitate the identification of key development factors within the manufacturing processes that have the greatest impact on the adaptation of the manufacturing enterprise to Industry 4.0. The presented method of manufacturing process analysis integrates a number of tools (SMART method, brainstorming, BOST analysis, 3 × 3 metrics) that enable the implementation of statistical analysis. The model developed makes it possible to apply known mathematical methods in areas new to them (adaptation in the manufacturing area), which makes it possible to use scientific information in a new way. The versatility of the method allows it to be used in manufacturing companies to identify critical factors in manufacturing processes. A test of the developed method was c... [more]

Strong competition in the automotive industry has required manufacturers to implement lean production, both with methods and techniques specific to Industry 4.0. At the same time, universities must provide graduates with specific skills for applying these new production methods and techniques. In this context, a lean learning factory was developed in the Pitesti University Center that allows students to learn about, experiment with, and research new lean manufacturing methods and techniques as well as Industry 4.0 in an environment similar to that of enterprises. The research presented in this study aimed to identify the minimum number of repetitions necessary to train operators to perform the same assembly operation while working at two differently organized workstations: one classic and the other including digital techniques. Several indicators were considered in our analysis, such as the number of errors, the number of stops, the effective duration of the work cycle, and the percent... [more]

In the wake of Industry 4.0, the ubiquitous internet of things provides big data to potentially quantify the environmental footprint of green products. Further, as the concept of Industry 5.0 emphasizes, the increasing mass customization production makes the product configurations full of individuation and diversification. Driven by these fundamental changes, the design for sustainability of a high-mix low-volume product−service system faces the increasingly deep coupling of technology-driven product solutions and value-driven human-centric goals. The multi-criteria decision making of sustainability issues is prone to fall into the complex, contradictory, fragmented, and opaque flood of information. To this end, this work presents a data-driven quantitative method for the sustainability assessment of product−service systems by integrating analytic hierarchy process (AHP) and data envelopment analysis (DEA) methods to measure the sustainability of customized products and promote the Ind... [more]

In the era of rapid technological advancement and evolving industrial landscapes, embracing the concept of the factory of the future (FoF) is crucial for companies seeking to optimize efficiency, enhance productivity, and stay sustainable. This case study explores the concept of the FoF and its role in driving the energy transition and digital transformation within the automotive sector. By embracing advancements in technology and innovation, these factories aim to establish a smart, sustainable, inclusive, and resilient growth framework. The shift towards hybrid and electric vehicles necessitates significant adjustments in vehicle components and production processes. To achieve this, the adoption of lighter materials becomes imperative, and new technologies such as additive manufacturing (AM) and artificial intelligence (AI) are being adopted, facilitating enhanced efficiency and innovation within the factory environment. An important aspect of this paradigm involves the development a... [more]

In this work, issues of water separation and purification are addressed, where, in order to achieve the desired results, it is necessary to use several disciplines such as classical physics, biotechnology, automatic control, automation, and applications of industry 4.0. Further, the need for comprehensive and automated solutions for rainwater treatment in the agricultural sector is addressed. This research focuses on designing and implementing a system adapted to these needs using Siemens technologies. The methodology ranges from the design of the Piping and Instrumentation Diagram (P&ID) to the implementation of the interface, incorporating Siemens technologies for data acquisition, electrical connections, treatment programming, and PID controller design. The results show significant advances in the development of the system, highlighting the effectiveness of automation and the HMI-PLC human−machine interface in process monitoring and control. These findings support the viability of a... [more]

Companies actively seek innovative tools and methodologies to enhance operations and meet customer demands. Maintenance plays a crucial role in achieving such objectives. This study identifies existing models that combine Lean Philosophy and Industry 4.0 principles to enhance decision-making and activities related to maintenance management. A comprehensive literature review on key concepts of Lean Philosophy and Industry 4.0, as well as an in-depth analysis of existing models that integrate these principles, is performed. An innovative model based on the synergies between Lean Philosophy and Industry 4.0, named the Maintenance Management in Sustainable Operations (MMSO) model, is proposed. A pilot test of the application of the MMSO model on a conveyor belt led to an operational time increase from 82.3% to 87.7%, indicating a notable 6.6% improvement. The MMSO model significantly enhanced maintenance management, facilitating the collection, processing, and visualization of data via int... [more]

The concept of digital twinning is essential for smart manufacturing and cyber-physical systems to be connected to the Metaverse. These digital representations of physical objects can be used for real-time analysis, simulations, and predictive maintenance. A combination of smart manufacturing, Industry 4.0, and the Metaverse can lead to sustainable productivity in industries. This paper presents a practical approach to implementing digital twins of a magnetic forging holder that was designed and manufactured in this project. Thus, this paper makes two important contributions: the first contribution is the manufacturing of the holder, and the second significant contribution is the creation of its digital twin. The holder benefits from a special design and implementation, making it a user-friendly and powerful tool in materials research. More specifically, it can be employed for the thermomechanical influencing of the structure and, hence, the final properties of the materials under deve... [more]