Introducing an Approach to Effective Mass of Activated Complex

This chapter provides the information about the concept of effective mass and effective velocity of the activated complex and its connection to the transition state theory. Therefore, these parameters are of essential importance for the field of homogenous as well as heterogeneous kinetics. They also prove to be useful for the calculation of many other properties of activated state, such as momentum, energetic density, mass flux, etc., as will be demonstrated on the example of thermal decomposition of calcite and aragonite. Since the activation energy and the momentum of activated state enable to complete the characterization of motion of this instanton (pseudoparticle) alongside the reaction coordinate, these parameters can be then considered as two quantum numbers of activated complex. The quantum numbers of activated state, that is, the activation energy and momentum, also explain the relation of activated complex to Planck energy, length and time, as well as to the Gravitational constant. This idea was also applied to derive the wave function of activated complex pseudoparticle, which is affected by the isotopic composition of the sample and polymorphism as well. Furthermore, the findings introduced in this chapter enable to derive and propose the modified Kissinger equation and experimental solution for the approximation parameter in the Doyle equation of temperature integral

Preparation and Properties of Roman Cement

Disertační práce se zabývá přípravou vysoce hydraulických pojiv na bázi románského cementu. Románský cement (přírodní cement) není v současné době u nás běžně dostupný na trhu vzhledem k neekonomičnosti produkce takto specifického pojiva. Výjimkou je několik importovaných románských cementů z Polska, Francie a USA. V současné době odborníci v oblastech restaurování, památkové péče, historici, umělci a výzkumníci z oblasti materiálů přijali nové zásady hodnocení kvality a tak se potýkáme s nedostatkem fundovaných informací o přípravě těchto hydraulických pojiv, která by splňovala všechna kritéria. A tak při opravách historických budov či jiných monumentů vystavěných z materiálů takového typu často nemůže být splněn základní princip moderních přístupů v restaurování těchto památek - a to, že materiály, které jsou k těmto pracím používány by měly být kompatibilní s materiálem originálním. Cestou k řešení tohoto problému je detailní poznání procesů přípravy románského cementu opírající se o moderní metody studia, které mohou poskytnout řadu nových informací pro zefektivnění výběru jiných zdrojů surovin než byly tradičně využívány. Naskytují se tak další možnosti pro architektonická řešení nebo dokonce pro netradiční využití pro umělecká díla. Proto se také tato disertační práce zabývá studiem orientovaným na výběr surovin a-to jak přírodních zdrojů, tak vhodných druhotných surovin, jako je např. antuka. Hlavním motivem práce je příprava vysoce hydraulických pojiv na bázi románského cementu.The Ph.D. thesis deals with the preparation of highly hydraulic binders based on roman cement. Roman cement (natural cement) is recently not available on the market due to uneconomic production of such a specific binder. On the other hand there is a big lack of information on this hydraulic binder. These results in failure in meeting the basic principle of modern approaches to restoration of historical buildings or monuments made of such kind of materials, which is such, that the materials used for restoration should be compatible with original material. Recognition of the processes of roman cement preparation based on progressive methods of study can provide substantial information for more efficient raw material selection or even for nontraditional utilization, for example for artworks. This work hence is aimed at studying and selection of traditional natural as well as nontraditional raw materials such as clay. This work also studies the preparation of highly hydraulic binders based on roman cement and the kinetics of burning and hydration processes

A Brief Introduction to the History of Chemical Kinetics

This chapter begins with a general overview of the content of this work, which explains the structure and mutual relation between discussed topics. The following text provides brief historical background to chemical kinetics, lays the foundation of transition state theory (TST), and reaction thermodynamics from the early Wilhelmy quantitative study of acid-catalyzed conversion of sucrose, through the deduction of mathematical models to explain the rates of chemical reactions, to the transition state theory (absolute rate theory) developed by Eyring, Evans, and Polanyi. The concept of chemical kinetics and equilibrium is then introduced and described in the historical context

Introduction to the Transition State Theory

The transition state theory (TST), which is also known as theory of absolute reaction rates (ART) and the theory of activated state (complex), is essentially a refined version of crude collision theory, which treats the reacting molecules as the rigid spheres without any internal degree of freedom. The theory explains the rate of chemical reaction assuming a special type of chemical equilibrium (quasi-equilibrium) between the reactants and activated state (transition state complex). This special molecule decomposes to form the products of reaction. The rate of this reaction is then equal to the rate of decomposition of activated complex. This chapter also explains the limitation of TST theory and deals with the kinetics isotope effect

Preparation of ultra-low volume weight autoclaved aerated concrete

Autoclaved aerated concrete is a modern construction material that gains its popularity especially due to its thermal insulation performance resulting from low volume weight and porous structure with sufficient mechanical strength. Nowadays, there are attempts to use this material for thermal insulation purposes and to replace current systems, which have many disadvantages, mainly concerning durability. The key for improvement of thermal insulation properties is therefore obtaining a material based on autoclaved aerated concrete with extremely low volume weight (below 200 kgm-3) ensuring good thermal isolation properties, but with sufficient mechanical properties to allow easy manipulation. This material can be prepared by foaming very fine powder materials such as silica fume or very finely ground sand. This paper deals with the possibilities of preparation and summarizes the basic requirements for successful preparation of such a material

Introduction of novel kinetic approach to calculation of activation energy and its application to the sinter-crystallization of strontian feldspar

The kinetics, the mechanism and the thermodynamics of activated state of formation of primary strontian feldspar via sinter-crystallization of non-equilibrium melt during the thermal treatment of ceramic body was investigated in this work via differential thermal analysis using isoconversional Kissinger kinetic equation. The process of formation of non-equilibrium melt and subsequent crystallization of primary strontian feldspar requires the activation energy of 631±3 and 664±2 kJ mol1, respectively. The investigation of mechanism of formation of primary strontian feldspar reveals that the process is driven by the surface nucleation and diffusion controlled growth of the new phase. The nucleation rate decreases with the time of process and non-equilibrium melt can be formed only in metastable equilibrium with activated state of strontian feldspar. Deep consideration of kinetic data leads to the deduction of new kinetic approach that enables single calculation of activation energy and frequency factor of heterogeneous processes as well as the dependence of thermodynamic parameters of activated state on temperature. Further consideration of kinetic data reveals that the activation energy is directly proportional to the function of csch (z)+1. For z=e, this term enables to derive the value for the parameter B(x) in empirical equation for Arrhenius temperature integral p(x) proposed by Doyle to be 1.0642

The determination of the influence of pH value of curing conditions on Portland cement hydration

Water composition during cement hydration can be changed due to migration of ions from the cement matrix to the solution. The storage of various materials together can lead to transfer of various ions and distortion of results. This article is aimed on the influence of storage environment on the Portland cement hydration and hydrated samples composition. Test specimens were prepared and stored in different environments. Storage environments were ultrapure water and solutions having alkaline and acidic pH value. The mechanical properties were measured after 1, 7 and 28 days. Composition of samples stored in different environment was tested by X-ray diffraction and DTA analysis. (C) 2016 Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license