Flexibility is a critical feature of any industrial system as it tells us about the range of conditions under which the system can effectively and safely operate. It is becoming increasingly important as we face greater volatilities in market conditions, diverse customer needs, more stringent safety and environmental regulations, the growing use of resources with varying availability such as renewable energy, and an increased likelihood of disruptions caused by, for example, extreme weather... (ABSTRACT ABBREVIATED)

Managing oil and gas produced water, characterized by hypersalinity and large volumes, presents significant challenges. This paper introduces an advanced optimization framework, PARETO, which offers a novel approach to strategic water management, emphasizing produced water (PW) treatment, quality tracking, quantification of emissions, and environmental justice. This work presents a case study showcasing different produced water management challenges. The PARETO framework demonstrated its effectiveness in optimizing water management strategies in line with environmental sustainability and regulatory compliance.

Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recovery of Lithium and Cobalt from battery recycling, through membrane separation. Our contribution involves proposing a Generalized Disjunctive Programming (GDP) model for the optimal design of a multistage diafiltration cascade for Li-Co separation. By solving the resulting nonconvex mixed-integer nonlinear program model to global optimality, we investigated scalability and solution quality variations with changes in the number of stages and elements per stage. Results demonstrate the computational tractability of the nonlinear GDP formulation for design of membrane separation processes while opening the door for decomposition strategies for multicomponent separation cascades. Future work aims to extend the GDP formulation to account for stage installatio... [more]

Recent advances in process design for solvent-based, post-combustion capture (PCC) processes, such as the Piperazine/Advanced Flash Stripper (PZ/AFS) process, have led to a reduction in the energy required for capture. Even though PCC processes are progressively improving in Technology Readiness Levels (TRL), with a few commercial installations, incorporating carbon capture adds cost to any operation. Hence, cost reduction will be instrumental for proliferation. The aim of this work is to improve process economics through optimization and to identify the parameters in our economic model that have the greatest impact on total cost to build and operate these systems. To that end, we investigated changes to the optimal solution and the corresponding cost of capture considering changes in the price of utilities and solvent. We found that changes in solvent price had the most effect on the cost of capture. However, re-optimizing the designs in the event of price changes did not lead to sign... [more]

The synthesis of energy systems necessitates simultaneous optimization of both design and operation across all components within the energy system. In real-world applications, this synthesis poses a mixed-integer nonlinear programming (MINLP) problem, considering nonlinear behaviours such as investment cost curves and part-load performance. The complexity increases further when seasonal energy storage is involved, as it requires temporal coupling of the full time series. Although numerous solution approaches exist to solve the synthesis problems simplified by linearization, methods for solving a full-scale problem are currently missing. In this work, we introduce a rigorous method, RiNSES4, to manage the nonlinear aspects of energy system synthesis, particularly focusing on long-term time-coupling constraints. RiNSES4 calculates the upper and lower bounds of the initial synthesis problem in two separate branches. The proposed method yields feasible solutions through upper bounds, while... [more]

Thermal separation processes, such as distillation, play a pivotal role in the chemical and petrochemical sectors, constituting a substantial portion of the industrial energy consumption. Consequently, owing to their huge application scales, these processes contribute significantly to greenhouse gas (GHG) emissions. Decarbonizing distillation units could mitigate carbon emissions substantially. Heat Pumps (HP), that recycle lower quality heat from the condenser to the reboiler by electric work present a unique opportunity to electrify distillation systems. In this research we try to answer the following question in the context of multi-component distillation – Do HPs actually reduce the effective fuel consumption or just merely shift the fuel demand from chemical industry to the power plant? If they do, what strategies consume minimum energy? To address these inquiries, we construct various simplified surrogate and shortcut models designed to effectively encapsulate the fundamental phy... [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]

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]

Design problems for process systems engineering applications often require multi-scale modeling integrating detailed process models. Consequently, black-box optimization and surrogate modeling have continued to play a fundamental role in mission-critical design applications. Inherent in surrogate modeling applications, particularly those constrained by “expensive” function evaluations, are the questions of how to properly balance “exploration” and “exploitation” and how to do so while harnessing parallel computing in techniques. We devise and investigate a one-step look-ahead GRASP heuristic for balancing exploration and exploitation in a parallel environment. Computational results reveal that our approach can yield equivalent or superior surrogate quality with near linear scaling in the number of parallel samples.

In this work, we present recent algorithmic and implementation advances of the nonconvex two-stage robust optimization solver PyROS. Our advances include extensions of the scope of PyROS to models with uncertain variable bounds, improvements to the formulations and/or initializations of the various subproblems used by the underlying cutting set algorithm, and extensions to the pre-implemented uncertainty set interfaces. The effectiveness of PyROS is demonstrated through the results of an original benchmarking study on a library of over 8,500 small-scale instances, with variations in the nonlinearities, degree-of-freedom partitioning, uncertainty sets, and polynomial decision rule approximations. To demonstrate the utility of PyROS for large-scale process models, we present the results of a carbon capture case study. Overall, our results highlight the effectiveness of PyROS for obtaining robust solutions to optimization problems with uncertain equality constraints.

Adsorption-based Atmospheric Water Extraction (AWE) is an energy-efficient distributed freshwater supply method. This research focuses on AWE's kinetic analysis and stochastic optimization, investigating the impact of ambient conditions, kinetics, and weather variability. A one-dimensional fixed-bed system was numerically analyzed using the validated isotherm of MIL-100 (Fe), assuming different kinetic parameters within the linear driving force model. Stochastic optimization, based on annual weather data from Georgia (GA), illustrates the influence of weather conditions on AWE process performance, operation, and cost. Our study offers valuable insights for future research, including site selection, adsorbent material development, and process design. We outline three critical areas for further exploration: experimental verification, material screening, and meteorological site selection.

We present new modifications to superstructure optimization paradigms to i) enable their robust solution and ii) extend their applicability. Superstructure optimization of chemical process flowsheets on the basis of rigorous and detailed models of the various unit operations, such as in the state operator network (SON) paradigm, is prone to non-convergence. A key challenge in this optimization-based approach is that when process units are deselected from a superstructure flowsheet, the constraints that represent the deselected process unit can be numerically singular (e.g., divide by zero, logarithm of zero and rank-deficient Jacobian). In this paper, we build upon the recently-proposed modified state operator network (MSON) that systematically eliminates singularities due to unit deselection and is equally applicable to the context of both simulation-based and equation-oriented optimization. A key drawback of the MSON is that it is only applicable to the design of isobaric flowsheets... [more]

The reliable operation of industrial equipment is imperative for ensuring both safety and enhanced production efficiency. Machine learning technology, particularly the Light Gradient Boosting Machine (LightGBM), has emerged as a valuable tool for achieving effective fault warning in industrial settings. Despite its success, the practical application of LightGBM encounters challenges in diverse scenarios, primarily stemming from the multitude of parameters that are intricate and challenging to ascertain, thus constraining computational efficiency and accuracy. In response to these challenges, we propose a novel innovative hybrid algorithm that integrates an Arithmetic Optimization Algorithm (AOA), Simulated Annealing (SA), and new search strategies. This amalgamation is designed to optimize LightGBM hyperparameters more effectively. Subsequently, we seamlessly integrate this hybrid algorithm with LightGBM to formulate a sophisticated fault warning system. Validation through industrial c... [more]

This work explores five falling film evaporator (FFE) simulation approaches combined with energy consumption minimization strategies, namely Mechanical Vapor Recompression and Thermal Vapor Recompression (MVR and TVR, respectively). Global system analysis and advanced dynamic optimization strategies are then investigated to minimize steam consumption, the cost of steam, and the total annualized cost and to maximize product yield. The results indicate that higher TVR discharge pressures, or MVR compression ratios, along with higher feed temperatures, enhance evaporation but increase operational costs. The most economical option includes three evaporator effects with TVR to achieve 50% product dry mass content. However, for a 35% dry mass content, MVR becomes cost-effective with an 11% reduction in unit electricity prices or a simultaneous 7% drop in electricity prices and a 5% increase in gas-based steam prices. Furthermore, switching from milk powder production to milk concentrates lea... [more]

With the rapid development of intelligent manufacturing, the application of virtual reality technology to the optimization of workshop facility layout has become one of the development trends in the manufacturing industry. Virtual reality technology has put forward engineering requirements for real-time solutions to the Workshop Facility Layout Optimization Problem (WFLOP). However, few scholars have researched such solutions. Deep reinforcement learning (DRL) is effective in solving combinatorial optimization problems in real time. The WFLOP is also a combinatorial optimization problem, making it possible for DRL to solve the WFLOP in real time. Therefore, this paper proposes the application of DRL to solve the dual-objective WFLOP. First, this paper constructs a dual-objective WFLOP mathematical model and proposes a novel dual-objective DRL framework. Then, the DRL framework decomposes the WFLOP dual-objective problem into multiple sub-problems and then models each sub-problem. In or... [more]

The increasing use of fossil fuels has raised concerns about rising greenhouse gas emissions. Carbon capture, utilization, and storage (CCUS) is one of the most important technologies for achieving net zero carbon emissions. In oil reservoirs, fully understanding their geological characteristics, fluid characteristics, and pressure distribution and injecting CO2 in a reasonable scheme, some remaining oil can be recovered to improve oil recovery and even obtain certain economic benefits. In this paper, we investigate the effect of CCUS implementation in low-permeability reservoirs from both technical and economic aspects. First, based on the parameters of a low-permeability reservoir, a numerical simulation model of a reservoir with gas injection in a multi-stage fractured horizontal well at the top of the reservoir and oil recovery in a multi-stage fractured horizontal well at the bottom is established. Next, four cases of continuous CO2 injection, intermittent CO2 injection, CO2 injec... [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.

A floatation nozzle can effectively transfer heat and dry without touching the substrate, and serves as a vital component for heat transfer to the substrate. Enhancing the heat transfer performance, and reducing its heat transfer unevenness to the substrate play an important role in improving product quality and reducing thermal stress. In this work, the effects of key structural parameters of the floatation nozzle on the heat transfer mechanism are systematically investigated by means of a numerical simulation of computational fluid dynamics. The findings demonstrate that the secondary vortex structure induced by the floatation nozzle with effusion holes increases heat transfer performance by 254.3% compared with the nozzle without effusion holes. The turbulent kinetic energy and temperature distribution between the jet and the target surface are affected by the jet angle and slit width respectively, which change the heat transfer performance of the float nozzle in different degrees.... [more]

Nanofluid Minimum Quantity Lubrication (NMQL) is a resource-saving, environmentally friendly, and efficient green processing technology. Therefore, this study employs Minimum Quantity Lubrication (MQL) technology to conduct milling operations on aerospace 7050 aluminum alloy using soybean oil infused with varying concentrations of MoS2 and MWCNTs nanoparticles. By measuring cutting forces, cutting temperatures, and surface roughness under three different lubrication conditions (dry machining, Minimum Quantity Lubrication, and nanofluid minimum quantity lubrication), the optimal lubricating oil with the best lubrication performance is selected. Under the conditions of hybrid nanofluid minimum quantity lubrication (NMQL), as compared to dry machining and Minimum Quantity Lubrication (MQL) processing, surface roughness was reduced by 48% and 36% respectively, cutting forces were decreased by 35% and 29% respectively, and cutting temperatures were lowered by 44% and 40%, respectively. Unde... [more]

Injection molding (IM) is an ideal technique for the low-cost mass production of moderately thick plane lenses (MTPLs). However, the optical performance of injection molded MTPL is seriously degraded by the warpage and sink marks induced during the molding process with complex historical thermal field changes. Thus, it is essential that the processing parameters utilized in the molding process are properly assigned. And the challenges are further compounded when considering the MTPL molding energy consumption. This paper presents a set of procedures for the optimization of injection molding process parameters, with warpage, sink marks reflecting the optical performance, and clamping force reflecting the molding energy consumption as the optimization objectives. First, the orthogonal experiment was carried out with the Taguchi method, and the S/N response shows that these three objectives cannot reach the optimal values simultaneously. Second, considering the experimental data scale, th... [more]

Energy consumption forecasting plays an important role in energy management, conservation, and optimization in manufacturing companies. Aiming at the tin smelting process with multiple types of energy consumption and a strong coupling with energy consumption, the traditional prediction model cannot be applied to the multi-output problem. Moreover, the data collection frequency of different processes is inconsistent, resulting in few effective data samples and strong nonlinearity. In this paper, we propose a multi-kernel multi-output support vector regression model optimized based on a differential evolutionary algorithm for the prediction of multiple types of energy consumption in tin smelting. Redundant feature variables are eliminated using the distance correlation coefficient method, multi-kernel learning is introduced to improve the multi-output support vector regression model, and a differential evolutionary algorithm is used to optimize the model hyperparameters. The validity and... [more]

In this paper, in order to reduce the spindle temperature rise and enhance the spindle heat dissipation capability, a top complementary heat conductive path of the spindle based on the IPTO algorithm was designed. In order to verify the heat dissipation effect of the heat conductive path, an experimental test platform was constructed. Experiments on the thermal characteristics of water-cooled and air-cooled heat conductive paths with different volume proportions were conducted to test the temperature rise of the spindle and analyze the effect of the heat conductive path with different volume proportions on the temperature distribution of the spindle. The heat conductive path with the optimal volume proportion was determined and the heat dissipation effect of the heat conductive path was verified.

Damage localization in GFRP (glass-fiber-reinforced polymer) composite plates is a crucial research area in marine engineering. This study introduces a feedback-based damage index (DI) combined with multi-label classification to enhance the accuracy of damage localization and address scenarios involving multiple damages. The research begins with the creation of a modal database for yachts’ GFRP composite plates using finite element modeling (FEM). A method for deriving a feedback-weighted matrix, based on the accuracy of the DI, is then developed. Sensitivity analysis reveals that the feedback DI is 50% more sensitive than the traditional DI, reducing false positives and missed detections. The associated feedback-weighted matrix depends solely on the structural shape, ensuring its transferability. To address the challenge for localizing multiple damages, a multi-label classification approach is proposed. The synergy between the feedback optimization and multi-label classification enabl... [more]

Particle swarm optimization (PSO) has been extensively used to solve practical engineering problems, due to its efficient performance. Although PSO is simple and efficient, it still has the problem of premature convergence. In order to address this shortcoming, an adaptive particle swarm optimization with state-based learning strategy (APSO-SL) is put forward. In APSO-SL, the population distribution evaluation mechanism (PDEM) is used to evaluate the state of the whole population. In contrast to using iterations to just the population state, using the population spatial distribution is more intuitive and accurate. In PDEM, the population center position and best position for calculation are used for calculation, greatly reducing the algorithm’s computational complexity. In addition, an adaptive learning strategy (ALS) has been proposed to avoid the whole population’s premature convergence. In ALS, different learning strategies are adopted according to the population state to ensure the... [more]

This study aims to enhance energy efficiency by reducing parasitic losses in the engine cooling system through a new drive strategy involving a two-stage water pump and a variable electro-fan. The fuel consumption gain analysis focused on a vehicle with average characteristics typical of 1.0L hatchbacks in the Brazilian market and urban driving conditions. The methodology implemented aims to minimize power absorbed by the forced water circulation and thermal rejection, thereby reducing parasitic losses, particularly during low-speed urban driving, without causing air-side heat exchanger saturation. The results show a potential decrease of up to 80% in power absorbed by the cooling system, leading to an estimated fuel consumption saving of approximately 1.4% during urban driving cycles.