Na área de simulação de processos, existe uma visível tendência da migração das ferramentas seqüenciais modulares, que hoje são as mais amplamente utilizadas, para as baseadas em equações. Uma das principais vantagens do paradigma baseado em equações ou simultâneo é que este se mostra eficiente na solução de problemas de simulação, otimização, estimação de parâmetros e reconciliação de dados, todos baseados em um mesmo conjunto de modelos, evitando retrabalho de modelagem. Porém, a tecnologia simultânea também apresenta algumas deficiências, onde destacam-se os problemas de robustez tanto na modelagem quanto na obtenção de resultados numéricos. Este trabalho tem como objetivo reunir e desenvolver técnicas que permitam reduzir estas deficiências. Para tanto, as técnicas conhecidas para depuração de sistemas de equações que representam problemas estacionários e dinâmicos foram estudadas em detalhe. Pôde-se observar que para o caso estático os métodos disponíveis para depuração de modelos, já se apresentam em um nível bem desenvolvido. Já para o caso dinâmico, onde há uma maior complexidade, as técnicas conhecidas encontram-se em um nível de desenvolvimento muito menor. Neste ponto encontram-se as principais contribuições deste trabalho. / In the field of process simulation the movement from the sequential modular tools, which are currently the most widely used, to the equation based approach is clear. One of the key advantages of the equation based or simulatneous approach is that using a single model one can solve simulation, optimization, parameter estimation, and optimization problems. This fact avoids modeling rework for each application. However, the simultaneous technology has problems regarding modeling and solving robustness. This work aims to group and develop methods capable of minimize these deficiencies. In order to achieve this goal, available debugging approaches for both steady-state and dynamic system of equations were studied in detail. For the steady-state case well stablished debugging techniques are known. For dynamic models, where the complexity is higher, the analysis and debugging methods are much less mature. This was the source for the major contributions of this work.

Na área de simulação de processos, existe uma visível tendência da migração das ferramentas seqüenciais modulares, que hoje são as mais amplamente utilizadas, para as baseadas em equações. Uma das principais vantagens do paradigma baseado em equações ou simultâneo é que este se mostra eficiente na solução de problemas de simulação, otimização, estimação de parâmetros e reconciliação de dados, todos baseados em um mesmo conjunto de modelos, evitando retrabalho de modelagem. Porém, a tecnologia simultânea também apresenta algumas deficiências, onde destacam-se os problemas de robustez tanto na modelagem quanto na obtenção de resultados numéricos. Este trabalho tem como objetivo reunir e desenvolver técnicas que permitam reduzir estas deficiências. Para tanto, as técnicas conhecidas para depuração de sistemas de equações que representam problemas estacionários e dinâmicos foram estudadas em detalhe. Pôde-se observar que para o caso estático os métodos disponíveis para depuração de modelos, já se apresentam em um nível bem desenvolvido. Já para o caso dinâmico, onde há uma maior complexidade, as técnicas conhecidas encontram-se em um nível de desenvolvimento muito menor. Neste ponto encontram-se as principais contribuições deste trabalho. / In the field of process simulation the movement from the sequential modular tools, which are currently the most widely used, to the equation based approach is clear. One of the key advantages of the equation based or simulatneous approach is that using a single model one can solve simulation, optimization, parameter estimation, and optimization problems. This fact avoids modeling rework for each application. However, the simultaneous technology has problems regarding modeling and solving robustness. This work aims to group and develop methods capable of minimize these deficiencies. In order to achieve this goal, available debugging approaches for both steady-state and dynamic system of equations were studied in detail. For the steady-state case well stablished debugging techniques are known. For dynamic models, where the complexity is higher, the analysis and debugging methods are much less mature. This was the source for the major contributions of this work.

No description available.

No description available.

La performance énergétique est un pilier pour réduire l'utilisation d'énergie non renouvelable, en plus de l'utilisation des énergies renouvelables. En fait, les bâtiments sont au cœur de la politique des performances énergétiques de l'UE puisque 40% de la consommation finale d'énergie et 36% des émissions de gaz à effet de serre provient des bureaux, magasins et autres bâtiments. Les bâtiments peuvent être considérés comme des systèmes dynamiques et le transfert de la chaleur dans les bâtiments peut être représenté en utilisant des modèles dynamiques. De cette façon, le transfert de la chaleur dans les bâtiments peut être décrit par des réseaux thermiques obtenus en utilisant la théorie des graphes et de la thermodynamique, et peuvent être déduits de l'équation de la chaleur classique. Les réseaux thermiques peuvent être exprimés comme un système d'équations différentielles et algébriques (DAE) qui peut être transformé en représentation d'état et obtenir un fonction de transfert à partir de laquelle un modèle autorégressif avec des variables exogènes (ARX) peut être obtenu. Ces différentes structures de modèle peuvent être utilisées pour identifier les paramètres physiques des réseaux thermiques, ce qui implique que la méthode peut être utilisée pour identifier la performance intrinsèque des bâtiments et aider à la réduction de la consommation d'énergie dans les bâtiments.Cela peut faciliter l'évaluation de la performance énergétique des bâtiments dans un cadre reproductible qui permet la comparaison entre différentes solutions constructives.Les principales contributions originales de cette thèse sont: 1) les réseaux thermiques sont présentées à partir de la théorie des graphes et de la thermodynamique, sans considérer l'analogie thermique-électrique; 2) l'équation classique de la chaleur est reliée explicitement avec un système de DAE (réseau thermique) par les éléments finis; 3) différentes transformations pour déduire des modèles du transfert de la chaleur avec signification physique, à partir de l'équation de la chaleur classique, sont présentées toutes ensemble; 4) les transformations entre les modèles sont effectuées à partir des réseaux thermiques jusqu’aux modèles autorégressifs avec des variables exogènes (ARX) et vice-versa; et 5) un critère de sélection de l'ordre du modèle par une analyse de fréquence des mesures est proposé. / Energy efficiency is one of the two pillars to decrease the use of non-renewable energy besides the use of renewables energies. In fact, buildings are central to the EU's energy efficiency policy, as nearly 40% of the final energy consumption and 36% of greenhouse gas emissions take place in houses, offices, shops and other buildings. Buildings may be considered as dynamic systems and heat transfer in buildings may be represented using dynamic models. In this way, heat transfer in buildings may be described by thermal networks which may be stated considering graph theory and thermodynamics, and may be deduced from the classical heat equation. Thermal networks may be expressed as a system of linear differential algebraic equations (DAE) and the system of linear DAE may be transformed into a state-space representation from which an autoregressive model with exogenous (ARX) can be obtained. These different model structures may be used for identifying the physical parameters of thermal networks which implies that this methodology may be useful for identifying the intrinsic performance of buildings and tackling the reduction of non-renewable energy consumption in buildings. This may facilitate the assessment of energy efficiency of buildings within a reproducible framework which allows the comparison between different constructive solutions.The main original contributions of this dissertation are: 1) thermal networks are stated from graph theory and thermodynamics, leaving back the thermal-electrical analogy; 2) classical heat equation is connected explicitly to a system of DAE (thermal network) by using the finite elements; 3) the transformations for deducing heat transfer models with physical meaning from the classical heat equation are put altogether; 4) transformations between models may are done from thermal networks to autoregressive models with exogenous (ARX) and back; and 5) a criterion for selecting the order of the model by frequency analysis of measurements is proposed.

無論是東方或西方古代社會，宗教信仰與政治信仰二者的關係都是相輔相成的；尤以中國古代殷周時期，宗教與政治的信仰、權力、組織、制度更是合為一體。筆者的興趣與關注，正是周初宗教人文轉向的課題。周室承繼殷權的宗教文化傳統，從祭祀天神、地衹、鬼靈、祖宗等現象出發，透過一套象徵系統的詮釋方式，傳達出一種對宇宙、人事獨特的理解與信念。然而，夏、殷之例不遠，僅以祭祀、占卜等活動尚不足以「祈天永命」來確保國祚久安，故強調「敬德」的主體修養活動以彌補宗教活動的不足；周室遂以此信仰體系為背景，經由「敬」的自我省察工夫，把對超越界的崇敬與追尋，回返到主體對自我的覺知與省察，神秘的宗教性格遂轉化為「敬德」價值理性的生發，「敬德」與「服天命」或「受天命」之間自始產生了聯結，兩者形成了緊密的因果關係：前為因，後為果；這有效地說明天命屬意周室的正當性。此時，「天命有德→敬德保民→祈天永命」三者恰好結成牢固的繩索，「敬德」成了國祚久安的必要條件，開顯出全新的、倫理的、道德的人文面相。 　　周初宗教人文轉向的關鍵處就是，周公等人以人民根植在祭祀、占卜活動中對超越界的情感為基礎，把一貫的宗教情操巧妙地轉移至「德」價值本體上；在周公等人自覺意識的作用下，神人關係的宗教情操順利地轉化為道德情操，周初宗教精神自此一大躍進，展現了新的宗教精神，從而指點出它的道德與倫理向度；宗教理性與人文理性因而結合、消融，人文意義與價值自始受到重視與肯認。職是之故，筆者擬以周初「天命觀」與「敬德」價值理性二者互為辯證的關係為進路，從二者的形成、關連與作用面切入，分別描述周初宗教人文化的歷史進程，並就其統貫之理作一系統性的闡述。 / The relations between the religious and political beliefs are complementary either in the eastern or eastern society which beliefs, authorities, organization, systems were combined into a whole especially during the Ying-Chou period of the ancient China. The writer's interests and concerns are rightly focused on “the humanistic turn of the early Chou religion”. The Chou empire inherited the religious, cultural tradition from Ying authority, starting out from the phenomena of worshiping the heaven deity, earth deity, ghosts, ancestral spirits and expressed an unique understanding, belief for the cosmos and the living world through the interpretative way of a set of symbolic system. Whereas, that the examples of Shia, Ying authorities went just ahead made Chou empire realized that only relying on the worshiping, divining activities was insufficient to “appealing to the heaven for the eternal life of nation”; hence, they proclaimed further the subjective deed― “respecting virtue” ―for supplementing the deficiency of religious activities; given that, the Chou turned its outwardly respecting and searching for the transcendent back to the inwardly subjective awareness and introspection on self, grounded on the inherited belief system, by way of the introspective work “respecting” of self that resulted in the transformation from the mystic, religious characters into the arising of the value-ration of “respecting value”. Thus, there was connection between “respecting virtue” and “obeying the heaven's destiny”, “accepting the heaven's destiny”; the former the cause, the later the effect. The close causation occurred within them that effectively explained the legitimacy of the bestowed destiny from heaven on Chou. At this time, “the heaven bestowing destiny on those who have virtue→respecting virtue for the purpose of protecting people→appealing to the heaven for the eternal nation” these three nodes were rightly strung into a firm rope so that “respecting virtue” became the necessary condition of the eternal nation that discovered the wholly new, moral, ethical and humanistic aspects. 　　The key point of the humanistic turn of the early Chou religion was Chou-Kong and others, based on people's emotions rooted in the worshiping, divining activities for the transcendent, ingeniously turned people's inherited religious sentiments to the “virtue” itself. Under the function of Chou-Kong's self-consciousness, the religious sentiment of relations between gods and men smoothly transformed into the moral sentiment that made the religious spirit in the early Chou pushed a giant leap and opened a fully new religious spirit that directed to its moral and ethical dimensions. The religion-ration and humanity-ration were thus combined and melted; from this on, the humanistic meanings and values were acknowledged and regarded with esteem. On the grounded of that, the writer tries to make a systematic explication for its reason of unity by describing separately the historical process of the humanization of the early Chou religion from the aspects of formations, correlations and functions of both the view of “heaven's destiny” and the value-ration of “respecting virtue” among which the inter-dialectical relations used as an approach in this text.

Gegenstand dieser Arbeit ist die Frage wie thermische und photochemische Gleichgewichte verbunden werden können und sich gegenseitig beeinflussen. Dazu wurden zwei Projekte bearbeitet, zum einen das Konzept der „säure-katalysierten Zykloreversion“ und zum anderen das Konzept der „licht-induzierten pKs Veränderung“. Im ersten Konzepte wurde eine extern steuerbare, thermische Rückreaktion genutzt, um die Zusammensetzung im photostationären Zustand zu kontrollieren. Durch Zugabe von katalytischen Mengen einer starken Säure wurde die Ringöffnung eines Diarylethens, welches mit einem Flurenol substituiert ist, eingeleitet. Der zugrundeliegende Prozess wurde kinetisch und thermodynamisch, sowohl durch Experimente als auch durch computergestützte Rechnungen beschrieben. Eine säure-induzierte Dehydratation öffnet einen neuen Reaktionspfad, wodurch die normalerweise sehr hohe Reaktionsbarriere der Ringöffnung umgangen werden kann. Die quantitative Umsetzung mit Säure führt zu einer kompletten Löschung der photochemischen Reaktivität. Dieses Konzept kann in der Speicherung von Lichtenergie in photochromen metastabilen Systemen genutzt werden. Durch die Nutzung von 3-H-Thiazol-2-on als Rest im Diarylethen konnte eine signifikante pKs Änderung von 2.8 Einheiten in wässriger Umgebung erreicht werden. Dabei wurden zwei Säure-Base Gleichgewichtssysteme miteinander gekoppelt, welche an der thermischen Umwandlung gehindert sind, jedoch photochemisch ineinander überführt werden können. Des Weiteren wurde eine hohe Abhängigkeit der Quantenausbeute von dem Protonierung festgestellt. Diese wurde genutzt um die Performance der Photoreaktion zu beeinflussen. Die Beeinflussung der Photoreaktion erfolgt nicht durch Veränderung der Energetik des Grundzustandes, sondern durch Veränderung der Potentialhyperfläche des angeregten Zustandes. Durch neue molekulare Designs konnte eine signifikante Verbesserung im Vergleich zu bekannter Molekülen und Konzepten in beiden Projekten erreicht werden. / Two projects are implemented in this work, which share the goal to interconnect acid-base equilibria with the photoreactions of diarylethene (DAE) photoswitches. This task can be divided into two logic questions: How can photochemical equilibria be controlled or rather influenced via an acidic or basic stimulus and how can a photoreaction induce control over an acid-base equilibrium? In the first project, “Acid-Catalyzed Cycloreversion”, an externally tunable thermal back reaction was designed to influence a photochemical equilibrium. Upon addition of catalytic amounts of acid, a closed DAE carrying a fluorenol moiety undergoes facile thermal ring opening. The underlying thermodynamics and kinetics of the entire system have been analyzed experimentally as well as computationally. Appling an excess of acid leads to a complete inhibition of the photoreaction through the introduction of a charge-transfer. My work suggests that acid catalysis provides a useful tool to bypass thermal barriers, potentially usable to efficiently trigger the release of light energy stored in photoswitches. In the second project, entitled “Light-induced pKa Modulation”, a significant pKa change of 2.8 units in an aqueous medium was achieved by connecting two different acid-base equilibria. These thermodynamic equilibria are separated by a high activation barrier, overcome by a photoreaction. The developed system which is based on the incorporation of a 3 H thiazol 2 one moiety into a DAE, shows a strong dependency of the quantum yield and hence, of the photoconversion on the protonation state. Adjusting the pH within the range of the pKa change, a substantial enhancement of the photoconversion is achievable as well as a distinct alteration of the performance of the photoreaction. This effect does not originate from different reaction paths on the ground state potential energy surface (PES), but results presumably from a protonated state dependent difference in the excited PES.

The problem of fault diagnosis consists of detecting and isolating faults present in a system. As technical systems become more and more complex and the demands for safety, reliability and environmental friendliness are rising, fault diagnosis is becoming increasingly important. One example is automotive systems, where fault diagnosis is a necessity for low emissions, high safety, high vehicle uptime, and efficient repair and maintenance. One approach to fault diagnosis, providing potentially good performance and in which the need for additional hardware is minimal, is model-based fault diagnosis with residuals. A residual is a signal that is zero when the system under diagnosis is fault-free, and non-zero when particular faults are present in the system. Residuals are typically generated by using a mathematical model of the system and measurements from sensors and actuators. This process is referred to as residual generation. The main contributions in this thesis are two novel methods for residual generation. In both methods, systems described by Differential-Algebraic Equation (DAE) models are considered. Such models appear in a large class of technical systems, for example automotive systems. The first method consider observer-based residual generation for linear DAE-models. This method places no restrictions on the model, such as e.g. observability or regularity, in comparison with other previous methods. If the faults of interest can be detected in the system, the output from the design method is a residual generator, in state-space form, that is sensitive to the faults of interest. The method is iterative and relies on constant matrix operations, such as e.g. null-space calculations and equivalence transformations. In the second method, non-linear DAE-models are considered. The proposed method belongs to a class of methods, in this thesis referred to as sequential residual generation, which has shown to be successful for real applications. This method enables simultaneous use of integral and derivative causality, and is able to handle equation sets corresponding to algebraic and differential loops in a systematic manner. It relies on a formal framework for computing unknown variables in the model according to a computation sequence, in which the analytical properties of the equations in the model as well as the available tools for equation solving are taken into account. The method is successfully applied to complex models of an automotive diesel engine and a hydraulic braking system.

This thesis analyzes the implications of regulation on the transformation to a Digital Economy. A gap analysis shows that Czech Republic is significantly lagging behind in terms of connectivity, which is an essential precondition for a transformation to a digital age. The regulator promotes the entry of the new player as a solution for this situation. However, a simulation based on Herfindahl Hirschman Index does not support this view. This outcome is further supported by the results of correlation between market competitiveness and network advancement, which does not suggest any relationship. These findings are in line with empirical evidence from EU markets, which prove that a three-operator market is efficient and delivers attractive competitive services to the customers and society. The root cause of this situation lies in the current telecommunications regulation, which failed to create a sustainable digital ecosystem for the transition to a digital economy. This paper concludes, that regulatory framework needs to be redefined to address new challenges ahead. The regulatory priority should be shifted from service focus to encouraging long-term connectivity investments, differentiation, and competition.

We first provide a detailed background of a geometric projection methodology developed by Professor Roswitha Marz at Humboldt University in Berlin for showing uniqueness and existence of solutions for ordinary differential-algebraic equations (DAEs). Because of the geometric and operator-theoretic aspects of this particular method, it can be extended to the case of infinite-dimensional abstract DAEs. For example, partial differential equations (PDEs) are often formulated as abstract Cauchy or evolution problems which we label abstract ordinary differential equations or AODE. Using this abstract formulation, existence and uniqueness of the Cauchy problem has been studied. Similarly, we look at an AODE system with operator constraint equations to formulate an abstract differential-algebraic equation or ADAE problem. Existence and uniqueness of solutions is shown under certain conditions on the operators for both index-1 and index-2 abstract DAEs. These existence and uniqueness results are then applied to some index-1 DAEs in the area of thermodynamic modeling of a chemical vapor deposition reactor and to a structural dynamics problem. The application for the structural dynamics problem, in particular, provides a detailed construction of the model and development of the DAE framework. Existence and uniqueness are primarily demonstrated using a semigroup approach. Finally, an exploration of some issues which arise from discretizing the abstract DAE are discussed. / Ph. D.