Towards Rational Design of Porcelain Tile Glazes

2014 ◽  
Vol 92 ◽  
pp. 138-147 ◽  
Author(s):  
José Luis Amorós
Keyword(s):  
Kinetic Model ◽  
Effective Viscosity ◽  
Rational Design ◽  
Mineralogical Composition ◽  
Chemical Transformations ◽  
Crystalline Phases ◽  
Complex Behaviour ◽  
Different Temperatures ◽  
The One ◽  
Porcelain Tile

The complexity of porcelain tile glaze compositions translates into equally complex behaviour during firing in which, concurrently or in partially overlapping form, very different processes develop, such as the dissolution of crystalline phases, the crystallisation of new phases, and sintering phenomena. This complexity, and the scarcity of studies relating to the subject, make it extremely difficult to formulate such glaze compositions scientifically and efficiently. The present study analysed the physico-chemical transformations that occurred during the firing of these glazes, focusing in particular on the sintering process and its kinetics. A kinetic model was developed, first, which describes the sintering of complex glaze compositions (containing more than five components) with significant frit contents (45–70%) that devitrify crystalline phases during firing. A second, more comprehensive kinetic model was then developed, involving a formal multi-step kinetic model that encompassed even more complex glaze compositions (up to nine components), to calculate the effective viscosity of the glaze melt. This property was compared, on the one hand, with the effective viscosity obtained experimentally by hot stage microscopy (HSM) and, on the other, with that estimated theoretically from the chemical and mineralogical composition of the material, at different temperatures. The results obtained by the two methods exhibited very good agreement. The concept of effective viscosity provides a better understanding of the role played by the different glaze constituents and the firing conditions in sintering, enabling more rational design of these materials.

scholarly journals Kinetic Study of Thermal De-Chlorination of PVC-Containing Waste

2012 ◽  
Vol 730-732 ◽  
pp. 611-616 ◽  
Author(s):  
Alexandra Castro ◽  
Cândida Vilarinho ◽  
Delfim Soares ◽  
Fernando Castro
Keyword(s):  
Activation Energy ◽  
Thermal Decomposition ◽  
Thermal Treatment ◽  
Kinetic Model ◽  
Energy Recovery ◽  
Order Reaction ◽  
Pyrolysis Process ◽  
First Order ◽  
Different Temperatures ◽  
The One

The presence of organic compounds on wastes, especially plastics, is considered an important source of energy. However, most of these plastics contain polyvinyl chloride (PVC), causing recycling problems when it is considered a thermal valorization process for its treatment [1], preventing the use of those residues on these processes, which main goal is the energy recovery [2,3]. A possible solution is to remove the chlorine from PVC containing waste through a pyrolysis process before being subjected to a thermal treatment, for energetic valorization. In this work, it was developed a kinetic model for the thermal decomposition of PVC, in view of its de-chlorination. DTA/TGA testing were performed at different temperatures (between the range of decomposition temperatures of the PVC molecule) indicated a first order reaction and an activation energy of 133800 J/mol, value very close to the one obtained in others works reported [4]. A factorial plan was carried out with different temperatures, performed in lab scale, in which best results were obtained at the temperature of 340 °C, proving the kinetic model obtained.

Static and Dynamic Studies of Gasoline in View of its Octane Number and its Toxic Effect

2013 ◽  
Vol 12 (7) ◽  
pp. 451-459
Author(s):  
Ashraf Yehia El-Naggar ◽  
Mohamed A. Ebiad
Keyword(s):  
Toxic Effect ◽  
Aromatic Hydrocarbons ◽  
Octane Number ◽  
Liquid Fuel ◽  
Positive Impact ◽  
Hydrocarbon Composition ◽  
Different Temperatures ◽  
Different Seasons ◽  
The One ◽  
The Impact

Gasoline come primarily from petroleum cuts, it is the preferred liquid fuel in our lives. Two gasoline samples of octane numbers 91 and 95 from Saudi Arabia petrol stations were studied. This study was achieved at three different temperatures 20oC, 30oC and 50oC representing the change in temperatures of the different seasons of the year. Both the evaporated gases of light aromatic hydrocarbons (BTEX) of gasoline samples inside the tank were subjected to analyze qualitatively and quantitatively via capillary gas chromatography. The detailed hydrocarbon composition and the octane number of the studied gasoline samples were determined using detailed hydrocarbon analyzer. The idea of research is indicating the impact of light aromatic compounds in gasoline on the toxic effect of human and environment on the one hand, and on octane number of gasoline on the other hand. Although the value of octane number will be reduced but this will have a positive impact on the environment as a way to produce clean fuel.

Structural Evidence of Photoisomerization Pathways in Fluorescent Proteins

2019 ◽  
Author(s):  
Jeffrey Chang ◽  
Matthew Romei ◽  
Steven Boxer
Keyword(s):  
Rational Design ◽  
Fluorescent Protein ◽  
Fluorescent Proteins ◽  
Super Resolution ◽  
Unit Cell Size ◽  
Chlorine Substituent ◽  
Gfp Chromophore ◽  
The One ◽  
Green Fluorescent ◽  
Super Resolution Microscopy

<p>Double-bond photoisomerization in molecules such as the green fluorescent protein (GFP) chromophore can occur either via a volume-demanding one-bond-flip pathway or via a volume-conserving hula-twist pathway. Understanding the factors that determine the pathway of photoisomerization would inform the rational design of photoswitchable GFPs as improved tools for super-resolution microscopy. In this communication, we reveal the photoisomerization pathway of a photoswitchable GFP, rsEGFP2, by solving crystal structures of <i>cis</i> and <i>trans</i> rsEGFP2 containing a monochlorinated chromophore. The position of the chlorine substituent in the <i>trans</i> state breaks the symmetry of the phenolate ring of the chromophore and allows us to distinguish the two pathways. Surprisingly, we find that the pathway depends on the arrangement of protein monomers within the crystal lattice: in a looser packing, the one-bond-flip occurs, whereas in a tighter packing (7% smaller unit cell size), the hula-twist occurs.</p><p> </p><p> </p><p> </p><p> </p><p> </p><p> </p> <p> </p>

scholarly journals Torrefaction Thermogravimetric Analysis and Kinetics of Sorghum Distilled Residue for Sustainable Fuel Production

2021 ◽  
Vol 13 (8) ◽  
pp. 4246
Author(s):  
Shih-Wei Yen ◽  
Wei-Hsin Chen ◽  
Jo-Shu Chang ◽  
Chun-Fong Eng ◽  
Salman Raza Naqvi ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Pso Algorithm ◽  
Nitrogen Atmosphere ◽  
Computational Method ◽  
Weight Changes ◽  
Design And Optimization ◽  
Thermogravimetric Analyzer ◽  
Model Free ◽  
Different Temperatures ◽  
Kinetics Of

This study investigated the kinetics of isothermal torrefaction of sorghum distilled residue (SDR), the main byproduct of the sorghum liquor-making process. The samples chosen were torrefied isothermally at five different temperatures under a nitrogen atmosphere in a thermogravimetric analyzer. Afterward, two different kinetic methods, the traditional model-free approach, and a two-step parallel reaction (TPR) kinetic model, were used to obtain the torrefaction kinetics of SDR. With the acquired 92–97% fit quality, which is the degree of similarity between calculated and real torrefaction curves, the traditional method approached using the Arrhenius equation showed a poor ability on kinetics prediction, whereas the TPR kinetic model optimized by the particle swarm optimization (PSO) algorithm showed that all the fit qualities are as high as 99%. The results suggest that PSO can simulate the actual torrefaction kinetics more accurately than the traditional kinetics approach. Moreover, the PSO method can be further employed for simulating the weight changes of reaction intermediates throughout the process. This computational method could be used as a powerful tool for industrial design and optimization in the biochar manufacturing process.

scholarly journals Nanostructural Arrangements and Surface Morphology on Ureasil-Polyether Films Loaded with Dexamethasone Acetate

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1362
Author(s):  
Joao Augusto Oshiro ◽  
Angelo Lusuardi ◽  
Elena M. Beamud ◽  
Leila Aparecida Chiavacci ◽  
M. Teresa Cuberes
Keyword(s):  
Film Surface ◽  
Crystalline Phases ◽  
Essential Information ◽  
X Ray ◽  
Force Microscopy ◽  
Ether Oxygen ◽  
Dexamethasone Acetate ◽  
Poly Ethylene ◽  
The One ◽  
Poly Propylene

Ureasil-Poly(ethylene oxide) (ureasil-PEO500) and ureasil-Poly(propylene oxide) (u-PPO400) films, unloaded and loaded with dexamethasone acetate (DMA), have been investigated by carrying out atomic force microscopy (AFM), ultrasonic force microscopy (UFM), contact-angle, and drug release experiments. In addition, X-ray diffraction, small angle X-ray scattering, and infrared spectroscopy have provided essential information to understand the films’ structural organization. Our results reveal that while in u-PEO500 DMA occupies sites near the ether oxygen and remains absent from the film surface, in u-PPO400 new crystalline phases are formed when DMA is loaded, which show up as ~30–100 nm in diameter rounded clusters aligned along a well-defined direction, presumably related to the one defined by the characteristic polymer ropes distinguished on the surface of the unloaded u-POP film; occasionally, larger needle-shaped DMA crystals are also observed. UFM reveals that in the unloaded u-PPO matrix the polymer ropes are made up of strands, which in turn consist of aligned ~180 nm in diameter stiffer rounded clusters possibly formed by siloxane-node aggregates; the new crystalline phases may grow in-between the strands when the drug is loaded. The results illustrate the potential of AFM-based procedures, in combination with additional physico-chemical techniques, to picture the nanostructural arrangements in polymer matrices intended for drug delivery.

scholarly journals An enquiry concerning the nature of heat, and the mode of its communication

1832 ◽  
Vol 1 ◽  
pp. 139-147
Keyword(s):  
Principal Part ◽  
Cylindrical Vessel ◽  
The Other ◽  
Metallic Surface ◽  
Previous Trial ◽  
Flat Surfaces ◽  
Different Temperatures ◽  
The One ◽  
Quantity Of Heat

The importance of the investigation here entered into,—inasmuch as it applies to most of the operations of nature as well as art,—appears so manifest, that we shall not recapitulate what the author advances on that subject. Before he proceeds to the detail of his experiments for the purpose of computing the emissions of heat from various bodies under a variety of circumstances, he finds it necessary to premise a minute description of the principal part of the apparatus he contrived for his purpose. This instrument consists of a hollow cylindrical vessel of brass, four inches long, and as many in diameter. It is closed at both ends; but has at one end a cylindrical neck about eight-tenths of an inch in diameter, by which it is occasionally filled with water of different temperatures, and through which also a thermometer, constructed for the purpose, is occasionally introduced, in order to ascertain the changes of temperature in the fluid. As it was in the first instance only meant to observe the quantity of heat that escapes through the sides of the vessel, two boxes were contrived, filled and covered with non-conducting substances, such as eiderdown, fur, &c., which were fitted to the two ends or flat surfaces of the cylinder. Six of these instruments, with proper stands, and auxiliary implements of obvious construction, were prepared for the sake of comparative experiments. A previous trial was made with two of the cylinders, the vertical polished sides of the one being naked, and those of the other covered with one thickness of fine white Irish linen, strained over the metallic surface. Here it was found, contrary to expectation, that in a certain space of time the covered cylinder had lost considerably more heat than the naked one.

scholarly journals A Logistic Approach for Kinetics of Isothermal Pyrolysis of Cellulose

Processes ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 551
Author(s):  
Jorge López-Beceiro ◽  
Ana María Díaz-Díaz ◽  
Ana Álvarez-García ◽  
Javier Tarrío-Saavedra ◽  
Salvador Naya ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Time Derivative ◽  
Inert Atmosphere ◽  
Second Step ◽  
Rate Parameter ◽  
Thermogravimetric Data ◽  
Different Temperatures ◽  
Parameter Values ◽  
Kinetics Of ◽  
Logistic Functions

A kinetic model is proposed to fit isothermal thermogravimetric data obtained from cellulose in an inert atmosphere at different temperatures. The method used here to evaluate the model involves two steps: (1) fitting of single time-derivative thermogravimetric curves (DTG) obtained at different temperatures versus time, and (2) fitting of the rate parameter values obtained at different temperatures versus temperature. The first step makes use of derivative of logistic functions. For the second step, the dependence of the rate factor on temperature is evaluated. That separation of the curve fitting from the analysis of the rate factor resulted to be very flexible since it proved to work for previous crystallization studies and now for thermal degradation of cellulose.

scholarly journals A Study on the Kinetics and Mechanism of the One-Pot Formation of 3,4,5-Substituted Furan-2(5H)-Ones in the Presence of Lactic Acid: Effect of Different Substituents

2018 ◽  
Vol 43 (3-4) ◽  
pp. 286-299 ◽  
Author(s):  
Osman Asheri ◽  
Sayyed Mostafa Habibi-Khorassani ◽  
Mehdi Shahraki
Keyword(s):  
Lactic Acid ◽  
Activation Parameters ◽  
General Mechanism ◽  
Common Mechanism ◽  
Substituted Anilines ◽  
One Pot ◽  
Isokinetic Relationship ◽  
Zero Order Kinetics ◽  
Different Temperatures ◽  
The One

The kinetics of the reaction between para-substituted anilines and dimethyl acetylenedicarboxylate (DMAD) with derivatives of benzaldehyde for the one-pot formation of 3,4,5-substituted furan-2(5 H)-ones in the presence of lactic acid as a catalyst have been studied spectrophotometrically at different temperatures. A mechanism involving four steps was proposed for the reactions, all of which followed second-order kinetics. The partial orders with respect to substituted aniline and DMAD were one and one and the reactions revealed zero-order kinetics for benzaldehyde and its derivatives. Changing of substituents on benzaldehyde left rates of reaction unaffected. However, various substituents on aniline showed that para electron-withdrawing groups decreased the rate of reaction. According to investigation of an isokinetic relationship, a common mechanism exists for all studied substituents and a general mechanism can be formulated. Kinetic values ( k and Ea) and associated activation parameters (Δ G‡, Δ S‡ and Δ H‡) of the reactions were determined.

Syntheses, structures and characterization of isomorphous CoII and NiII coordination polymers based on 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole and benzene-1,4-dicarboxylate

2017 ◽  
Vol 73 (8) ◽  
pp. 645-651 ◽  
Author(s):  
Qiu-Ying Huang ◽  
Yang Zhao ◽  
Xiang-Ru Meng
Keyword(s):  
Coordination Polymers ◽  
Rational Design ◽  
Three Dimensional ◽  
Spectroscopic Properties ◽  
Polymeric Chain ◽  
Design And Synthesis ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
The One ◽  
Ir Spectroscopic

Careful choice of the organic ligands is one of the most important parameters in the rational design and synthesis of coordination polymers. Aromatic polycarboxylates have been widely used in the preparation of metal–organic polymers since they can utilize various coordination modes to form diverse structures and can act as hydrogen-bond acceptors and donors in the assembly of supramolecular structures. Nitrogen-heterocyclic organic compounds have also been used extensively as ligands for the construction of polymers with interesting structures. In the polymers catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}cobalt(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Co(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (I), and catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}nickel(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Ni(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (II), the CoII or NiII ion lies on an inversion centre and exhibits a slightly distorted octahedral coordination geometry, coordinated by two N atoms from two imidazole rings and four O atoms from two monodentate carboxylate groups and two water molecules. The dicarboxylate ligands bridge metal ions forming a polymeric chain. The 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole ligands coordinate to the CoII or NiII centres in monodentate modes through an imidazole N atom and are pendant on opposite sides of the main chain. The two structures are isomorphous. In the crystal, the one-dimensional chains are further connected through O—H...O, O—H...N and N—H...O hydrogen bonds, leading to a three-dimensional supramolecular architecture. In addition, the IR spectroscopic properties, PXRD patterns, thermogravimetric behaviours and fluorescence properties of both polymers have been investigated.

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