This paper presents an overview of the recent developments of modifier-adaptation schemes for real-time optimization of uncertain processes. These schemes have the ability to reach plant optimality upon convergence despite the presence of structural plant-model mismatch. Modifier Adaptation has its origins in the technique of Integrated System Optimization and Parameter Estimation, but differs in the definition of the modifiers and in the fact that no parameter estimation is required. This paper reviews the fundamentals of Modifier Adaptation and provides an overview of several variants and extensions. Furthermore, the paper discusses different methods for estimating the required gradients (or modifiers) from noisy measurements. We also give an overview of the application studies available in the literature. Finally, the paper briefly discusses open issues so as to promote future research in this area.

The expected world population growth by 2050 is likely to pose great challenges in the global food demand and, in turn, in the fertilizer consumption. The Food and Agricultural Organization of the United Nations has forecasted that 46% of this projected growth will be attributed to Africa. This, in turn, raises further concerns about the sustainability of Africa’s contemporary fertilizer production, considering also its high dependence on fertilizer imports. Based on these facts, a novel “green” route for the synthesis of fertilizers has been considered in the context of the African agriculture by means of plasma technology. More precisely, a techno-economic feasibility study has been conducted for a small-scale plasma-assisted nitric acid plant located in Kenya and South Africa with respect to the electricity provision by renewable energy sources. In this study, standalone solar and wind power systems, as well as a hybrid system, have been assessed for two different electricity loads... [more]

In this work, we consider the problem of daily production optimization in the upstream oil and gas domain. The objective is to find the optimal decision variables that utilize the production systems efficiently and maximize the revenue. Typically, mathematical models are used to find the optimal operation in such processes. However, such prediction models are subject to uncertainty that has been often overlooked, and the optimal solution based on nominal models can thus render the solution useless and may lead to infeasibility when implemented. To ensure robust feasibility, worst case optimization may be employed; however, the solution may be rather conservative. Alternatively, we propose the use of scenario-based optimization to reduce the conservativeness. The results of the nominal, worst case and scenario-based optimization are compared and discussed.

Quench hardening is the process of strengthening and hardening ferrous metals and alloys by heating the material to a specific temperature to form austenite (austenitization), followed by rapid cooling (quenching) in water, brine or oil to introduce a hardened phase called martensite. The material is then often tempered to increase toughness, as it may decrease from the quench hardening process. The austenitization process is highly energy-intensive and many of the industrial austenitization furnaces were built and equipped prior to the advent of advanced control strategies and thus use large, sub-optimal amounts of energy. The model computes the energy usage of the furnace and the part temperature profile as a function of time and position within the furnace under temperature feedback control. In this paper, the aforementioned model is used to simulate the furnace for a batch of forty parts under heuristic temperature set points suggested by the operators of the plant. A model predict... [more]

In a previous study, the two nitrifying functions (ammonia oxidizing bacteria (AOB) or nitrite-oxidizing bacteria (NOB)) of a nitrification reactor—operated continuously over 525 days with varying inputs—were assigned using a mathematical modeling approach together with the monitoring of bacterial phylotypes. Based on these theoretical identifications, we develop here a chemostat model that does not explicitly include only the resources’ dynamics (different forms of soluble nitrogen) but also explicitly takes into account microbial inter- and intra-species interactions for the four dominant phylotypes detected in the chemostat. A comparison of the models obtained with and without interactions has shown that such interactions permit the coexistence of two competing ammonium-oxidizing bacteria and two competing nitrite-oxidizing bacteria in competition for ammonium and nitrite, respectively. These interactions are analyzed and discussed.

While academic literature shows steady progress in combining multi-phase computational fluid dynamics (CFD) and population balance modelling (PBM) of emulsification processes, the computational burden of this approach is still too large for routine use in industry. The challenge, thus, is to link a sufficiently detailed flow analysis to the droplet behavior in a way that is both physically relevant and computationally manageable. In this research article we propose the use of single-phase CFD to map out the local maximum stable droplet diameter within a given device, based on well-known academic droplet break-up studies in quasi-steady 2D linear flows. The results of the latter are represented by analytical correlations for the critical capillary number, which are valid across a wide viscosity ratio range. Additionally, we suggest a parameter to assess how good the assumption of quasi-steady 2D flow is locally. The approach is demonstrated for a common lab-scale rotor-stator device (Ul... [more]

The micropipette manipulation technique is capable of making fundamental single particle measurements and analyses. This information is critical for establishing processing parameters in systems such as microfluidics and homogenization. To demonstrate what can be achieved at the single particle level, the micropipette technique was used to form and characterize the encapsulation of Ibuprofen (Ibp) into poly(lactic-co-glycolic acid) (PLGA) microspheres from dichloromethane (DCM) solutions, measuring the loading capacity and solubility limits of Ibp in typical PLGA microspheres. Formed in phosphate buffered saline (PBS), pH 7.4, Ibp/PLGA/DCM microdroplets were uniformly solidified into Ibp/PLGA microparticles up to drug loadings (DL) of 41%. However, at DL 50 wt% and above, microparticles showed a phase separated pattern. Working with single microparticles, we also estimated the dissolution time of pure Ibp microspheres in the buffer or in detergent micelle solutions, as a function of th... [more]

Changing the combustion process of a gas turbine from a constant-pressure to a pressure-increasing approximate constant-volume combustion (aCVC) is one of the most promising ways to increase the efficiency of turbines in the future. In this paper, a newly proposed method to achieve such an aCVC is considered. The so-called shockless explosion combustion (SEC) uses auto-ignition and a fuel stratification to achieve a spatially homogeneous ignition. The homogeneity of the ignition can be adjusted by the mixing of fuel and air. A proper filling profile, however, also depends on changing parameters, such as temperature, that cannot be measured in detail due to the harsh conditions inside the combustion tube. Therefore, a closed-loop control is required to obtain an adequate injection profile and to reject such unknown disturbances. For this, an optimization problem is set up and a novel formulation of a discrete extremum seeking controller is presented. By approximating the cost function w... [more]

Polymer stabilized emulsions are commonplace in industries ranging from cosmetics and foods to pharmaceuticals. Understanding the physical properties of emulsions is of critical importance to the rapid advancement of industrial applications. In this work, we use a sessile drop geometry to examine the effects of viscosity changes of the surrounding glycerine/water solution on polystyrene-b-polyethylene oxide (PS-PEO) covered toluene droplets. In the experiment, emulsion drops are driven by the buoyant force into a smooth mica surface. The drops buckle as they approach the mica, trapping some of the outer fluid which slowly drains out over time. The characteristic time of the drainage process as well as the surface tension was measured as a function of glycerine/water concentration. The surface tension is found to have a minimum at a glycerine concentration of approximately 50% (by weight to water) and the drainage rate is shown to be well described by a recent model. The simple experime... [more]

Modifier adaptation with quadratic approximation (in short MAWQA) can adapt the operating condition of a process to its economic optimum by combining the use of a theoretical process model and of the collected data during process operation. The efficiency of the MAWQA algorithm can be attributed to a well-designed mechanism which ensures the improvement of the economic performance by taking necessary explorative moves. This paper gives a detailed study of the mechanism of performing explorative moves during modifier adaptation with quadratic approximation. The necessity of the explorative moves is theoretically analyzed. Simulation results for the optimization of a hydroformylation process are used to illustrate the efficiency of the MAWQA algorithm over the finite difference based modifier adaptation algorithm.

Conventional high-pressure homogenization (HPH) is widely used in the pharmaceutical, chemical, and food industries among others. In general, its aim is to produce micron or sub-micron scale emulsions with excellent product characteristics. However, its energy consumption is still very high. Additionally, several limitations and boundaries impede the usage of high-pressure homogenization for special products such as particle loaded or highly concentrated systems. This article gives an overview of approaches that have been used in order to improve the conventional high-pressure homogenization process. Emphasis is put on the ‘Simultaneous Emulsification and Mixing’ process that has been developed to broaden the application areas of high-pressure homogenization.

The proper design of RTO systems’ structure and critical diagnosis tools is neglected in commercial RTO software and poorly discussed in the literature. In a previous article, Quelhas et al. (Can J Chem Eng., 2013, 91, 652⁻668) have reviewed the concepts behind the two-step RTO approach and discussed the vulnerabilities of intuitive, experience-based RTO design choices. This work evaluates and analyzes the performance of industrial RTO implementations in the face of real settings regarding the choice of steady-state detection methods and parameters, the choice of adjustable model parameters and selected variables in the model adaptation problem, the convergence determination of optimization techniques, among other aspects, in the presence of real noisy data. Results clearly show the importance of a robust and careful consideration of all aspects of a two-step RTO structure, as well as of the performance evaluation, in order to have a real and undoubted improvement of process operation.

In this paper, we deal with the model-based time-optimal operation of a batch diafiltration process in the presence of membrane fouling. Membrane fouling poses one of the major problems in the field of membrane processes. We model the fouling behavior and estimate its parameters using various methods. Least-squares, least-squares with a moving horizon, recursive least-squares methods and the extended Kalman filter are applied and discussed for the estimation of the fouling behavior on-line during the process run. Model-based optimal non-linear control coupled with parameter estimation is applied in a simulation case study to show the benefits of the proposed approach.

High-pressure homogenisation is a commonly used technique to produce emulsions with droplets in the micro to nano scale. Due to the flow field in the homogenizer, stresses are transferred to the interface between droplets and continuous phase. Cohesive forces within droplets interact with external stresses. To exceed the cohesive forces, high process pressures are necessary, which might cause a complex flow pattern and large flow velocities. Additionally, the pressure drop can induce cavitation. Inline measurements are a challenge, but necessary to understand droplet break-up in a high-pressure homogenizer. Recently, different optical methods have been used to investigate the flow conditions as well as the droplet deformation and break-up in high-pressure homogenisation, such as high speed imaging, particle and micro particle image velocimetry. In this review, those optical measuring methods are considered critically in their applications and limitations, achievable results and further... [more]

Iso-butene is an important material for the production of chemicals and polymers. It can take part in various chemical reactions, such as hydrogenation, oxidation and other additions owing to the presence of a reactive double bond. It is usually obtained as a by-product of a petroleum refinery, by Fluidized Catalytic Cracking (FCC) of naphtha or gas-oil. However, an interesting alternative to iso-butene production is n-butane dehydroisomerization, which allows the direct conversion of n-butane via dehydrogenation and successive isomerization. In this work, a simulation analysis of an integrated membrane system is proposed for the production and recovery of butenes. The dehydroisomerization of n-butane to iso-butene takes place in a membrane reactor where the hydrogen is removed from the reaction side with a Pd/Ag alloys membrane. Afterwards, the retentate and permeate post-processing is performed in membrane separation units for butenes concentration and recovery. Four different proces... [more]

Dense self-supported Pd-alloy membranes are used to selectively separate hydrogen and hydrogen isotopes. In particular, deuterium (D) and tritium (T) are currently identified as the main elements for the sustainability of the nuclear fusion reaction aimed at carbon free power generation. In the fusion nuclear reactors, a breeding blanket produces the tritium that is extracted and purified before being sent to the plasma chamber in order to sustain the fusion reaction. In this work, the application of Pd-alloy membranes has been tested for recovering tritium from a solid breeding blanket through a helium purge stream. Several simulations have been performed in order to optimize the design of a Pd-Ag multi-tube module in terms of geometry, operating parameters, and membrane module configuration (series vs. parallel). The results demonstrate that a pre-concentration stage before the Pd-membrane unit is mandatory because of the very low tritium concentration in the He which leaves the bree... [more]

The body responds to endotoxins by triggering the acute inflammatory response system to eliminate the threat posed by gram-negative bacteria (endotoxin) and restore health. However, an uncontrolled inflammatory response can lead to tissue damage, organ failure, and ultimately death; this is clinically known as sepsis. Mathematical models of acute inflammatory disease have the potential to guide treatment decisions in critically ill patients. In this work, an 8-state (8-D) differential equation model of the acute inflammatory response system to endotoxin challenge was developed. Endotoxin challenges at 3 and 12 mg/kg were administered to rats, and dynamic cytokine data for interleukin (IL)-6, tumor necrosis factor (TNF), and IL-10 were obtained and used to calibrate the model. Evaluation of competing model structures was performed by analyzing model predictions at 3, 6, and 12 mg/kg endotoxin challenges with respect to experimental data from rats. Subsequently, a model predictive contro... [more]

The development of a closed-loop artificial pancreas to regulate the blood glucose concentration of individuals with type 1 diabetes has been a focused area of research for over 50 years, with rapid progress during the past decade. The daily control challenges faced by someone with type 1 diabetes include asymmetric objectives and risks, and one-sided manipulated input action with frequent relatively fast disturbances. The major automation steps toward a closed-loop artificial pancreas include (i) monitoring and overnight alarms for hypoglycemia (low blood glucose); (ii) overnight low glucose suspend (LGS) systems to prevent hypoglycemia; and (iii) fully closed-loop systems that adjust insulin (and perhaps glucagon) to maintain desired blood glucose levels day and night. We focus on the steps that we used to develop and test a probabilistic, risk-based, model predictive control strategy for a fully closed-loop artificial pancreas. We complete the paper by discussing ramifications of le... [more]

This paper reports the findings of a FP7/FCH JU project (ReforCELL) that developed materials (catalysts and membranes) and an advance autothermal membrane reformer for a micro Combined Heat and Power (CHP) system of 5 kWel based on a polymer electrolyte membrane fuel cell (PEMFC). In this project, an active, stable and selective catalyst was developed for the reactions of interest and its production was scaled up to kg scale (TRL5 (TRL: Technology Readiness Level)). Simultaneously, new membranes for gas separation were developed. In particular, dense supported thin palladium-based membranes were developed for hydrogen separation from reactive mixtures. These membranes were successfully scaled up to TRL4 and used in lab-scale reactors for fluidized bed steam methane reforming (SMR) and autothermal reforming (ATR) and in a prototype reactor for ATR. Suitable sealing techniques able to integrate the different membranes in lab-scale and prototype reactors were also developed. The project a... [more]

Since its invention until the 1950s, the iron blast furnace was viewed as a strange ‘black box’. Its operation was largely empirical and much of the information needed for monitoring and control of the process was yet to be known. More complete information was needed concerning the process such as the reduction of iron-bearing raw materials, the distribution of materials throughout the stack, the size, location, and structure of the fusion zone, and the transfer of silicon, sulfur, and carbon to the slag and metal. Hence, to obtain a better understanding of the blast furnace process, some iron-makers came up with the idea of quenching the contents of the furnace following normal operations. This was done in a neutral nitrogen atmosphere. The quenched contents were then sampled for analysis. Thus, this paper was written to discuss such works, spanning from the early 1950s to the 1970s. Care has been taken to include most of their findings and readers who have a fair amount of iron-makin... [more]

Significant increases in processing power, coupled with the miniaturization of processing units operating at low power levels, has motivated the embedding of modern control systems into medical devices. The design of such embedded decision-making strategies for medical applications is driven by multiple crucial factors, such as: (i) guaranteed safety in the presence of exogenous disturbances and unexpected system failures; (ii) constraints on computing resources; (iii) portability and longevity in terms of size and power consumption; and (iv) constraints on manufacturing and maintenance costs. Embedded control systems are especially compelling in the context of modern artificial pancreas systems (AP) used in glucose regulation for patients with type 1 diabetes mellitus (T1DM). Herein, a review of potential embedded control strategies that can be leveraged in a fully-automated and portable AP is presented. Amongst competing controllers, emphasis is provided on model predictive control (... [more]

Operator training simulators (OTS) are software tools for training process operators in large-scale industrial applications. Here, we describe the development, implementation and training of an OTS for a large-scale industrial plant for bioethanol production. The design of the OTS is based on conceptual analysis (previously reported by us in this journal) of various configuration alternatives and training procedures at the plant. In this article, we report on how the conceptual design is used in simulation models and graphical user interfaces and how the design is applied for training of operators in the real plant environment. The results imply that OTS would be time- and cost-efficient tools for application in the biotechnological industry.

A rise in CO₂ and other greenhouse gases’ concentration from gas refinery flares and furnaces in the atmosphere causes environmental problems. In this work, a new process was designed to use waste gas (flue gas and flare gas) of a domestic gas refinery to produce pure hydrogen in a membrane reactor. In particular, the process foresees that the energy and CO₂ content of flue gas can provide the heat of the mixed reforming reaction to convert flare gas into hydrogen. Furthermore, the characteristics of the feed stream were obtained via simulation. Then, an experimental setup was built up to investigate the performance of a membrane reactor allocating an unsupported dense Pd-Ag membrane at the mentioned conditions. In this regard, a Ni/CeO₂ catalyst was loaded in the membrane reformer for mixed reforming reaction, operating at 450 °C, in a pressure range between 100 and 350 kPa and a gas hourly space velocity of around 1000 h−1. The experimental results in terms of methane conversion, hyd... [more]

Gas separation for industrial, energy, and environmental applications requires low energy consumption and small footprint technology to minimize operating and capital costs for the processing of large volumes of gases. Among the separation methods currently being used, like distillation, amine scrubbing, and pressure and temperature swing adsorption, membrane-based gas separation has the potential to meet these demands. The key component, the membrane, must then be engineered to allow for high gas flux, high selectivity, and chemical and mechanical stability at the operating conditions of feed composition, pressure, and temperature. Among the new type of membranes studied that show promising results are the inorganic-based and the metal-organic framework-based mixed-matrix membranes (MOF-MMMs). A MOF is a unique material that offers the possibility of tuning the porosity of a membrane by introducing diffusional channels and forming a compatible interface with the polymer. This review d... [more]

These last few decades, membranes and monoliths have been increasingly used as stationary phases for chromatography. Their fast mass transfer is mainly based on convection, which leads to reduced diffusion, which is usually observed in resins. Nevertheless, poor flow distribution, which causes inefficient binding, remains a major challenge for the development of both membrane and monolith devices. Moreover, the comparison of membranes and monoliths for biomolecule separation has been very poorly investigated. In this paper, the separation of two proteins, bovine serum albumin (BSA) and lactoferrin (LF), with similar sizes, but different isoelectric points, was investigated at a pH of 6.0 with a BSA-LF concentration ratio of 2/1 (2.00 mg·mL−1 BSA and 1.00 mg·mL−1 LF solution) using strong cation exchange membranes and monoliths packed in the same housing, as well as commercialized devices. The feeding flow rate was operated at 12.0 bed volume (BV)/min for all devices. Afterward, bound L... [more]