Time-varying system identification using modulating functions and spline models with application to bio-processes

Time dependent parameters are frequently encountered in many real processes which need to be monitored for process modeling, control and supervision purposes. Modulating functions methods are especially suitable for this task because they use the original continuous-time differential equations and avoid differentiation of noisy signals. Among the many versions of the method available, Pearson–Lee method offers a computationally efficient alternative. In this paper, Pearson–Lee method is generalized for non-stationary continuous-time systems and the on-line version is developed. The time dependent parameters are modeled as polynomial splines inside a moving data window and recursion formulae using shifting properties of sinusoids are formulated. The simple matrix update relations considerably reduce the number of computations required when compared with repeatedly using FFT. The method is illustrated for estimating the kinetic rates and yield factors as time-varying parameters in a fermentation process. The Monod law along with temperature dependency models were used to simulate the data. The simulation study shows that it is not necessary to assume a growth model in order to estimate the kinetic rate parameters.     

Effect of particle size on cesium exchange kinetics by K-depleted phlogopite

Cation exchange mechanism and rate of Cs⁺ exchange were investigated in < 2 μm and 20–2 μm particle size fractions of K-depleted phlogopite (Na-phlogopite). The K-depleted phlogopite was prepared from a natural phlogopite by a potassium removal method using sodium tetraphenylborate (NaTPB) at room temperature. X-ray diffraction (XRD) patterns revealed that interlayer K⁺ ions were completely replaced with sodium ions after the potassium removal treatment. Ion exchange isotherms and kinetics were determined for Na⁺ → Cs⁺ exchange with two particle size fractions. The isotherms indicated that both particle size fractions showed high selectivity for Cs⁺. Based on the isotherm tests, ΔG^o values of < 2 μm and 20–2 μm particle fractions were − 6.83 kJ/mol and − 7.08 kJ/mol, respectively. Kinetics of Cs exchange revealed that the 20–2 μm particle size fraction of the K-depleted phlogopite took up more Cs⁺ ions than the < 2 μm particle size fraction. Various kinetic models were applied to describe Na⁺ → Cs⁺ exchange process. Elovich model described the kinetic data of the < 2 μm particle size fraction well, while the modified first-order model or parabolic diffusion model described the data of the 20–2 μm particle size fraction well.     

Dielectric and dynamic mechanical relaxation behavior of exfoliated nano graphite reinforced flouroelastomer composites

Dynamic mechanical analysis and dielectric relaxation spectra of exfoliated nano graphite reinforced flouroelastomer composites were used to study their relaxation behavior as a function of temperature (−80°C to +40°C) and frequency (0.01 to 10⁵ Hz). The effect of filler loadings on glass transition temperature was marginal for all the composites and T_g value was in the narrow range of 7.8–8.4°C, which has been explained on the basis of relaxation dynamics of polymer chains in the vicinity of fillers. Strain‐dependent dynamical parameters were evaluated at dynamic strain amplitudes of 0.01–10%. The nonlinearity in storage modulus has been explained on the concept of filler‐polymer interaction and filler aggregation of the nano graphite platelets. The variation in real and complex part of impedance with frequency has been studied as a function of filler. The percolation of the nano graphite as studied by conductivity measurements is also reported. POLYM. COMPOS., 2009. © 2008 Society of Plastics Engineers.     

The interaction of spherical Al2O3 particles with molten Al2O3-CaO-FeOx-SiO2 slags

The present paper investigates the rate of chemical dissolution of Al₂O₃ particles in synthetic Al₂O₃-CaO-FeO_x-SiO₂ slags as a function of time under an atmosphere where Fe²⁺ would be the stable state for iron ions dissolved in the slag. Two aspects of the interaction between the Al₂O₃ spheres and slags were studied, namely (i) the speed at which the particle sinks into the slag and (ii) how rapidly the particles dissolve. The objectives are to elucidate interactions between oxide particulate material, either from the refractory wall or from the mineral constituents in the fuel feedstock, with the slag formed at the wall in entrained-slagging gasifiers.The particle settling was found to proceed first rapidly, but subsequently slowing down and this behavior was in qualitative agreement with model predictions based on a balance between gravity-, drag-, capillary-, and added mass forces. The effect of increasing temperature and FeO_x content are investigated and it is shown that both contribute towards increasing the dissolution rate. The rate appears to be governed by a combination of the driving force for dissolution and transport properties in the slag.     

Microwave-hydrothermal synthesis of barium titanate under stirring condition

The role of in situ stirring under microwave-hydrothermal (M-H) conditions on the synthesis of barium titanate was investigated for the first time by powder X-ray diffraction and scanning and transmission electron microscopy. Stirring under M-H conditions in the temperature range of 150–200 °C led to enhanced crystallization of Ba titanate as revealed by yields compared to the static condition. In addition, stirring led to smaller and more uniform crystals under M-H conditions compared to those crystallized without stirring. Powder X-ray diffraction revealed the formation of only cubic polymorph of Ba titanate at or below 200 °C in 4 h with or without in situ stirring under M-H conditions. These results show that stirring is an important parameter during M-H synthesis of nanophase Ba titanate.     

Optimizing HVOF Spray Parameters to Maximize Bonding Strength of WC-CrC-Ni Coatings on AISI 304L Stainless Steel

High velocity oxygen fuel (HVOF)-sprayed cermet coatings are extensively used to combat erosion-corrosion in naval applications and in slurry environments. HVOF spray parameters such as oxygen flow rate, fuel flow rate, powder feed rate, carrier gas flow rate, and spray distance have significant influence on coating characteristics like adhesion bond strength and shear strength. This paper presents the use of statistical techniques in particular response surface methodology (RSM), analysis of variance, and regression analysis to develop empirical relationships to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings. The developed empirical relationships can be effectively used to predict adhesion bond strength and lap shear bond strength of HVOF-sprayed WC-CrC-Ni coatings at 95% confidence level. Response graphs and contour plots were constructed to identify the optimum HVOF spray parameters to attain maximum bond strength in WC-CrC-Ni coatings.     

Screening of β1- and β2-Adrenergic Receptor Modulators through Advanced Pharmacoinformatics and Machine Learning Approaches

Cardiovascular diseases (CDs) are a major concern in the human race and one of the leading causes of death worldwide. β-Adrenergic receptors (β1-AR and β2-AR) play a crucial role in the overall regulation of cardiac function. In the present study, structure-based virtual screening, machine learning (ML), and a ligand-based similarity search were conducted for the PubChem database against both β1- and β2-AR. Initially, all docked molecules were screened using the threshold binding energy value. Molecules with a better binding affinity were further used for segregation as active and inactive through ML. The pharmacokinetic assessment was carried out on molecules retained in the above step. Further, similarity searching of the ChEMBL and DrugBank databases was performed. From detailed analysis of the above data, four compounds for each of β1- and β2-AR were found to be promising in nature. A number of critical ligand-binding amino acids formed potential hydrogen bonds and hydrophobic interactions. Finally, a molecular dynamics (MD) simulation study of each molecule bound with the respective target was performed. A number of parameters obtained from the MD simulation trajectories were calculated and substantiated the stability between the protein-ligand complex. Hence, it can be postulated that the final molecules might be crucial for CDs subjected to experimental validation.     

Estimation models for molten slag and alloy viscosities

Viscosities of molten metals and slags play vital roles in many high-temperature phenomena that are important for advancing process control and product quality in molten-metal processing and casting. Because measuring viscosities of high-temperature melts is expensive, the need exists for reliable viscosity estimation methods based on the temperature and composition of the melt. This paper reviews some available models for alloys and slags, and examples are shown for melts of interest to both ferrous and non-ferrous processing     

Direct observation of the effect of strontium on porosity formation during the solidification of aluminium-silicon alloys

Strontium is added to many aluminium-silicon casting alloys at the level of a few hundred parts per million in order to modify the structure of the eutectic. However, the addition of strontium also alters the amount and morphology of the porosity formed during solidification. The effect of strontium on porosity formation is not well understood and there is no consensus upon the cause of the changes observed. This paper investigates the effect of strontium, and its interaction with titanium-boride grain refiner, upon pore nucleation and growth using an experimental technique that allows the in situ observation of pore formation. The technique is a combination of a traditional temperature gradient stage¹ and real time micro-focus radiography, termed an x-ray temperature gradient stage or XTGS.

The addition of strontium was found to depress the eutectic temperature causing an increased total time for pore growth; however, the initial growth rate of the pores was also reduced, producing little net change in final size. Strontium additions also altered the nucleation and stability of pores within the semi-solid region. Strontium in combination with titanium-boride grain refiner produced an even stronger change in the nucleation and stability of the pores, allowing pores that floated out of the semi-solid region to remain stable, rather than dissolving back into the liquid aluminium.     

Experimental analysis of spatio-temporal behavior of anodic dead-end mode operated polymer electrolyte fuel cell

During the anodic dead-end mode operation of fuel cells, the inert gases (nitrogen and water) present in the cathode side gas channel permeate to the anode side and accumulate in the anode gas channel. The inert gas accumulation in the anode decreases the fuel cell performance by impeding the access of hydrogen to the catalyst. The performance of fuel cell under potentiostatic dead-end mode operation is shown to have three distinct regions viz. time lag region, transient current region and a steady state current region. A current distribution measurement setup is used to capture the evolution of the current distribution as a function of time and space. Co- and counter-flow operations of dead-end mode confirm the propagation of inert gas from the dead-end of anode channel to the inlet of anode. Experiments with different oxidants, oxygen and air, under dead-end mode confirm that nitrogen which permeates from cathode to anode causes the performance drop of the fuel cell. For different starting current densities of 0.15 A cm⁻², 0.3 A cm⁻² and 0.6 A cm⁻² the inert gas occupies 35%, 45% and 57%, respectively of anode channel volume at the end of 60 min of dead-end mode operation.