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Records with Keyword: Modelling
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Exergy Tables: Aspen Simulation Examples
Eksergitabeller: Aspen Plus simuleringseksempler
Thomas A. Adams II
January 25, 2023 (v1)
Example Aspen Plus chemical process simulations used in the book Exergy Tables: A Comprehensive Set of Exergy Values to Streamline Energy Efficiency Analysis, by Lingyan Deng, Thomas A. Adams II, and Truls Gundersen (McGraw-Hill Education, 2023). The examples are:

1. Medium-pressure steam generation using a natural-gas powered boiler
2. Medium-pressure steam generation using a natural-gas powered boiler with an economizer
3. Medium-pressure steam generation using an off-gas powered boiler
4. Postcombustion CO2 capture using diglycolamine (DGA) with CCS

Note, stream conditions may vary slightly from those in the book when simulated with different versions of the software.

Files are Aspen Plus v12.1, but should be openable on any version 12.1 or later.
Effects of Osmotic Dehydration on the Hot Air Drying of Apricot Halves: Drying Kinetics, Mass Transfer, and Shrinkage
Ivan Pavkov, Milivoj Radojčin, Zoran Stamenković, Krstan Kešelj, Urszula Tylewicz, Péter Sipos, Ondrej Ponjičan, Aleksandar Sedlar
October 12, 2022 (v1)
Subject: Materials
Keywords: apricot, drying, kinetics, mass transfer, Modelling, osmotic dehydration, shrinkage
This study aimed to determine the effects of osmotic dehydration on the kinetics of hot air drying of apricot halves under conditions that were similar to the industrial ones. The osmotic process was performed in a sucrose solution at 40 and 60 °C and concentrations of 50% and 65%. As expected increased temperatures and concentrations of the solution resulted in increased water loss, solid gain and shrinkage. The kinetics of osmotic dehydration were well described by the Peleg model. The effective diffusivity of water 5.50−7.387 × 10−9 m2/s and solute 8.315 × 10−10−1.113 × 10−9 m2/s was calculated for osmotic dehydration. Hot air drying was carried out at 40, 50, and 60 °C with air flow velocities of 1.0 m/s and 1.5 m/s. The drying time shortened with higher temperature and air velocity. The calculated effective diffusion of water was from 3.002 × 10−10 m2/s to 1.970 × 10−9 m2/s. The activation energy was sensitive to selected air temperatures, so greater air velocity resulted in great... [more]
Eco-technoeconomic analyses of NG-powered SOFC/GT hybrid plants accounting for long-term degradation effects via pseudo-steady-state model simulations
Haoxiang Lai, Thomas Adams II
August 2, 2022 (v1)
Models and codes that were used in this work. Please read the simulation instruction.
Modeling and Flowsheet Simulation of Vibrated Fluidized Bed Dryers
Soeren E. Lehmann, Moritz Buchholz, Alfred Jongsma, Fredrik Innings, Stefan Heinrich
October 11, 2021 (v1)
Keywords: drying kinetics, Dyssol, flowsheet simulation, fluidized bed drying, Modelling, vibrated fluidized bed
Drying in fluidized beds is an important step in the production of powdered materials. Especially in the food and pharmaceutical industry, fluidized bed dryers are often vibrated to improve the drying process. In the current work, a continuous fluidized bed drying model is implemented in the novel, open-source flowsheet simulation framework Dyssol. The new model accounts for the hydrodynamic characteristics of all Geldart groups as well as the impact of mechanical vibration on the drying process. Distributed particle properties are considered by the model. Comprehensive validation of the model was conducted for a wide range of process parameters, different materials, dryer geometries and dimensions as well as the impact of vibration. Particle properties are predicted accurately and represent the broad experimental data well. A sensitivity analysis of the model confirmed grid independence and the validity of underlying model assumptions.
A Model of Transport of Particulate Biomass in a Stream of Fluid
Tomasz Reguła, Jarosław Frączek, Jakub Fitas
August 2, 2021 (v1)
Keywords: air stream, Modelling, particle motion, pneumatic separation, two-phase mixtures
The motion of a solid particle introduced into a stream of fluid is a crucial problem in the contexts of pneumatic transport and the purification and separation of non-uniform mixtures. However, the complexity of the underlying equations of motion enforces the creation of semi-empirical models. Therefore, analysis of particle motion in a pneumatic channel was performed. To reduce the number of independent variables, several simplifying assumptions were made in regard to both the particle and the stream. The resulting model provides trajectory equations for a particle introduced into the stream at given values of the initial angle and initial velocity, which are then solved using numerical integration methods. A hodograph function was formulated on the basis of the Runge−Kutta and NDFs methods to test the correctness of the solutions under various initial parameters and to provide a universal method of solving the equations of motion. To verify the model, terminal velocities were measur... [more]
Modeling of Transport of Loose Products with the Use of the Non-Grid Method of Discrete Elements (DEM)
Dariusz Kryszak, Adrian Bartoszewicz, Szymon Szufa, Piotr Piersa, Andrzej Obraniak, Tomasz P. Olejnik
June 2, 2021 (v1)
Keywords: DEM, food processing industry, Modelling, transport of raw materials
The application of the Discrete Element Method (DEM) allows simulating the movement of a particle of any shape in a conveyor. The DEM method uses the assumptions of the Lagrange calculation model, in which each particle in the domain is tracked individually. It makes it possible to conduct a thorough examination of the behavior of the entire bulk material bed consisting of a set of elements with characteristic physicochemical properties. Therefore, the deposit is not considered according to averages and constants, e.g., strength values, but as a set of elements that can be described individually. The article presents the results of a simulation, with the use of the Discrete Elements Method (DEM), of the process of soft fruit transport in the food industry. The results of the research and exemplary simulations of blueberry fruit transport are presented. The influence of the type of a transport device on the values of normal and tangential forces occurring between the blueberry fruit and... [more]
Optimal Sizing and Techno-Economic Analysis of Hybrid Renewable Energy Systems—A Case Study of a Photovoltaic/Wind/Battery/Diesel System in Fanisau, Northern Nigeria
Nasser Yimen, Theodore Tchotang, Abraham Kanmogne, Idriss Abdelkhalikh Idriss, Bashir Musa, Aliyu Aliyu, Eric C. Okonkwo, Sani Isah Abba, Daniel Tata, Lucien Meva’a, Oumarou Hamandjoda, Mustafa Dagbasi
May 17, 2021 (v1)
Keywords: break-even grid extension distance, Genetic Algorithm, greenhouse gas emissions analysis, hybrid renewable energy systems, Modelling, net present value, Nigeria, replacement project, rural electrification, simple payback period, simulation and optimization, sub-Saharan Africa, Technoeconomic Analysis
Hybrid Renewable Energy Systems (HRESs) have been touted as an appropriate way for supplying electricity to remote and off-grid areas in developing countries, especially in sub-Saharan Africa (SSA), where rural electrification challenges are the most pronounced. This study proposes a two-step methodology for optimizing and analyzing a stand-alone photovoltaic/wind/battery/diesel hybrid system to meet the electricity needs of Fanisua, an off-grid and remote village of northern Nigeria. In the first step, the MATLAB environment was used to run simulations and optimize the system via the genetic algorithm. Then, techno-economic and emissions analysis was carried out in the second step to compare the proposed system to the existing traditional modes of rural electrification in sub-Saharan Africa, namely, the grid-extension and diesel generator. The break-even distance parameter was adopted in the comparison with grid-extension. Besides, the hypothetical project of replacing the diesel gene... [more]
Prediction of the Solubility of CO2 in Imidazolium Ionic Liquids Based on Selective Ensemble Modeling Method
Luyue Xia, Shanshan Liu, Haitian Pan
May 17, 2021 (v1)
Keywords: Carbon Dioxide, fuzzy C–means, ionic liquids, Modelling, prediction, selective ensemble, solubility
Solubility data is one of the essential basic data for CO2 capture by ionic liquids. A selective ensemble modeling method, proposed to overcome the shortcomings of current methods, was developed and applied to the prediction of the solubility of CO2 in imidazolium ionic liquids. Firstly, multiple different sub−models were established based on the diversities of data, structural, and parameter design philosophy. Secondly, the fuzzy C−means algorithm was used to cluster the sub−models, and the collinearity detection method was adopted to eliminate the sub−models with high collinearity. Finally, the information entropy method integrated the sub−models into the selective ensemble model. The validation of the CO2 solubility predictions against experimental data showed that the proposed ensemble model had better performance than its previous alternative, because more effective information was extracted from different angles, and the diversity and accuracy among the sub−models were fully inte... [more]
Control-Oriented Modeling and Experimental Validation of a Deoiling Hydrocyclone System
Mads V. Bram, Stefan Jespersen, Dennis S. Hansen, Zhenyu Yang
April 30, 2021 (v1)
Keywords: droplet trajectories, experimental validation, hydrocyclone, Modelling, oil-in-water measurements, separation efficiency
As the treated water from offshore oil and gas production is discharged to the surrounding sea, there is an incentive to improve the performance of the offshore produced water treatment, to reduce the environmental pollutants to the sea. Regulations determine both the maximum allowed oil concentration and the total annual quantity. It is reasonable to assume that when better separation equipment or methods are developed, the regulation will become more strict, and force other producers to follow the trend towards zero harmful discharge. This paper develops and validates a hydrocyclone model to be used as a test-bed for improved control designs. The modeling methodology uses a combination of first-principles to define model structure and data-driven parameter identification. To evaluate and validate the separation performance, real-time fluorescence-based oil-in-water (OiW) concentration monitors, with dual redundancy, are installed and used on sidestreams of a modified pilot plant. The... [more]
Some Physical Properties and Mass Modelling of Pepper Berries (Piper nigrum L.), Variety Kuching, at Different Maturity Levels
Puteri Nurain Megat Ahmad Azman, Rosnah Shamsudin, Hasfalina Che Man, Mohammad Effendy Ya’acob
April 30, 2021 (v1)
Keywords: dimensions, mass, maturity levels, Modelling, piper nigrum
Pepper berry (Piper nigrum L.) is known as the king of spices and has sharp, pungent flavour and aroma. In this study, the physical properties (weight, dimensions, sphericity, volume, surface area, and projected area) were measured, and the mass of pepper berries of the Kuching variety at different maturity levels (immature, mature, and ripe) was predicted using four models: linear, quadratic, s-curve, and power. When the models were based on volume and projected area, the mass could be predicted with maximum precision. The Quadratic model was best fitted for mass prediction at all mass maturity levels (immature, mature, and ripe). The results showed that mass modelling based on the actual volume of pepper berries was more applicable compared to other properties with the highest determination coefficient, 0.995, at the 1% probability level. From an economical point of view, mass prediction based on actual volume in the Quadratic form, M= 0.828 − 0.015 V + 7.376 ×10−5V2, is recommended.... [more]
Hydrodynamics and Mass Transfer Analysis in BioFlow® Bioreactor Systems
Marian Kordas, Maciej Konopacki, Bartłomiej Grygorcewicz, Adrian Augustyniak, Daniel Musik, Krzysztof Wójcik, Magdalena Jędrzejczak-Silicka, Rafał Rakoczy
April 30, 2021 (v1)
Keywords: agitation, bioreactors, mass transfer, Mixing, Modelling, power consumption
Biotechnological processes involving the presence of microorganisms are realized by using various types of stirred tanks or laboratory-scale dual-impeller commercial bioreactor. Hydrodynamics and mass transfer rate are crucial parameters describing the functionality and efficiency of bioreactors. Both parameters strictly depend on mixing applied during bioprocesses conducted in bioreactors. Establishing optimum hydrodynamics conditions for the realized process with microorganisms maximizes the yield of desired products. Therefore, our main objective was to analyze and define the main operational hydrodynamic parameters (including flow field, power consumption, mixing time, and mixing energy) and mass transfer process (in this case, gas−liquid transfer) of two different commercial bioreactors (BioFlo® 115 and BioFlo® 415). The obtained results are allowed using mathematical relationships to describe the analyzed processes that can be used to predict the mixing process and mass transfer... [more]
Mathematical Modeling of Hydrodynamics in Bioreactor by Means of CFD-Based Compartment Model
Agnieszka Krychowska, Marian Kordas, Maciej Konopacki, Bartłomiej Grygorcewicz, Daniel Musik, Krzysztof Wójcik, Magdalena Jędrzejczak-Silicka, Rafał Rakoczy
April 29, 2021 (v1)
Keywords: biochemical engineering, bioreactors, mathematical modeling, Modelling
This study presents the procedure of deriving a compartmental model (CM) based on an analysis obtained from the computational fluid dynamics (CFD) model of a bioreactor. The CM is composed of two parts, a structural (that takes into account the architecture of the mathematical model), and a parametric part (which contains the extrinsic parameters of the model). The CM is composed of the branches containing the set of perfectly mixed continuous stirred-tank reactors (CSTRs) in a configuration that matches the bioreactor’s flow patterns. Therefore, this work’s main objective was to develop a mathematical model that incorporated the flow field obtained by CFD technique. The proposed mathematical model was validated by means of the experimental data in the form of the residence time distribution (RTD) measurements.
A Review on the Modeling, Control and Diagnostics of Continuous Pulp Digesters
Moksadur Rahman, Anders Avelin, Konstantinos Kyprianidis
April 27, 2021 (v1)
Keywords: control, diagnostics, Kraft pulping, Modelling, pulp digester
Being at the heart of modern pulp mills, continuous pulp digesters have attracted much attention from the research community. In this article, a comprehensive review in the area of modeling, control and diagnostics of continuous pulp digesters is conducted. The evolution of research focus within these areas is followed and discussed. Particular effort has been devoted to identifying the state-of-the-art and the research gap in a summarized way. Finally, the current and future research directions in the areas have been analyzed and discussed. To date, digester modeling following the Purdue approach, Kappa number control using model predictive controllers and health index-based diagnostic approaches by utilizing different statistical methods have dominated the field. While the rising research interest within the field is evident, we anticipate further developments in advanced sensors and integration of these sensors for improving model prediction and controller performance; and the explo... [more]
Scope and Limitations of the Mathematical Models Developed for the Forward Feed Multi-Effect Distillation Process—A Review
Omer Mohamed Abubaker Al-Hotmani, Mudhar Abdul Alwahab Al-Obaidi, Yakubu Mandafiya John, Raj Patel, Iqbal M Mujtaba
April 16, 2021 (v1)
Keywords: Dynamic Modelling, forward feed MED, Modelling, seawater desalination, steady-state modeling
Desalination has become one of the obvious solutions for the global water crisis due to affording high-quality water from seawater and brackish water resources. As a result, there are continuing efforts being made to improve desalination technologies, especially the one producing high-quantity freshwater, i.e., thermal desalination. This improvement must be accomplished via enhancement of process design through optimization which is implicitly dependent on providing a generic process model. Due to the scarcity of a comprehensive review paper for modeling multi-effect distillation (MED) process, this topic is becoming more important. Therefore, this paper intends to capture the evolution of modeling the forward feed MED (most common type) and shed a light on its branches of steady-state and dynamic modeling. The maturity of the models developed for MED will be thoroughly reviewed to clarify the general efforts made highlighting the advantages and disadvantages. Depending on the outputs... [more]
Fed-Batch Sucrose Crystallization Model for the B Massecuite Vacuum Pan, Solution by Deterministic and Heuristic Methods
Paulo Eduardo de Morais Gonzales, Marcos Antônio de Souza Peloso Jr, José Eduardo Olivo, Cid Marcos Gonçalves Andrade
March 24, 2021 (v1)
Keywords: crystallization, deterministic method, fed-batch, metaheuristic method, Modelling, sucrose
Fed-batch crystallization is a crucial step for sugar production. In order to relate parameters that are difficult to measure (average diameter of the crystals and total mass formed) to other easier to measure parameters (volume, temperature, and concentration), a model was developed for a B massecuite vacuum pan composed of mass and energy balances together with empirical relations that describe the crystal development inside equipment. The generated system of ordinary differential equations (ODE) had eight parameters which were adjusted through minimization of relative differences between the model results and experimental data. It was solved through the function fmincon, available in MATLABTM, which is a deterministic and gradient-based optimization method. The objective of this paper is to improve the model obtained and, for this purpose, two metaheuristic functions were used: genetic algorithm and particle swarm. To compare the results, the convergence time of each algorithm was u... [more]
Aspen Plus Simulation of a Rectisol Process for Blue Hydrogen Production
Thomas A Adams II
March 12, 2021 (v2)
This is an Aspen Plus v12 model for a Rectisol process used for removing CO2 from a shifted syngas stream arising from steam methane reforming for the purposes of Blue hydrogen production. It is intended for educational use, and is useful as a starting point for those interested in simulating this process. It is not optimized in any way, but it contains a working flowsheet for those interested in modifying it for your own purposes.

The simulation was developed using the simulation strategy given in Adams TA II, Khojestah Salkuyeh Y, Nease J. Processes and Simulations for Solvent-based CO2Capture and Syngas Cleanup. Chapter in: Reactor and process design for in sustainable energy technology. Elsevier (2014). Pages 163-232. ISBN: 978-0-444-59566-9. It is based on the process discussed in Doctor RD, Molburg JC, Thimmapuram PR, Berry GF, Livengood CD. Gasification combined cycle: carbon dioxide recovery, transport, and disposal. US DOE Report, Argonne National Laboratory ANL/ESD-24. 19... [more]
Subcritical Water Extraction of Epigallocatechin Gallate from Camellia sinensis and Optimization Study Using Response Surface Methodology
Nguyen Tuan Hiep, Hoang Thanh Duong, Dang Tuan Anh, Nguyen Hoai Nguyen, Do Quang Thai, Do Thi Thuy Linh, Vu Thi Huong Anh, Nguyen Minh Khoi
February 3, 2021 (v1)
Keywords: Camellia sinensis, Modelling, response surface methodology, subcritical water extraction
Background: Camellia sinensis is a plant whose leaves and buds are used to produce tea. With many medicinal activities already found, green tea has been consumed widely in the world. Methods: The subcritical water extraction (SWE) of epigallocatechin gallate (EGCG) from green tea leaves and the effect of the different extraction conditions are investigated by response surface methodology (RSM). Furthermore, the model of the extraction processes is reviewed for application at the industrial scale. Results: Based on the RSM data, the maximum yield of extraction is determined via optimizing different parameters of the extraction processes. Optimal conditions are as follows: extraction time of 6 min, extraction temperature at 120 °C, and a sample/solvent ratio of 1:40 g/mL. Under such conditions, the best yield of EGCG is 4.665%. Moreover, the model of the extraction processes, which can be utilized for industry scale purpose, indicates a good correlation with the experimental data. Conclu... [more]
Adaptive Feedback Control for a Pasteurization Process
Emil D.J. Rasmussen, Massimiliano Errico, Stefania Tronci
December 17, 2020 (v1)
Keywords: adaptive control, milk, Modelling, pasteurization
The milk pasteurization process is nonlinear in nature, and for this reason, the application of linear control algorithms does not guarantee the obtainment of the required performance in every condition. The problem is here addressed by proposing an adaptive algorithm, which was obtained by starting from an observer-based control approach. The main result is the obtainment of a simple PI-like controller structure, where the control parameters depend on the state of the system and are adapted online. The proposed algorithm was designed and applied on a simulated process, where the temperature dependence of the milk’s physical properties was considered. The control strategy was tested by simulating different situations, particularly when time-varying disturbances entered the system. The use of the adaptive rule reduces the variance generally introduced by the PI or PID controller.
Impact of Dual Substrate Limitation on Biodenitrification Modeling in Porous Media
Mostafa Abaali, Jérôme Harmand, Zoubida Mghazli
November 11, 2020 (v1)
Keywords: biodenitrification, convection-diffusion-reaction equations, finite element method, Modelling
In this work, we consider a model of the biodenitrification process taking place in a spatially-distributed bioreactor, and we take into account the limitation of the kinetics by both the carbon source and the oxidized nitrogen. This model concerns a single type of bacteria growing on nitrate, which splits into adherent bacteria or free bacteria in the liquid, taking all interactions into account. The system obtained consists of four diffusion-convection-reaction equations for which we show the existence and uniqueness of a global solution. The system is approximated by a standard finite element method that satisfies an optimal a priori error estimate. We compare the results obtained for three forms of the growth function: single substrate limiting, “multiplicative” form, and “minimum” form. We highlight the limitation of the ‘ single substrate limiting model”, where the dependency of the bacterial growth on the nitrate is neglected, and find that the “minimum” model gives numerical re... [more]
Modeling the Effect of Channel Tapering on the Pressure Drop and Flow Distribution Characteristics of Interdigitated Flow Fields in Redox Flow Batteries
Pablo A. García-Salaberri, Tugba Ceren Gokoglan, Santiago E. Ibáñez, Ertan Agar, Marcos Vera
October 26, 2020 (v1)
Keywords: channel tapering, flow distribution, interdigitated flow field, lubrication theory, Modelling, pressure drop, redox flow battery
Optimization of flow fields in redox flow batteries can increase performance and efficiency, while reducing cost. Therefore, there is a need to establish a fundamental understanding on the connection between flow fields, electrolyte flow management and electrode properties. In this work, the flow distribution and pressure drop characteristics of interdigitated flow fields with constant and tapered cross-sections are examined numerically and experimentally. Two simplified 2D along-the-channel models are used: (1) a CFD model, which includes the channels and the porous electrode, with Darcy’s viscous resistance as a momentum sink term in the latter; and (2) a semi-analytical model, which uses Darcy’s law to describe the 2D flow in the electrode and lubrication theory to describe the 1D Poiseuille flow in the channels, with the 2D and 1D sub-models coupled at the channel/electrode interfaces. The predictions of the models are compared between them and with experimental data. The results s... [more]
Modelling Acetification with Artificial Neural Networks and Comparison with Alternative Procedures
Jorge E. Jiménez-Hornero, Inés María Santos-Dueñas, Isidoro García-García
October 6, 2020 (v1)
Keywords: acetification, artificial neural networks, bioreactor systems, Modelling, multilayer perceptron, vinegar
Modelling techniques allow certain processes to be characterized and optimized without the need for experimentation. One of the crucial steps in vinegar production is the biotransformation of ethanol into acetic acid by acetic bacteria. This step has been extensively studied by using two predictive models: first-principles models and black-box models. The fact that first-principles models are less accurate than black-box models under extreme bacterial growth conditions suggests that the kinetic equations used by the former, and hence their goodness of fit, can be further improved. By contrast, black-box models predict acetic acid production accurately enough under virtually any operating conditions. In this work, we trained black-box models based on Artificial Neural Networks (ANNs) of the multilayer perceptron (MLP) type and containing a single hidden layer to model acetification. The small number of data typically available for a bioprocess makes it rather difficult to identify the m... [more]
Incremental Modeling and Monitoring of Embedded CPU-GPU Chips
Oussama Djedidi, Mohand Djeziri
August 29, 2020 (v1)
Keywords: analytical redundancy, embedded systems, Modelling, monitoring, smartphones, system-on-chip
This paper presents a monitoring framework to detect drifts and faults in the behavior of the central processing unit (CPU)-graphics processing unit (GPU) chips powering them. To construct the framework, an incremental model and a fault detection and isolation (FDI) algorithm are hereby proposed. The reference model is composed of a set of interconnected exchangeable subsystems that allows it to be adapted to changes in the structure of the system or operating modes, by replacing or extending its components. It estimates a set of variables characterizing the operating state of the chip from only two global inputs. Then, through analytical redundancy, the estimated variables are compared to the output of the system in the FDI module, which generates alarms in the presence of faults or drifts in the system. Furthermore, the interconnected nature of the model allows for the direct localization and isolation of any detected abnormalities. The implementation of the proposed framework requir... [more]
Development of an Optimal Path Algorithm for Construction Equipment
Hak June Lee, So Young Lim
August 29, 2020 (v1)
Subject: Optimization
Keywords: algorithm, construction, dump, Modelling, optimal path, safety, terrain
The fourth industrial revolution based on information and communication technology (ICT and IoT) is converging into the overall realm of technology, economy and society, creating innovative changes. In line with these changes, research is being actively carried out to integrate information and communication with automation at construction sites. This study was started to analyze problems arising from inefficient operation of construction equipment through analysis of risks arising at construction sites and to provide solutions related to these problems. In order to provide the optimal route of movement of construction equipment, an expert survey was conducted and an algorithm was developed to establish the optimal route of movement by analyzing the weights for each item of the survey. The adequacy of the algorithm was determined by comparing the developed algorithm with the actual data of the construction site in operation, and a safe and productive route as well as problems related to... [more]
Design and Eco-techno-economic Analyses of SOFC/GT Hybrid Systems Accounting for Long-term Degradation Effects
Haoxiang Lai, Nor Farida Harun, David Tucker, Thomas Adams II
November 24, 2020 (v2)
Models and codes that were used in this work. Please read the simulation instruction.
Distinct and Quantitative Validation for Predictive Process Modelling in Steam Distillation of Caraway Fruits and Lavender Flower Following a Quality-By-Design (QbD) Approach
Thorsten Roth, Lukas Uhlenbrock, Jochen Strube
July 17, 2020 (v1)
Keywords: caraway, Carum carvi, essential oil, Lavandula, lavender, Modelling, physico-chemical model, steam distillation
A quality by design (QbD) approach as part of process development in the regulated, pharmaceutical industry requires many experiments. Due to the large number, process development is time consuming and cost intensive. A key to modern process development to reduce the number of required experiments is a predictive simulation with a validated physico-chemical model. In order to expand the process expertise of steam distillation through maximum information, a model development workflow is used in this paper, which focuses on implementation, verification, parametrization and validation of a physico-chemical model. Process robustness and sensitivity of target values can be determined from the developed general model and design of experiments with statistical evaluations. The model validation is exemplified by two different types of plant systems, caraway fruits (Carum Carvi) and lavender flowers (Lavandula).
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