Search results for: MOLECULAR MODELLING - Bridge of Knowledge

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Search results for: MOLECULAR MODELLING

Search results for: MOLECULAR MODELLING

  • Method of Skeletal System Modelling

    An original method of skeletal system modelling is presented in detail. Using DICOM images obtained from CT and PET tests, shell models of nine bones were created (humerus, radius, ulna, scapula, clavicle, femur, tibia, fibula, pelvis). Two methods of bone behaviour are also proposed, the first method treating the bone as a solid structure and the second method treating the bone as a complex porous structure. The behaviour of model...

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  • Impact of maintenance of floodplains of the Vistula River on high water levels on the section from Włocławek to Toruń

    Publication

    This article describes the methodology of hydraulic calculations to estimate the water levels in open channels for steady gradually varied flow. The presented method has been used to analyse the water level on the Vistula River from Włocławek cross-section to Toruń cross-section. The HEC-RAS modelling system has been used for parameterization of the river channel and floodplains, as well as for flow simulation. The results obtained...

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  • A Method for Optimising the Blade Profile in Kaplan Turbine

    Publication

    - Year 2011

    This paper introduces a method of blade profile optimisation for Kaplan-type turbines, based on modelling the interaction between rotor and stator blades. Rotor and stator blade geometry is described mathematically by means of a midline curve and thickness distribution. Genetic algorithms are then used to find a global optimum that minimises the loss coefficient. This allows for variety of possible blade shapes and configurations....

  • Trust, Collaborative Culture and Tacit Knowledge Sharing in Project Management–a Relationship Model

    Publication

    The aim of this research is to study the relationship between Trust, Collaborative Culture, and Tacit Knowledge Sharing in Project Management as a source of Team Creativity in the context of delivering value through knowledge. For this purpose authors conducted a study of 514 Polish professionals with different functions and experience in managing projects in construction industry. The data collected during the study has been analysed...

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  • From a Point Cloud to a 3D Model - an Exercise for Users of AutoCAD and Revit

    The paper presents a proposal of the topic of an exercise for students of building faculties as part of classes on 3D modelling. The task consists in creating a three-dimensional model based on the measurement obtained with the Leica P30 laser scanner. Due to the maximum number of points in the cloud in the presented programs, the output files must be properly cleared and reduced. The point cloud was pre-processed in Cyclone software....

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  • Analysis of economical lighting of highways in the environment of SMOL language

    The paper puts forward and implements a method of designing and creating a modelling simulation environment for eztensive and complete analysis of economical lighting on highways. From a general design viewpoint, the proposed solution explores the concept of a network description language (SMOL), which has been designed to describe the necessary network functions, mechanisms, and devices; for the purpose of their computer simulation...

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  • The circle object detection with the use of Msplit estimation

    Publication

    - Year 2018

    The paper presents the use of Msplit(q) - estimation in the filtration and aggregation of point clouds containing a known number of elliptical shapes with preliminary unknown - locations and dimensions. These theoretical solutions may have practical relevance especially in the modelling of terrestrial laser scanning data of objects that have similar shape to circles. Mentioned shapes can be scanned of tree trunks, columns, gutters,...

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  • Design of weighted PID controllers for control of the Stewart-Gough platform

    Publication

    Stewart-Gough platform (SGP) is a popular parallel type manipulator that involves a 6 degrees of freedom (DOF) motion. In this paper, the process of mathematical modelling of SGP is presented. Two selected control algorithms that use PID controllers and weighted PID controllers are designed. Both control systems using these algorithms are implemented in MATLAB environment as well as on the actual SGP. Parameters of the controllers...

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  • Modelling the context of use for Intranet portals design

    Publication

    - Year 2007

    Intranet portals in contemporary enterprises affect the way how people work, communicate and build relationships within teams and organizations. Developing high usability in Intranet projects requires analysing context of use and including many additional organizational and cultural factors, normally not present in regular software projects. A modelling framework presented in this paper is useful for analysing context of use for...

  • Early Oceanographical Data Collected by the Institute of Oceanography, University of Gdańsk

    Publication

    - Year 2022

    Three data sets entitled Water currents in Głębinka Passage in late spring of 1975, Hydrometeorological and hydrochemical conditions in the Gulf of Gdańsk in the vicinity of Vistula river mouth in July of 1977, and Gulf of Gdańsk monitoring conducted by the Institute of Oceanography, University of Gdańsk, in 1981–1994 contain archival field measurement results from the Gulf of Gdańsk (the southern Baltic). The data can be used...

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  • The effect of numerical 2D and 3D FEM element modelling on strain and stress distributions at laser weld notches in steel sandwich type panels

    Publication

    Like other means of transport, merchant ships face the problem of increasing requirements concerning the environment protection, which, among other issues, implies the reduction of fuel consumption by the ship. Here, the conventional approach which consists in making use of higher strength steels to decrease the mass of the ship hull can be complemented by the use of new steel structures of sandwich panel type. However, the lack...

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  • Viscous versus electromagnetic damping – amplification in a neighbourhood of a mechanism singular position

    Publication

    - Year 2013

    In the paper, damping of vibrations are considered and compared in a mechanical and in a electromechanical system. In the system, a continuous beam is considered as the main vibrating element. The compared dissipations methods are based on: viscous dampers and DC generators. To increase the possible damping effectiveness, velocity amplification is proposed, i.e., a mechanism is introduced between the beam and the damping element....

  • Modelling of wastewater treatment plant for monitoring and control purposes by state - space wavelet networks

    Publication

    Most of industrial processes are nonlinear, not stationary, and dynamical with at least few different time scales in their internal dynamics and hardly measured states. A biological wastewater treatment plant falls into this category. The paper considers modelling such processes for monitorning and control purposes by using State - Space Wavelet Neural Networks (SSWN). The modelling method is illustrated based on bioreactors of...

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  • Road safety analysis in Poland using time-series modelling techniques

    A number of international studies argue that there is a correlation between the number of traffic fatalities and the degree of public activity. The studies use the unemployment rate to support that argument. As unemployment grows miles travelled fall, a factor known to affect road safety. This relationship seems to be true for Poland, as well. The model presented in the paper is intended to prove it. It is a structural time-series local...

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  • Hybrid, Approximate Models of Distributed-Parameter Systems

    Publication

    - Year 2010

    The paper introduces the method of distributed-parameter systems modelling. It enables to obtain low order modal model of the system that experiences Coriolis acceleration component and gyroscopic effect. In such cases, corresponding system equations are non-self-adjoined. To solve this problem modal reduced model is built up for the system without Coriolis acceleration or gyroscopic effect terms. These phenomena are next included...

  • Modelling method for a class of distributed-lumped parameter systems

    Publication

    - Year 2011

    The paper presents an alternative approach for modelling and order reduction of continuous system. The proposed methodology combines application of two methods: the modal decomposition method and the rigid finite element method. The given continuous structure is divided into 1D continuous substructures. For each 1D substructure modal decomposition and reduction procedure is applied. Interactions between substructures are described...

  • Hybrid Reduced Model of Continuous System

    The paper introduces an alternative method of modelling and modal reduction of continuous systems. Presented method is a hybrid one. It combines the advantages of modal decomposition method and the rigid finite element method. In the proposed method continuous structure is divided into one-dimensional continuous elements. For each 1D element modal decomposition and reduction is applied. Interactions between substructures are...

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  • Some developments in constitutive modelling of soft clays, Keynote lecture

    Publication
    • S. Wheeler
    • M. Cudny
    • H. Neher
    • C. Wiltafsky

    - Year 2003

    Przedstawiono przegląd najczęściej stosowanych modeli konstytutywnych dla naturalnych gruntów słabonośnych, takich jak: gliny, namuły lub torfy. Skupiono się przede wszystkim na takich elementach charakterystyki mechanicznej gruntów słabonośnych jak: anizotropia, zjawisko pełzania i relaksacji oraz destrukturyzacja. Artykuł jest podsumowaniem 4-letniego projektu badawczego finansowanego w ramach 5 ramowego projektu Unii Europejskiej:...

  • Interference aware Bluetooth scatternet (Re)configuration algorithm IBLUEREA

    The paper presents a new algorithm IBLUEREA, which enables reconfiguration of Bluetooth (BT) scatternet to reduce mutual interferences between BT and Wi-Fi (IEEE 802.11b) networks operating on the same area. IBLUEREA makes use of proposed procedure for modelling ISM environment around a given BT scatternet. The mechanism is based on estimation of the probabilities of successful (unsuccessful) frame transmissions. This determination...

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  • MODELLING OF THE VISCOSITY EFFECT OF HEAVE PLATES FOR FLOATING WIND TURBINES BY HYDRODYNAMIC COEFFICIENTS

    One of the methods of modelling the movement of floating wind turbines is the use of the diffraction method. However, this method does not take into account the influence of viscosity; therefore, in many cases, it needs to be extended with a matrix of appropriate coefficients. The effect of viscosity causes both the added mass coefficient and the damping coefficient to increase. The determined coefficients were entered into the...

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  • A Generative Approach to Hull Design for a Small Watercraft

    Publication

    In the field of ocean engineering, the task of spatial hull modelling is one of the most complicated problems in ship design. This study presents a procedure applied as a generative approach to the design problems for the hull geometry of small vessels using elements of concurrent design with multi-criteria optimisation processes. Based upon widely available commercial software, an algorithm for the mathematical formulation of...

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  • Modelling and computer animation of geodetic field work

    Publication

    - Year 2014

    3D modelling of objects is a way of obtaining information, while the visualization of geospatial data is becoming a production task in the scope of surveying. Visualization of geospatial data provides effective tools for analysis information about the land surface, land cover, its features, properties etc. Computer animations, both 2D images and 3D are becoming additional, expected and clear form for presentation results of geodetic...

  • Pounding Between Superstructure Segments in Multi-Supported Elevated Bridge with Three-Span Continuous Deck Under 3D Non-Uniform Earthquake Excitation

    Reports after severe ground motions show that the earthquake-induced structural pounding may lead to significant damage in elevated bridges. The aim of this paper is to analyse pounding between superstructure segments of a highway elevated bridge with three-span continuous deck under 3D non-uniform earthquake excitation, which is induced by spatial seismic effects related to the propagation of seismic wave. The conditional stochastic...

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  • REVIEW OF WEATHER FORECAST SERVICES FOR SHIP ROUTING PURPOSES

    Weather data is nowadays used in a variety of navigational and ocean engineering research problems: from the obvious ones like voyage planning and routing of sea-going vessels, through the analysis of stability-related phenomena, to detailed modelling of ships’ manoeuvrability for collision avoidance purposes. Apart from that, weather forecasts are essential for passenger cruises and fishing vessels that want to avoid the risk...

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  • A three-dimensional periodic beam for vibroacoustic isolation purposes

    This paper presents results of investigations on a three-dimensional (3-D) isotropic periodic beam. The beam can represent a vibroacoustic isolator of optimised dynamic characteristics in the case of its longitudinal, flexural and torsional behaviour. The optimisation process concerned both the widths as well as the positions of particular frequency band gaps that are present in the frequency spectrum of the beam. Since the dynamic...

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  • Modelling of Diffusing Capacity Measurement Results in Lung Microangiopathy Patients. A novel Diagnostic Suppport

    Publication

    Lung microangiopathy is a little known negative influence of diabetes mellitus on the functioning of the lungs. The aim of this study is to design a supportive method for diagnosing lung microangiopathy. This will be based on routinely performed pulmonary measurements as well as on investigation process modelling and data processing. A model of the diffusion of oxygen from the alveoli to the blood has been described with a set...

  • The influence of the thickness, recombination and space charge on the loss of photocurrent in organic semiconductors: an analytical model

    We propose an analytical model of the photocurrent efficiency dependence on the light intensity in organic semiconductors. The influence of the thickness of sample, space charge effects and recombination of charge on the loss of photocurrent has been considered. We demonstrate that the presented model is the enhancement of an analytical model reported recently by Rappaport et al (2005 J. Appl. Phys. 98 033714). The method to identify...

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  • LDFEM analysis of pore water pressure development in cohesive soil due to FDP auger drilling

    Publication

    This paper presents the preliminary modelling of FDP auger drilling in soft soil with emphasis on excess pore water pressure (EPWP) development using CEL formulation and Abaqus software suit. The EPWP generation in single points is investigated and the results of a numerical analysis are compared with the field measurements. It is found that numerical model qualitatively reflects the field measurements. However,...

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  • Mechanical properties of the human stomach under uniaxial stress action

    Publication

    The aim of this study was to estimate the range of mechanical properties of the human stomach in order to use the collected data in numerical modelling of surgical stapling during resections of the stomach. The biomedical tests were conducted in a self-developed tensile test machine. Twenty-two fresh human stomach specimens were used for the experimental study of its general strength. The specimens were obtained from morbidly obese...

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  • FE analysis of support-specimen interaction of compressive experimental test

    Publication

    - Year 2019

    The objective of this work is to investigate the support-specimen interaction during the compressive experimental testing of stiffened plates. The interaction is analyzed employing the nonlinear Finite Element Method using the commercial software ANSYS. The connection between the stiffened plate and testing supports is modelled with the use of contact elements, where several possible interaction scenarios are investigated, and...

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  • Parametrical 3D model of an asynchronous motor - AutoCAD application.

    Publication

    A computer program for automatic drawing of 3D models of squirrel-cage induction motors is presented in this paper. The created model of a machine is of parametrical nature, which means that the user defines geometry of particular elements (shaft, stator core, bearing, windings etc.) on the basis dimensions and some other parameters e.g. type of bearing, kind of winding, number of slots. This program is useful for 3D modelling...

  • Fuzzy regresion approach to road safety analysis at regional level

    Road safety modelling on regional level of NUTS 2 in the EU is the complex issue and authors of this article indicate this in previous publications. NUTS 2 are basic regions for the application of regional policies (0.8-3 m inhabitants). During multivariate models development they discovered that it is difficult to make regression model well described all regions, even if they are from one country. In the first step Poisson model...

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  • Tailoring the electrochemical degradation of iron protected with polypyrrole films for biodegradable cardiovascular stents

    Publication

    - ELECTROCHIMICA ACTA - Year 2017

    The degradation of polypyrrole (PPy) coated iron is studied in phosphate buffer saline solution at 37 °C by odd random phase multisine electrochemical impedance spectroscopy (ORP-EIS). PPy is electropolymerized with anti-inflammatory salicylates incorporated in the film, as a drug release system. The modelling of EIS over time provides the quantitative description of the corrosion behaviour of the material. Thus, the reliable...

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  • Simulation studies into quayside transport and storage yard operations in container terminals

    The focus of the paper is on quayside transport and storage yard operations in the sea container terminals. Developed algorithms for solving the issues of load handling and storage space allocation have been applied in the frame of adopted simulation model. The criteria chosen for decision making involved the total makespan of vessel unloading and the utilisation levels of the transportation trucks. Recommendations for unloading...

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  • Acoustic journal bearing - A search for adequate configuration

    Classical non-contact bearings are already used in a number of specialist applications but there are somespecialist areas where they cannot be used for variety of reasons and acoustic sliding bearings could be an alternative. The paper presents the quest for a configuration of an acoustic journal bearing and shows that the overall shape of the bearing and its geometry are of a vital importance for the load capacity oft he bearing....

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  • GPR simulations for diagnostics of a reinforced concrete beam

    Publication

    - Year 2016

    The most popular technique for modelling of an electromagnetic field, the finite difference time domain (FDTD) method, has recently become a popular technique as an interpretation tool for ground penetrating radar (GPR) measurements. The aim of this study is to detect the size and the position of damage in a reinforced concrete beam using GPR maps. Numerical simulations were carried out using the finite differ-ence time domain...

  • Scientific research in the Department of Machine Design and Automotive Engineering

    Short descriptions of various research subjects taken up at the Department of Machine Design and Automotive Engineering are included in the paper. The subjects cover a wide range of bearing systems and tribology research and the research on tires and road surfaces. A third field of activity is biomedical engineering – with the attempts to improve methods of modelling biological materials in FEM calculations. The Department has...

  • Software tool for modelling of mechatronic systems with elastic continua

    Publication

    - Year 2011

    The paper presents a systematic computational package for modelling and analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The constructed computer program enables the frequency domain analysis of a class of linear systems and to obtain reduced order model in the form of bond graph. Obtained modal bond graph can be directly exported into 20-Sim package to further processing including nonlinear...

  • Experiments and numerical modeling of meat and bone meal pyrolysis in a rotary kiln

    Publication
    • P. Ziółkowski
    • M. Kantorek

    - Year 2012

    The paper presents aspects of modelling the pyrolysis of meat and bone meal (MBM) in a rotary kiln. The pyrolysis of MBM produces a solid fraction which can be used as a fuel, a liquid fraction with potential chemical applications and a low heating value gas. The meat and bone meal pyrolysis was carried out at the temperature of 900 oC. Main features of experiments and numerical model of the pyrolysis were described. The model...

  • Numerical simulation of the influence of the selected factors on the performance of a concrete road barrier H2/W5/B

    Publication

    This paper discuss the influence of selected factors on the performance of a concrete road barrier H2/W5/B. Modelling techniques of a concrete road safety system were briefly discussed. Comparison to the full scale crash test results has been shown. The concrete road safety barrier has been investigated for evaluation of the overall damage after collision under various initial conditions. The failure assessment criterion has been...

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  • Modelling of performance of an AUV stealth vehicle. Design for operation.

    Publication

    - Year 2018

    In the paper some results of research connected with modelling of performance and risk assessment of an AUV stealth vehicle are presented. A general approach to design of the stealth AUV autonomous underwater vehicle under consideration is introduced. The basic stealth characteristics of the AUV stealth vehicle are briefly described. The method of research is introduced. The AUV stealth vehicle concept is presented including the...

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  • Modeling of performance of an AUV stealth vehicle. Design for operation.

    Publication

    - Year 2017

    In the paper some results of research connected with modelling of performance and risk assessment of an AUV stealth vehicle are presented. A general approach to design of the stealth AUV autonomous underwater vehicle under consideration is introduced. The basic stealth characteristics of the AUV stealth vehicle are briefly described. The method of research is introduced. The AUV stealth vehicle concept is presented including the...

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  • Symmetrical power line conditioner - basic properties

    Publication

    - Year 2005

    In this paper the basis of analytical modelling of the UPQC arrangements (Unified Power Quality Conditioner) in d-q rotating coordinates, as well as select results of investigations conducted on the simplified small power laboratory model, were talked over. In short form power balance as well as fundamental dependences and analytical model with regard of decoupling circuits, were investigated. Applied method for DC link capacitance...

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  • Regression points in non-intrusive polynomial chaos expansion method and D-optimal design

    Publication

    - Machine Dynamics Research - Year 2017

    The paper addresses selected issues of uncertainty quantification in the modelling of a system containing surgical mesh used in ventral hernia repair. Uncertainties in the models occur e.g. due to variability of abdominal wall properties among others. In order to include them, a non-intrusive regression-based polynomial chaos expansion method is employed. Its accuracy depends on the choice of regression points. In the study a relation...

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  • Terminal charging scheduling of battery electric buses based on vehicle routing problem

    Publication

    - Year 2023

    Electric buses are considered to be a viable solution for reducing emission in dense urban areas. However, the greater charging time is a huge challenge for operators. In this paper, charging scheduling method was elaborated based on vehicle routing problem using mixed-integer linear programming model. The main novelty of the paper is the combination of modelling aspect, namely flexible turn sequence and heterogeneous shared charging...

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  • Hierarchical random models in road transport safety

    Publication

    - Year 2015

    In this paper multilevel approach to the issue of road safety level on the road network of European regions, classified as NUTS 2 in statistical databases of the EU, has been presented. The risk calculated as the number of death casualties in road accidents per 100,000 inhabitants of a given region has Poisson distribution. Therefore, generalized Poisson model has been assumed in the modelling process. Multilevel stochastic analysis...

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  • Knowledge-Grid Modelling for Academic Purposes

    Publication

    - Year 2016

    Nowadays, we face a huge amount of data and information sharing on the Web by different users worldwide. A multidimensional perspective in describing a university ontology seems to be very important for the modelling of higher education resources. This paper proposes a multi-dimensional knowledge model, designed to distribute and manage knowledge resources efficiently. We propose our model as the foundation of an advanced knowledge...

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  • Pre-selection and assessment of green organic solvents by clustering chemometric tools

    Publication

    - ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY - Year 2018

    The study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables – bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as “green”. Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents...

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  • Modeling and experimental investigation of the small UPQC systems

    Publication

    - Year 2005

    In this paper the basis of analytical modelling of the UPQC arrangements (Unified Power Quality Conditioner) in d-q rotating coordinates, as well as select results of investigations conducted on the simplified small power laboratory model were talked over. In short form power balance as well as fundamental dependences and analytic model with regard of decoupling circuits were investigated. Applied method for DC link capacity selection...

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  • Spirometry measurement model - the diagnostic purpose support

    the paper presents a new model of respiratory mechanism based on the spirometry measurements. the spirometry test assesses the efficiency of the lung ventilation. the respiratory system functioning is based on the ventilation mechanism. thus the quality of the lung depends on the quality of lung ventilation. modelling of the respiratory system supports a diagnostic process. the model parameter estimates are obtained on the basis...