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Records with Keyword: Process Intensification
Optimization of the Production of 1,1-Diethoxybutane by Simulated Moving Bed Reactor
Jasper Spitters, Jonathan C. Gonçalves, Rui P. V. Faria, Alírio E. Rodrigues
October 12, 2022 (v1)
Subject: Optimization
Keywords: 1,1-diethoxybutane, Adsorption, heterogeneous catalysts, Process Intensification, simulated moving bed reactor
Simulated moving bed technology is applied in the field of pharmaceutical, petrochemical and fine chemistry. It shows capability in separating multicomponent mixtures up to high purities. In this work, an attempt was made to optimize the production of 1,1-diethoxybutane (DEB), using the simulated moving bed technology. A fixed bed model is made with good agreement with experimental results. This fixed bed model was expanded to a simulated moving bed model. This model was used to determine the optimum conditions regarding the switching time and flowrates in each section. From this model, the optimum switching time was found to be 2.4 min, and the ratio of liquid flowrate over the solid flowrate in Section 1Section 2Section 3 and Section 4 of the SMBR was found to be 4.24, 1.77, 3.03 and 1.35, respectively. Under those conditions, the productivity was 19.8 kg DEB per liter of adsorbent per day, and the desorbent consumption was 6.1 L of ethanol per kg of DEB. The results were obtained wi... [more]
Shear-Thinning Effect of the Spinning Disc Mixer on Starch Nanoparticle Precipitation
Sahr Sana, Vladimir Zivkovic, Kamelia Boodhoo
July 19, 2021 (v1)
Subject: Materials
Keywords: Process Intensification, shear rate, solvent–antisolvent precipitation, spinning disc, starch nanoparticles, thin films
Spinning disc technology is capable of achieving intensified micromixing within thin liquid films created through large shear rates, typically of the order of 103 s−1, generated by means of fast disc surface rotation. In this study the effect of the high shear on solvent−antisolvent mixing and starch nanoparticle precipitation is reported. Rheological studies of starch solutions at 2% w/v and 4% w/v have demonstrated their shear-thinning behaviour at the large shear rates experienced on the spinning disc surface. The effect of such high shear rate on starch nanoparticle precipitation is investigated alongside solute concentration and several other operating parameters such as flow rate, disc rotational speed, and solvent/antisolvent ratio. A reduction in nanoparticle size has been observed with an increase in starch concentration, although agglomeration was found to be more prevalent amongst these smaller particles particularly at larger flow rates and disc rotational speeds. Micromixi... [more]
Enhancing the Thermal Performance of Slender Packed Beds through Internal Heat Fins
Nico Jurtz, Steffen Flaischlen, Sören C. Scherf, Matthias Kraume, Gregor D. Wehinger
June 21, 2021 (v1)
Keywords: computational fluid dynamics (CFD), Discrete Element Method (DEM), heat fins, heat transfer, packed bed reactor, pressure drop, Process Intensification
Slender packed beds are widely used in the chemical and process industry for heterogeneous catalytic reactions in tube-bundle reactors. Under safety and reaction engineering aspects, good radial heat transfer is of outstanding importance. However, because of local wall effects, the radial heat transport in the vicinity of the reactor wall is hindered. Particle-resolved computational fluid dynamics (CFD) is used to investigate the impact of internal heat fins on the near wall radial heat transport in slender packed beds filled with spherical particles. The simulation results are validated against experimental measurements in terms of particle count and pressure drop. The simulation results show that internal heat fins increase the conductive portion of the radial heat transport close to the reactor wall, leading to an overall increased thermal performance of the system. In a wide flow range (100<Rep<1000), an increase of up to 35% in wall heat transfer coefficient and almost 90% i... [more]
Study on the Nonlinear Dynamics of the Continuous Stirred Tank Reactors
Liangcheng Suo, Jiamin Ren, Zemeng Zhao, Chi Zhai
May 26, 2021 (v1)
Keywords: bifurcation analysis, output multiplicity, Process Intensification, torus dynamics
Chemical processes often exhibit nonlinear dynamics and tend to generate complex state trajectories, which present challenging operational problems due to complexities such as output multiplicity, oscillation, and even chaos. For this reason, a complete knowledge of the static and dynamic nature of these behaviors is required to understand, to operate, to control, and to optimize continuous stirred tank reactors (CSTRs). Through nonlinear analysis, the possibility of output multiplicity, self-sustained oscillation, and torus dynamics are studied in this paper. Specifically, output multiplicity is investigated in a case-by-case basis, and related operation and control strategies are discussed. Bifurcation analysis to identify different dynamic behaviors of a CSTR is also implemented, where operational parameters are identified to obtain self-oscillatory dynamics and possible unsteady-state operation strategy through designing the CSTR as self-sustained periodic. Finally, a discussion on... [more]
Rapid Multi-Objective Optimization of Periodically Operated Processes Based on the Computer-Aided Nonlinear Frequency Response Method
Luka A. Živković, Viktor Milić, Tanja Vidaković-Koch, Menka Petkovska
May 17, 2021 (v1)
Keywords: computer-aided nonlinear frequency response, cost–benefit indicator analysis, dynamic multi-objective optimization, forced periodic regime, Process Intensification
The dynamic optimization of promising forced periodic processes has always been limited by time-consuming and expensive numerical calculations. The Nonlinear Frequency Response (NFR) method removes these limitations by providing excellent estimates of any process performance criteria of interest. Recently, the NFR method evolved to the computer-aided NFR method (cNFR) through a user-friendly software application for the automatic derivation of the functions necessary to estimate process improvement. By combining the cNFR method with standard multi-objective optimization (MOO) techniques, we developed a unique cNFR−MOO methodology for the optimization of periodic operations in the frequency domain. Since the objective functions are defined with entirely algebraic expressions, the dynamic optimization of forced periodic operations is extraordinarily fast. All optimization parameters, i.e., the steady-state point and the forcing parameters (frequency, amplitudes, and phase difference), ar... [more]
Computer-Aided Nonlinear Frequency Response Method for Investigating the Dynamics of Chemical Engineering Systems
Luka A. Živković, Tanja Vidaković-Koch, Menka Petkovska
May 11, 2021 (v1)
Keywords: experimental identification, frequency response functions, nonlinear process dynamics, periodic processes, Process Intensification, process systems engineering
The Nonlinear Frequency Response (NFR) method is a useful Process Systems Engineering tool for developing experimental techniques and periodic processes that exploit the system nonlinearity. The basic and most time-consuming step of the NFR method is the derivation of frequency response functions (FRFs). The computer-aided Nonlinear Frequency Response (cNFR) method, presented in this work, uses a software application for automatic derivation of the FRFs, thus making the NFR analysis much simpler, even for systems with complex dynamics. The cNFR application uses an Excel user-friendly interface for defining the model equations and variables, and MATLAB code which performs analytical derivations. As a result, the cNFR application generates MATLAB files containing the derived FRFs in a symbolic and algebraic vector form. In this paper, the software is explained in detail and illustrated through: (1) analysis of periodic operation of an isothermal continuous stirred-tank reactor with a sim... [more]
Digital Twin for Lyophilization by Process Modeling in Manufacturing of Biologics
Leon S. Klepzig, Alex Juckers, Petra Knerr, Frank Harms, Jochen Strube
April 30, 2021 (v1)
Keywords: biologics, digital twin, lyophilization, manufacturing, model validation, Process Intensification, quality-by-design
Lyophilization stabilizes formulated biologics for storage, transport and application to patients. In process design and operation it is the link between downstream processing and with final formulation to fill and finish. Recent activities in Quality by Design (QbD) have resulted in approaches by regulatory authorities and the need to include Process Analytical Technology (PAT) tools. An approach is outlined to validate a predictive physical-chemical (rigorous) lyophilization process model to act quantitatively as a digital twin in order to allow accelerated process design by modeling and to further-on develop autonomous process optimization and control towards real time release testing. Antibody manufacturing is chosen as a typical example for actual biologics needs. Literature is reviewed and the presented procedure is exemplified to quantitatively and consistently validate the physical-chemical process model with aid of an experimental statistical DOE (design of experiments) in pil... [more]
Classification and Comparison of Dividing Walls for Distillation Columns
Zewei Chen, Rakesh Agrawal
November 11, 2020 (v1)
Keywords: dividing wall column, multicomponent distillation, Process Intensification
A classification method is proposed to classify dividing walls into 5 types. Each type of dividing wall has its unique structural characteristics which impact its total vapor duty, construction complexity and controllability. Based on this classification, a comprehensive guideline to draw optimal dividing wall columns for any n-component distillation is provided.
Solution Polymerization of Acrylic Acid Initiated by Redox Couple Na-PS/Na-MBS: Kinetic Model and Transition to Continuous Process
Federico Florit, Paola Rodrigues Bassam, Alberto Cesana, Giuseppe Storti
November 9, 2020 (v1)
Keywords: free-radical polymerization, Poly(acrylic acid), Process Intensification, reaction model, semi-batch to continuous
This work aims at modeling in detail the polymerization of non-ionized acrylic acid in aqueous solution. The population balances required to evaluate the main average properties of molecular weight were solved by the method of moments. The polymerization process considered is initiated by a persulfate/metabisulfate redox couple and, in particular, the kinetic scheme considers the possible formation of mid-chain radicals and transfer reactions. The proposed model is validated using experimental data collected in a laboratory-scale discontinuous reactor. The developed kinetic model is then used to intensify the discontinuous process by shifting it to a continuous one based on a tubular reactor with intermediate feeds. One of the experimental runs is selected to show how the proposed model can be used to assess the transition from batch to continuous process and allow faster scale-up to industrial scale using a literature approach.
Phenolic Compounds Extraction of Arbutus unedo L.: Process Intensification by Microwave Pretreatment
Agostinho M. R. C. Alexandre, Ana A. Matias, Maria Rosário Bronze, Maria Jose Cocero, Rafael Mato
May 22, 2020 (v1)
Keywords: Arbutus unedo, microwave pretreatment, phenolic compounds, Process Intensification
Arbutus unedo L., commonly known as the strawberry-tree fruit, is an endemic species of the Mediterranean flora. Microwave extraction technology has been considered as a fast and “green” method for the production of extracts rich in bioactive compounds, although the energy consumption is high. To overcome this bottleneck, microwave was used as a pretreatment procedure in short time periods. This technique promotes the burst of intracellular vacuoles leading to an increase in the lixiviation of phenolic compounds. Different approaches were tested, namely a solvent-free irradiation (SFI), a solvent-assisted irradiation (SAI) and a pressurized solvent-assisted irradiation (PSAI). After irradiation, a solid−liquid extraction procedure was performed using a mixture of water and ethanol. A kinetic evaluation of the total phenolic content (TPC) was performed using the Folin−Ciocalteu method. For the total anthocyanin content, a UV-spectrophotometric method was used. HPLC-UV and LC-MS were use... [more]
Modeling, Simulation, and Operability Analysis of a Nonisothermal, Countercurrent, Polymer Membrane Reactor
Brent A. Bishop, Fernando V. Lima
February 12, 2020 (v1)
Keywords: modularity, operability, Process Intensification, process modeling and simulation
As interest in the modularization and intensification of chemical processes continues to grow, more research must be directed towards the modeling and analysis of these units. Intensified process units such as polymer membrane reactors pose unique challenges pertaining to design and operation that have not been fully addressed. In this work, a novel approach for modeling membrane reactors is developed in AVEVA’s Simcentral Simulation Platform. The produced model allows for the simulation of polymer membrane reactors under nonisothermal and countercurrent operation for the first time. This model is then applied to generate an operability mapping to study how operating points translate to overall unit performance. This work demonstrates how operability analyses can be used to identify areas of improvement in membrane reactor design, other than just using operability mapping studies to identify optimal input conditions. The performed analysis enables the quantification of the Pareto front... [more]
Plant and Biomass Extraction and Valorisation under Hydrodynamic Cavitation
Zhilin Wu, Daniele F. Ferreira, Daniele Crudo, Valentina Bosco, Livio Stevanato, Annalisa Costale, Giancarlo Cravotto
January 19, 2020 (v1)
Keywords: biomass treatment, hydrodynamic cavitation, plant extraction, Process Intensification, rotor/stator hydrodynamic rector
Hydrodynamic cavitation (HC) is a green technology that has been successfully used to intensify a number of process. The cavitation phenomenon is responsible for many effects, including improvements in mass transfer rates and effective cell-wall rupture, leading to matrix disintegration. HC is a promising strategy for extraction processes and provides the fast and efficient recovery of valuable compounds from plants and biomass with high quality. It is a simple method with high energy efficiency that shows great potential for large-scale operations. This review presents a general discussion of the mechanisms of HC, its advantages, different reactor configurations, its applications in the extraction of bioactive compounds from plants, lipids from algal biomass and delignification of lignocellulosic biomass, and a case study in which the HC extraction of basil leftovers is compared with that of other extraction methods.
Distinct and Quantitative Validation Method for Predictive Process Modelling in Preparative Chromatography of Synthetic and Bio-Based Feed Mixtures Following a Quality-by-Design (QbD) Approach
Steffen Zobel-Roos, Mourad Mouellef, Reinhard Ditz, Jochen Strube
November 24, 2019 (v1)
Keywords: biologics, continuous bioprocessing, manufacturing, Modelling, modular plants, Process Intensification, regulated industry
Process development, especially in regulated industries, where quality-by-design approaches have become a prerequisite, is cost intensive and time consuming. A main factor is the large number of experiments needed. Process modelling can reduce this number significantly by replacing experiments with simulations. However, this requires a validated model. In this paper, a process and model development workflow is presented, which focuses on implementing, parameterizing, and validating the model in four steps. The presented methods are laid out to gain, create, or generate the maximum information and process knowledge needed for successful process development. This includes design of experiments and statistical evaluations showing process robustness, sensitivity of target values to process parameters, and correlations between process and target values. Two case studies are presented. An ion exchange capture step for monoclonal antibodies focusing on high accuracy and low feed consumption;... [more]
Accelerating Biologics Manufacturing by Upstream Process Modelling
Martin Kornecki, Jochen Strube
July 25, 2019 (v1)
Subject: Biosystems
Keywords: biologics, manufacturing, Modelling, Monod kinetics, Process Intensification, upstream processing
Intensified and accelerated development processes are being demanded by the market, as innovative biopharmaceuticals such as virus-like particles, exosomes, cell and gene therapy, as well as recombinant proteins and peptides will possess no available platform approach. Therefore, methods that are able to accelerate this development are preferred. Especially, physicochemical rigorous process models, based on all relevant effects of fluid dynamics, phase equilibrium, and mass transfer, can be predictive, if the model is verified and distinctly quantitatively validated. In this approach, a macroscopic kinetic model based on Monod kinetics for mammalian cell cultivation is developed and verified according to a general valid model validation workflow. The macroscopic model is verified and validated on the basis of four decision criteria (plausibility, sensitivity, accuracy and precision as well as equality). The process model workflow is subjected to a case study, comprising a Chinese hamst... [more]
Accelerating Biologics Manufacturing by Modeling or: Is Approval under the QbD and PAT Approaches Demanded by Authorities Acceptable without a Digital-Twin?
Steffen Zobel-Roos, Axel Schmidt, Fabian Mestmäcker, Mourad Mouellef, Maximilian Huter, Lukas Uhlenbrock, Martin Kornecki, Lara Lohmann, Reinhard Ditz, Jochen Strube
June 10, 2019 (v1)
Subject: Biosystems
Keywords: biologics, continuous bioprocessing, manufacturing, Modelling, modular plants, Process Intensification, Renewable and Sustainable Energy
Innovative biologics, including cell therapeutics, virus-like particles, exosomes, recombinant proteins, and peptides, seem likely to substitute monoclonal antibodies as the main therapeutic entities in manufacturing over the next decades. This molecular variety causes a growing need for a general change of methods as well as mindset in the process development stage, as there are no platform processes available such as those for monoclonal antibodies. Moreover, market competitiveness demands hyper-intensified processes, including accelerated decisions toward batch or continuous operation of dedicated modular plant concepts. This indicates gaps in process comprehension, when operation windows need to be run at the edges of optimization. In this editorial, the authors review and assess potential methods and begin discussing possible solutions throughout the workflow, from process development through piloting to manufacturing operation from their point of view and experience. Especially,... [more]
Numerical Study of Solidification in a Plate Heat Exchange Device with a Zigzag Configuration Containing Multiple Phase-Change-Materials
Peilun Wang, Dacheng Li, Yun Huang, Xingang Zheng, Yi Wang, Zhijian Peng, Yulong Ding
November 28, 2018 (v1)
Keywords: heat exchange, multiple phase-change-materials (m-PCMs), numerical modelling, Process Intensification, solidification, zigzag configuration
Latent heat thermal energy storage (TES) plays an important role in the advocation of TES in contrast to sensible energy storage because of the large storage energy densities per unit mass/volume possible at a nearly constant thermal energy. In the current study, a heat exchange device with a zigzag configuration containing multiple phase-change-materials (m-PCMs) was considered, and an experimental system was built to validate the model for a single PCM. A two-dimensional numerical model was developed using the ANSYS Fluent 14.0 software program. The energy fractions method was put forward to calculate the average Ste number and the influence of Re and Ste numbers on the discharge process were studied. The influence of phase change temperature among m-PCMs on the solidification process has also been studied. A new boundary condition was defined to determine the combined effect of the Re and Ste numbers on the discharging process. The modelling results show that for a given input power... [more]
Un Nuevo Método de Identificación de Procesos Continuos no Oscilatorios de Alto Orden
Francisco Sanchez Careaga
October 30, 2018 (v1)
Keywords: Dynamic System Analysis, Process Control, Process Intensification, Process Modelling
Continuous processes with time delay, in general, have been represented by using first order models with time delay (FOMTD). For this models, the parameter can be graphically estimated by plotting the process response when a step is applied to the manipulated variable. For higher order process, the FOMTD have poor results and the second order models with time delay (SOMTD) are more suitable for identifying the process. Nevertheless there is no simple graphic method for estimating the parameters of the SOMTD.

This research presents a simple graphic method for estimating the second order model with time delay parameter. The method requires to read four point of the process response when a step change in the manipulated variable is applied. From these readings the values of the time delay, gain and time constants of the SOMTD model are estimated.

Moreover, in this research, and alternative approximation of the time delay is proposed, this to avoid unstable zeros on the controller e... [more]
Los procesos continuos con tiempo muerto, generalmente han sido representados utilizando modelos de primer orden con tiempo muerto (FOPDT). Para este modelo, los parámetros pueden ser estimados gráficamente utilizando la gráfica de la respuesta del proceso, al aplicársele un escalón en la manipulación del mismo. Para procesos de alto orden, los modelos FOPDT dan pobres resultados y los modelos de segundo orden con tiempo muerto (SOPDT) son los más indicados para responder a las necesidades de identificación. Sin embargo no existe un método gráfico sencillo para estimar los parámetros del modelo SOPDT.

En esta investigación se presenta un método gráfico sencillo para estimar los parámetros del modelo de segundo orden con tiempo muerto. El método consiste en la lectura de cuatro puntos de la gráfica de respuesta del proceso real al aplicársele un cambio tipo escalón en la manipulación. De esas lecturas se estiman los valores del tiempo muerto, de la ganancia, y de las constantes de t... [more]
Production of Hydrogen by Methane Steam Reforming Coupled with Catalytic Combustion in Integrated Microchannel Reactors
Junjie Chen, Baofang Liu, Xuhui Gao, Deguang Xu
September 21, 2018 (v1)
Keywords: catalytic combustion, Computational Fluid Dynamics, hydrogen production, Process Intensification, process optimization, Steam Reforming, thermal management, thermally integrated microchannel reactors
This paper addresses the issues related to the rapid production of hydrogen from methane steam reforming by means of process intensification. Methane steam reforming coupled with catalytic combustion in thermally integrated microchannel reactors for the production of hydrogen was investigated numerically. The effect of the catalyst, flow arrangement, and reactor dimension was assessed to optimize the design of the system. The thermal interaction between reforming and combustion was investigated for the purpose of the rapid production of hydrogen. The importance of thermal management was discussed in detail, and a theoretical analysis was made on the transport phenomena during each of the reforming and combustion processes. The results indicated that the design of a thermally integrated system operated at millisecond contact times is feasible. The design benefits from the miniaturization of the reactors, but the improvement in catalyst performance is also required to ensure the rapid pr... [more]
Extending Applications of High-Pressure Homogenization by Using Simultaneous Emulsification and Mixing (SEM)—An Overview
Vanessa Gall, Marc Runde, Heike P. Schuchmann
July 30, 2018 (v1)
Keywords: Energy Efficiency, high-pressure homogenization, Mixing, Process Intensification, process modifications
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.
Integrated Process Design and Control of Cyclic Distillation Columns
Seyed Soheil Mansouri
July 30, 2018 (v1)
Keywords: Cyclic Distillation, Driving Froce, Process Control, Process Design, Process Intensification
Integrated process and control design approach for cyclic distillation columns is proposed. The design methodology is based on application of simple graphical design approaches, known from simpler conventional distillation columns. Here, a driving force approach and McCabe-Thiele type analysis is combined. It is demonstrated, through closed-loop and open-loop analysis, that operating the column at the largest available driving force results in an optimal design in terms of controllability and operability. The performance of a cyclic distillation column designed to operate at the maximum driving force is compared to alternative sub-optimal designs. The results suggest that operation at the largest driving force is less sensitive to disturbances in the feed and inherently has the ability to efficiently reject disturbances.
Space-constrained purification of dimethyl ether through process intensification using semicontinuous dividing wall columns
Sarah E. Ballinger, Thomas A. Adams II
June 12, 2018 (v1)
Keywords: Aspen Plus, Dimethyl Ether, Dividing wall column, Mobile Plant, Plant-on-a-truck, Process Intensification, Semicontinuous Distillation, Simulation
In this work, a distillation system is designed to purify dimethyl ether (DME) from its reaction by-products in the conversion of flare gas into a useful energy product. The distillation equipment has a size constraint for easy transportation, making process intensification the best strategy to efficiently separate the mixture. The process intensification distillation techniques explored include the dividing wall column (DWC) and a novel semicontinuous dividing wall column (S-DWC). The DWC and the S-DWC both purify DME to fuel grade purity along with producing high purity waste streams. An economic comparison is made between the two systems. The DWC is a cheaper method of producing DME however the purity of methanol, a reaction intermediate, is not as high as the S-DWC. Overall, this research shows that it is possible to purify DME and its reaction by-products in a 40-foot distillation column at a cost that is competitive with Diesel.
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