This master's thesis deals with modelling and simulation of physical phenomena by cellular automata. The basic methods which model physical phenomena is enumerated and descibed in this thesis. One of the important part of this thesis is a set of demonstration models. Each model is focused on one selected area of physical phenomena. All models are described by transtition rules and the procedure of derivation of these rules is also presented here. There rules were used in implemented models.  Another part of this thesis contains of a simulation application for these models. The real application had been implemented in accord with this design and it has been used to perform the simulation experiments with exemplary models. Results of the simulation experiments are discussed in conclusion of this thesis. One exemplary model had also been adapted for parallel processing. The performances on a computer with different count of working processors were measured and are also discussed in the conclusion of this thesis

No description available.

<p>Svojim sastavom plevica predstavlja veoma<br />atraktivnu sirovinu za proizvodnju enzima. Sa druge<br />strane, dosada&scaron;nja upotreba ovog nusproizvoda<br />prerade žita je bila samo kao hrana za stoku. Stoga<br />se postavlja pitanje mogućnosti dobijanja veće<br />ekonomske i ekolo&scaron;ke dobiti primenom date<br />sirovine za proizvodnju nekog visoko vrednog<br />proizvoda, kao &scaron;to su enzimi, uz valorizaciju ostalih<br />izlaznih tokova procesa sa ciljem postizanja<br />koncepta čistije proizvodnje, ondosno koncepta<br />nulte emisije. Upravo simulacioni modeli<br />postrojenja predstavljaju pomoćnu alatku za<br />izvođenje ekonomske analize i drugih proračuna<br />vezanih za bioproces, a bitnih za projektovanje. Za<br />potrebe generisanja ovakvih modela, a kasnije i<br />kontrolu samog bioprocesa, nužno je poznavati<br />matematičke modele i njihove parametre vezane za<br />dati proces. Utvrđivanje ovih matematičkih<br />jednačina ima smisla samo kada se bioproces izvodi<br />pod optimalnim uslovima. Da bi se proces<br />optimizovao neophodno je detaljno proučavanje<br />proizvodnje enzima kultivacijom nusproizvoda<br />preradežita pri različitim procesnim parametrima</p> / <p>With its composition wheat chaff represents a very<br />attractive raw material for the production of<br />enzymes. On the other hand, the previous use of<br />this by-product of wheat processing was just like<br />cattle food. Therefore, the question arises of the<br />possibility of obtaining greater economic and<br />environmental profit by using the raw material for<br />the production of high-value products, such as<br />enzymes, with the valorization of other process<br />outputs in order to achieve the cleaner production<br />concept, i.e. the zero-emission concept. Simulation<br />models of the plant are an auxiliary tool for<br />conducting economic analysis and other<br />bioprocessing budgets, which are important for<br />designing. For the purposes of generating such<br />models, and later controlling the bioprocess itself,<br />it is necessary to know the mathematical models<br />and their parameters related to the given process.<br />Determining these mathematical equations makes<br />sense only when the bioprocess is performed<br />under optimal conditions. In order to optimize the<br />process it is necessary to study the enzyme<br />production in detail by cultivating by-products of<br />grain processing in different process parameters.</p>

<p>Istraživanja iz okvira ove doktorske disertacije obuhvatila su optimizaciju, kinetičko modelovanje i simulaciju dobijanja etanola fermentacijom izluženih repinih rezanaca ili ekstrakcionog, retkog i gustog soka primenom metode odzivne povr&scaron;ine, različitih kinetičkih modela i programa SuperPro Designer, redosledom.<br />Optimizacijom bioprocea doprineto je razumevanju različitih operativnih uslova, kao i međusobnih interakcija ispitanih varijabli na predtretman, hirolizu i fermentaciju date biomase. Izvođenjem procesa pod optimalnim uslovima definisana kinetika proizvodnog procesa, a dobijeni kinetički modeli su omogućili projektovanje čitavog bioprocesa kroz simulaciju. Krajnji model bioprocesa može olak&scaron;ati definisanje materijalnih i energetskih bilansa, dimenzionisanje opreme, pravljenje plana proizvodnje, analizu produktivnosti i uklanjanje &bdquo;uskih grla&ldquo;, analizu tro&scaron;kova, ekonomske isplativosti i kapaciteta proizvodnje, sprečavanje zagađenja i njenu kontrolu, itd.<br />Na osnovu toga se mogu dobiti konkretni podaci koji olak&scaron;avaju dono&scaron;enje odluka o ulaganju, odnosno realizaciji projekta datog bioprocesa.</p> / <p>Research from this framework of this study included optimization, kinetic modeling and simulation of obtaining ethanol by fermentation of spent sugar beet pulp or raw, thin and thick juice by using RSM (Response Sruface Methodology), different kinetic equations and software SuperPro Designer, respctively.<br />Bioprocess optimization contrbuted to better understanding of different operating conditions, as well as the interactions of examined parameters on pretreatment, hydrolysis and fermentation of lignocellulosic feedstock. Running the process under optimal conditions made it possible to define the kinetics of the production process, and tha obtained kinetic models were used to design the entire process through simulations. The obtained final model of the bioprocess can faciliatate defining the material and energy balances, equipment sizing, production planing, productivity analysis, debottlenecking, cost analysis, economic feasibility and production capacity, pollution prevention and control, etc.<br />Based on that, concrete data could be obtained which facilitate decision making about investing, i.e. this bioproces project realisation.</p>

No description available.

My research deals with the interplay between metabolism and transport of resveratrol and its metabolites. It takes into account the role of uptake and efflux transporters and enterohepatic circulation in the disposition of resveratrol and conjugated metabolites of resveratrol. The issue of enzyme- and transporter-mediated drug-drug interaction (DDI) is also addressed. Chapter 1 presents an introduction to resveratrol, its biological activities as well as its interactions with enzymes and transporters. It provides a background for enzyme inhibition. It also explains the hypotheses and describes in short, the studies performed. Chapter 2 is based on P450 enzyme inhibition. In the first part of this chapter, we explored the ability of sandwich cultured cryopreserved human hepatocytes to predict inhibition parameters and drug-drug interaction (DDI) values. Two lots of cryopreserved human hepatocytes were used to predict inhibition parameters. The predicted DDI values were compared with those reported in literature and clinical studies and were found to be within 1.5 fold of those reported in clinical studies. The second part of this chapter focuses on the potential of resveratrol or resveratrol-3-glucuronide (R3G) to inhibit CYP2C8. CYP2C8 has been found to be inhibited by glucuronide metabolite such as gemfibrozil-O-β-glucuronide and clopidogrel-β-glucuronide. Hence, we examined the potential of resveratrol, R3G and resveratrol-3-sulfate (R3S) to inhibit CYP2C8. We found that resveratrol, R3G and R3S inhibited CYP2C8 in a reversible manner. Chapter 3 details studies performed in human cancer cell lines (HT-29 and Caco-2) to study the role of uptake transporters in the disposition of resveratrol and R3G. Western blotting was initially performed to examine the expression of OATP1B transporters in cancer cell lines. Uptake studies were performed in HT-29 and Caco-2 cell lines with atorvastatin as a positive control. Both, western blots and uptake studies were inconclusive in detecting the presence of OATP1B transporters. Our studies showed that resveratrol undergoes passive diffusion and sulfation in Caco-2 cell line. The uptake of R3G in Caco-2 cell line was not detectable. In chapter 4, we evaluated the impact of inhibition of efflux transporters on the disposition of resveratrol, R3G and R3S. Mrp2 and bcrp inhibition studies were performed in mice and resveratrol, R3G and R3S were monitored using LC-MS/MS. Non-compartmental analysis was performed to obtain pharmacokinetic parameters. We observed that the inhibition of efflux transporters had a greater impact on area under the curve (AUC) of R3S as compared to R3G and resveratrol. Resveratrol and R3G have been shown to undergo enterohepatic circulation (EHC). This occurs due to the action of gut bacterial β-glucuronidase. This enzyme converts the glucuronide metabolite into parent, which is reabsorbed into enterocytes. The impact of inhibition of gut bacterial β-glucuronidase due to antibiotics was studied in chapter 5. Elimination of gut microbiome was attempted by using a combination of neomycin and bacitracin. Non-compartmental analysis was performed on the observed data. There was no observable difference in the AUCs of resveratrol, R3G and R3S. Chapter 6 deals with simulations performed using an existing pharmacokinetic model to explain the data obtained upon transporter and EHC inhibition. The simulations showed that the inhibition of transporters seemed to decrease the elimination rate constant of R3G and R3S. In summary, we investigated the impact of transporters on pharmacokinetics of resveratrol and its major metabolites. We also investigated P450 inhibition in sandwich cultured human hepatocytes and the potential of resveratrol, R3G and R3S to inhibit rCYP2C8. We were able to show that inhibition of transporters does impact pharmacokinetics of R3S and R3G. / Pharmaceutical Sciences

Conical spouted beds have been commonly used for drying suspensions, solutions and pasty materials. They can also be utilized in many other processes, such as catalytic partial oxidation of methane to synthesis gas, coating of tablets, coal gasification and liquefaction, pyrolysis of sawdust or mixtures of wood residues. The main objectives of this work include both the experimental research and mathematical modelling of the conical spouted bed hydrodynamics. For experimental research, pressure transducers and static pressure probes were applied to investigate the evolution of the internal spout and the local static pressure distribution; optical fibre probes were utilized to measure axial particle velocity profiles and voidage profiles; the step tracer injection technique using helium as the tracer and thermal conductivity cells as detectors was used to investigate the gas mixing behaviour inside a conical spouted bed. It was found that many factors might affect calibration of the effective distance of an optical fibre probe. Therefore, a new calibration setup was designed and assembled, and a comprehensive sensitivity analysis was conducted to calibrate the optical probes used in this study. For mathematical modelling, a stream-tube model based on the bed structure inside a conical spouted bed was proposed to simulate partial spouting states. By introducing an adjustable parameter, this model is capable of predicting the total pressure drop under different operating conditions, and estimating axial superficial gas velocity profiles and gauge pressure profiles. A mathematical model based on characteristics of conical spouted beds and the commercial software FLUENT was also developed and validated using measured experimental data. The proposed new CFD model can simulate both stable spouting and partial spouting states, with an adjustable solids-phase source term. At stable spouting states, simulation results agree very well with almost all experimental data, such as static pressure profiles, axial particle velocity profiles, voidage profiles etc. A comprehensive sensitivity analysis was also conducted to investigate the effect of all possible factors on simulation results, including the fluid inlet profile, solid bulk viscosity, frictional viscosity, restitution coefficient, exchange coefficient, and solid phase source term. The proposed new CFD model was also used successfully to simulate gas mixing behaviours inside a conical spouted bed, and simulate cylindrical packed beds as well as cylindrical fluidized beds in one code package.

Conical spouted beds have been commonly used for drying suspensions, solutions and pasty materials. They can also be utilized in many other processes, such as catalytic partial oxidation of methane to synthesis gas, coating of tablets, coal gasification and liquefaction, pyrolysis of sawdust or mixtures of wood residues. The main objectives of this work include both the experimental research and mathematical modelling of the conical spouted bed hydrodynamics. For experimental research, pressure transducers and static pressure probes were applied to investigate the evolution of the internal spout and the local static pressure distribution; optical fibre probes were utilized to measure axial particle velocity profiles and voidage profiles; the step tracer injection technique using helium as the tracer and thermal conductivity cells as detectors was used to investigate the gas mixing behaviour inside a conical spouted bed. It was found that many factors might affect calibration of the effective distance of an optical fibre probe. Therefore, a new calibration setup was designed and assembled, and a comprehensive sensitivity analysis was conducted to calibrate the optical probes used in this study. For mathematical modelling, a stream-tube model based on the bed structure inside a conical spouted bed was proposed to simulate partial spouting states. By introducing an adjustable parameter, this model is capable of predicting the total pressure drop under different operating conditions, and estimating axial superficial gas velocity profiles and gauge pressure profiles. A mathematical model based on characteristics of conical spouted beds and the commercial software FLUENT was also developed and validated using measured experimental data. The proposed new CFD model can simulate both stable spouting and partial spouting states, with an adjustable solids-phase source term. At stable spouting states, simulation results agree very well with almost all experimental data, such as static pressure profiles, axial particle velocity profiles, voidage profiles etc. A comprehensive sensitivity analysis was also conducted to investigate the effect of all possible factors on simulation results, including the fluid inlet profile, solid bulk viscosity, frictional viscosity, restitution coefficient, exchange coefficient, and solid phase source term. The proposed new CFD model was also used successfully to simulate gas mixing behaviours inside a conical spouted bed, and simulate cylindrical packed beds as well as cylindrical fluidized beds in one code package.

The network externality function plays a very important role in the study of economic network industries. Moreover, the consumer group dynamic interactions coupled with network externality concept is going to play a dominant role in the network goods in the 21st century. The existing literature is stemmed on a choice of externality function with certain quantitative properties. The utility function coupled with the network externality function is used to investigate static properties of rational equilibrium. The aim of this work is to systematically initiate a development of quantitative effects of the concept of network externality and its influence on the characteristics of network market equilibrium. We introduce several basic concepts, notably, network externality process and network goods. Formulating a principle of network externality, we developed a mathematical dynamic model (1) for the network externality process. A closed form solution of the mathematical model was determined and analyzed (2). The presented qualitative and quantitative analysis provides a systematic and unified way of constructing the existing network externality function. The solution process is called "Generalized Network Externality Function (GNEF)". Moreover, our study of quantitative description, parametric representation of attributes and sensitivity analysis of network externality process provides a tool for planning, policy and performance for network goods (3). In the absence of desired data set, we presented an illustration to exhibit the significance of GNEF. We used two types of data sets on the US banking asset and deposit. Employing nonlinear regression methods and data sets, we developed statistical models for the US banking asset and deposit, and constructed two normalized the US banking deposit models (4). Finally, using the concept of theory of relative growth and GNEF (4), we developed two dynamic models for the network externality for the US banking asset with respect to the US banking deposit as a financial market share (5). Incorporating the GNEF (2) in the consumer utility function, a concept of market share adjustment function is introduced and utilized to develop dynamic models for existing rational and static expectation processes (6). In fact, the role and scope of dynamic models of market share adjustment process are extended to the well-known adaptive expectation and its extension process (7). Using a fixed point theorem and the method of upper and lower solutions of discrete time processes, the existence of equilibrium states of developed dynamic models of market share adjustment processes are established in a systematic way (8). Furthermore, the qualitative properties (stability and oscillatory) of equilibrium states are investigated in terms of model and speed of adjustment parameters. Moreover, the system parameter space is decomposed according to qualitative properties (stability, instability and oscillatory) and the type of expectation processes. Very recently, the idea of local network externality is utilized to characterize the rational equilibrium (under fulfilled expectation assumptions). From the study on two-scale network dynamic model of human mobility process an eco-socio-culture interactions, we note that heterogeneity in the network goods consumer community generates a local network externality. Furthermore, dynamic models of adaptive expectation processes (6,7) for network goods provide tool to extend the characterization of rational equilibrium study to static, current and lagged adaptive types equilibriums. Here, we treat the consumer decision to be a dynamic process. We formulate a dynamic structural representation of a consumer network structure, structure of utility function and decision rule under the influence of local network externality concept (9). For the consumer network structure, we generalize the one-dimensional Hotelling location line model to multi-dimensional location (10). This formulation generates a mathematical model for a consumer decision dynamic process (11). The byproduct of the dynamic model leads to an agent-based simulation model (12). The simulation model is employed to investigate different types of consumer decision dynamic market equilibriums. Moreover, prototype illustrations are given to exhibit the association between network attributes and its market equilibriums. We extend the work of two firms (duopoly) into multi-firms (oligopoly and monopolistic competition). This work shed light on the policies for manager to meet performance goal of their firm in network goods industry. In future, we propose to extend this work to incorporate random fluctuations, to remove restrictions and the local and global economic framework in the 21st century.

Chronic pain has no cure. It is a lifelong condition presenting a growing concern due to its high occurrence and effects on every facet of life. It cost about $635 billion each year in medical treatment and lost productivity (IOM, 2011). The management of chronic pain using prescription painkiller opioids has increased drastically in the last two decades, leading to a consequential increase in deaths from chronic opioid use. This Plan-Do-Study-Act quality improvement project investigates the problem of the prevalence of opioid prescription using agent-based computational modeling method. The simulation models the interaction of 50 patient-agents with pain self-management messages in an episode of 50 patient iterations (visits) for 10 simulated years. This interaction generates health benefit and risk outcomes represented by wellness data obtained when messages are processed. As the simulation runs, data are dynamically captured and visualized using wellness charts, time series plots, and benefit and risk regression plots. The result of the project provides evidence for research and practice on the process of achieving more impact of programs based on administering pain self-management education to patients with chronic non-cancer pain who are currently on opioid therapy and on the process of customizing interventions that might take advantage of the conditions of behavior change driven by pain self-management messages. The tools and the evidences in this project are highly recommended to nurse practitioners primary care providers involve with providing care to the vulnerable groups of patient with chronic non-cancer pain. These evidences might inform the formation of self-management interventions that might lead to a decline in opioid use and prescription and accelerate the acceptance of self-management practices.