Hasil untuk "Chemical industries"

Georg Engelhardt, Dahai He, JunYan Luo

In this work, we investigate precision limitations in spectrophotometry (i.e., spectroscopic concentration measurements) imposed by chemical processes of molecules. Using the recently developed Photon-resolved Floquet theory, which generalizes Maxwell-Bloch theory for higher-order measurement statistics, we analyze a molecular model system subject to chemical reactions whose electronic and optical properties depend on the chemical state. Analysis of sensitivity bounds reveals: (i) Phase measurements are more sensitive than intensity measurements; (ii) Sensitivity exhibits three regimes: photon-shot-noise limited, chemically limited, and intermediate; (iii) Sensitivity shows a turnover as a function of reaction rate due to the interplay between coherent electronic dynamics and incoherent chemical dynamics. Our findings demonstrate that chemical properties must be considered to estimate ultimate precision limits in optical spectrophotometry.

Jakob Metson, Ramin Golestanian

The appearance of emergent symmetries in complex systems with components that can form composite units provides us with opportunities for design and control of exotic phase behaviour, for example by exploiting the dynamical symmetry breaking associated with them. We present a novel mechanism for the emergence of non-reciprocal interactions in a single-species suspension of chemically active colloids made out of semi-permeable vesicles, which encapsulate enzymes that catalyze a non-linear chemical reaction. Bistable chemical dynamics enables the colloidal reaction chamber to act as a net producer or consumer of a chemical, depending on the selected values of the chemical concentrations inside and around it. Since the internal chemical state of the colloid depends on the dynamic chemical concentrations rather than the material parameters, two identically produced colloids can present different effective chemical interactions within the same system upon responding to the corresponding gradients via diffusiophoresis. Furthermore, the colloids can spontaneously and reversibly switch between being effective consumers or producers. As a consequence, the colloids can dynamically switch between ignoring, attracting, repelling, and chasing each other, in a non-reciprocal manner. This flexibility can be exploited by manipulation of tuning parameters to induce bifurcations in the chemical dynamics, resulting in a robust control over the interaction motifs, and rich emergent dynamics such as spontaneous many-body polar swarming.

Sijie Li, Xiaojun Wang, Yinguang Xu et al.

C4H8O7N6, monoclinic, Pc (no. 7), a = 11.3436(2) Å, b = 7.42793(12) Å, c = 11.2349(2) Å, β = 104.220(2)°, V = 917.64(3) Å3 Z = 2, R gt(F) = 0.0250, wR ref(F 2) = 0.0667, T = 100 K.

Simone Bruno, Yi Fu, Felipe A. Campos et al.

Continuous time Markov chains are commonly used as models for the stochastic behavior of chemical reaction networks. More precisely, these Stochastic Chemical Reaction Networks (SCRNs) are frequently used to gain a mechanistic understanding of how chemical reaction rate parameters impact the stochastic behavior of these systems. One property of interest is mean first passage times (MFPTs) between states. However, deriving explicit formulas for MFPTs can be highly complex. In order to address this problem, we first introduce the concept of coclique level structure and develop theorems to determine whether certain SCRNs have this feature by studying associated graphs. Additionally, we develop an algorithm to identify, under specific assumptions, all possible coclique level structures associated with a given SCRN. Finally, we demonstrate how the presence of such a structure in a SCRN allows us to derive closed form formulas for both upper and lower bounds for the MFPTs. Our methods can be applied to SCRNs taking values in a generic finite state space and can also be applied to models with non-mass-action kinetics. We illustrate our results with examples from the biological areas of epigenetics, neurobiology and ecology.

Kelly Cavalcanti Conor de Oliveira, Cristian Faturi, Alexandre Rossetto Garcia et al.

The objective was to characterize the pastures by grazing cycle, as well as to evaluate the performance of buffaloes in intensive rotational grazing in a silvopastoral system in the eastern Amazon supplemented with agro-industry co-products in order to characterize the grazing cycles, the composition of the fractions, and the carcass yield. Fifteen non-castrated, crossbred water buffaloes (Murrah × Mediterranean) were used. All animals used in the study were clinically healthy and weighed approximately 458 kg. The animals were grazed in a single group, and supplementation (1% of live weight—LW/day) was divided into three treatments: control (control—conventional ingredients); <i>Cocos nucifera</i> coconut cake (<i>Cocos nucifera</i>) (coconut cake—70%); and palm kernel cake (<i>Guinean elaeis</i>) (palm kernel cake—70% palm kernel cake). The chemical composition of the forage is different in each part of the plant, with higher protein values in the leaves (11.40%) and higher acid detergent fiber (ADF) values in the stems (50.03%). Among the ingredients of the supplement, corn has the highest percentage of indigestible protein (35.57%), most of the protein in palm kernel cake is B3 (49.11%), and in Coco, B2 (51.52%). Mombasa grass has a higher percentage of B3 and B2 proteins; the indigestible fraction is lower in the leaves (17.16%). The leaf/stem ratio also varied between grazing cycles, being better in the second cycle (2.11%) and with an overall average of 1.71. Supplement consumption varied between cycles and was higher in the control treatment, with an overall mean of 4.74. There was no difference in daily weight gain and carcass yield, with an average of 1 kg/day and 49.23%, respectively. Therefore, it can be concluded that including supplements based on by-products from the coconut and palm oil agro-industries promotes performance and carcass yields compatible with conventional supplements. Their use reduces production costs, optimizes the utilization of forage mass, enhances the sustainability of the production chain, and, therefore, is recommended.

Maurice Pfeiffer, Xinyan Wu, Fatemeh Ebrahimi et al.

Chemical interface damping is a change in the effective collision frequency of conduction band electrons in metal originating from a chemical change of the metal interface. In this work, we present in-situ ellipsometric measurements that reveal the chemical interface damping effect from electrochemical oxidation of single crystal and polycrystalline gold films. We observe an increase in collision frequency of up to 21 meV for single-crystalline gold. To compare to results obtained with thiols and metal-oxides on gold nanoparticles, we normalize the collision frequency by the electron mean free path to the surface of the structure. We show that electrochemical gold oxidation provides a stronger effect on collision frequency than these coatings. Similar ellipsometric experiments have previously been conducted to investigate the optical properties of gold oxide, but without taking chemical interface damping into account. The change in reflection from oxidation of gold was solely attributed to the oxide coating. We also show that the chemical interface damping effect saturates at a larger effective oxide thickness, which is attributed to the stabilization of the gold-oxide interface.

Vicenç Acuña, Mira Celic, Lluís Corominas et al.

Although we have extensive datasets on the location and typology of industries, we do not know much on their generated and discharged wastewater. This lack of information compromises the achievement of the sustainable development goals focused on water (Sustainable Development Goal 6) in Europe and globally. Thus, our goal was to assess to which degree the chemical composition of industrial wastewater could be estimated based on the industry's typology according to its International Standard Industrial Classification of All Economic Activities (ISIC) class. We collected wastewater effluent water samples from 60 industrial wastewater effluents (before any wastewater treatment process), accounting for 5 samples each of 12 ISIC classes, analyzed the composition of key contaminants (i.e. European Commission rated priority compounds and watchlist), and statistically assessed the similarities and differences amongst ISIC classes using ordination and random forest analyses. The results showed statistically significant linkages between most ISIC classes and the composition of produced wastewater. Among the analytical parameters measured, the random forest methodology allowed identifying a sub-set particularly relevant for classification or eventual contamination prediction based on ISIC class. This is an important applied research topic with strong management implications to (i) determine pollution emission caps for each individual ISIC class, (ii) define monitoring schemes to sample and analyze industrial wastewater, and (iii) enable predicting pollutant loads discharged in river basins with scarce information. These encouraging results urge us to expand our work into other ISIC classes and water quality parameters to draw a full picture of the relationship between ISIC classes and produced wastewater.

Yashar Aryanfar, Jorge Luis García Alcaraz, Julio Blanco Fernández et al.

Renewable energy, particularly geothermal energy, is on the rise globally. It has been demonstrated that recovering heat lost during geothermal cycles is essential due to the inefficiency of these cycles. This paper pproposes a combined power generation cycle using EES software to model a single-flash geothermal cycle, and a trans-critical carbon dioxide cycle. The study compares the system's performance during its "Without Economizer" and "With Economizer" operational stages. The impact of the economizer on the system's output metrics, including the net power output, energy efficiency, and exergy efficiency, was examined. The results show that the "With Economizer" system's net power output increased from 451.3 kW to 454 kW. The energy efficiency difference between the two systems is based on the first law of thermodynamics, where the value ofthe "Without Economizer" system is 6.036%, and the "With Economizer" system is 6.075%. The system without an economizer had an exergy efficiency value of 26.26%, whereas the system with an economizer reached 26.43%, based on the second law of thermodynamics. Installing the economizer increased the total economic cost rate of the system from 0.225M$/Year to 0.2294M$/Year, which increased the product cost rate from 15.82$/GJ to 16.02$/GJ.

Jingyan Xu, Danila A. Barskiy

In this work, we describe essential tools of linear algebra necessary for calculating the effect of chemical exchange on spin dynamics and polarization transfer in various nuclear magnetic resonance (NMR) experiments. We show how to construct Hamiltonian, relaxation, and chemical exchange superoperators in the Liouville space, as well as demonstrate corresponding code in Python. Examples of applying the code are given for problems involving chemical exchange between NH3 and NH4+ at zero and high magnetic field and polarization transfer from parahydrogen relevant in SABRE (signal amplification by reversible exchange) at low magnetic field (0-20 mT). The presented methodology finds utility for describing the effect of chemical exchange on NMR spectra and can be extended further by taking into account non-linearities in the master equation.

Alexander Khrabry, Igor D. Kaganovich, Yuri Barsukov et al.

A reliable and compact chemical mechanism of gas-phase methane pyrolysis leading to formation of large polycyclic aromatic hydrocarbon (PAH) molecules has been developed. This model is designed for studies of carbon nanostructure synthesis such as carbon black and graphene flakes, including soot growth kinetics. Methane pyrolysis with carbon nanostructure synthesis is a two-stage process where conversion of CH4 to C2H2 precedes the growth of PAH molecules from acetylene. We present a single chemical mechanism that accurately describes both stages. We have constructed a compact and accurate chemical mechanism capable of modeling both stages of methane pyrolysis based on the ABF mechanism which was expanded with most prominent reaction pathways from the mechanism by Tao for small PAH molecules and HACA pathways for larger PAH molecules, up to 37 aromatic rings. The resulting mechanism was validated through comparison to multiple available sets of experimental data. Good agreement with the experimental data for both processes was obtained. Performance of the mechanism was tested for pyrolysis of methane-rich mixtures under long residence times leading to abundant formation of PAH molecules. It is shown that the inclusion of larger PAH species (up to A37) in the chemical mechanism is important for accurate prediction of the fraction of carbon converted to PAH molecules and, correspondingly, residual fraction of acetylene in the mixture.

Norhasyimi Rahmat, A. Abdullah, A. Mohamed

Chia-Hung Lee, Tien-Sung Lin, C. Mou

Hao Ding, Zhe Han, Junfeng Li et al.

This study aimed to investigate the effect of fibrolytic enzymes, cellulolytic fungi and lactic acid bacteria on the fermentation quality, structural carbohydrate composition and in vitro digestibility of rice straw silage. This experiment followed a completely randomised block design; four treatments were designed: (1) distilled water (control, CON); (2) fibrolytic enzymes (2.0 g/kg fresh weight (FW), E); (3) <i>Trichoderma reesei</i> (4400 U/kg FW, F); (4) <i>Enterococcus faecium</i> Y83 (1 × 10⁶ cfu/g FW, Y83). All additives were diluted with distilled water and sprayed onto the rice straw (20 mL/kg FW). The rice straw was placed into a laboratory silo (10 L) after uniformly mixing and stored at ambient temperature (17–22 °C) ensiling for 3, 7, 14, 30 and 60 days. The fermentation quality in treated silages was improved compared to the CON, as indicated by lower pH, propionic acid, acetic acid and ammonia nitrogen (NH₃-N) contents. Furthermore, Y83 had the lowest (<i>p</i> < 0.05) pH and highest (<i>p</i> < 0.05) lactic acid content after 60 days of ensiling. Y83 significantly (<i>p</i> < 0.05) decreased the neutral detergent fibre content compared with CON, E and F. In addition, E and Y83 had significantly (<i>p</i> < 0.05) higher in vitro dry matter digestibility and in vitro neutral detergent fibre digestibility than CON and F. Overall, Y83 can be used as a promising inoculant for improving the fermentation quality of rice straw silage.

Michel Henze, Wanja Reichert, Thorsten Tonnesen et al.

Abstract Refractory linings are, in addition to loads due to corrosion and creep processes, particularly affected by thermomechanical stresses caused by the restricted thermal expansion of the lining. These stresses can occur within individual components as well as in bricks and can lead to plastic deformation, cracks, and material failure. Thus, comprehensive knowledge about thermomechanical behavior is mandatory for an accurate prediction of occurring stresses to design load‐optimized linings. This paper presents a method for utilizing refractoriness under load (RUL) tests to determine a temperature dependent static Young's modulus for refractories. In a first step, RUL tests with a negligible load are carried out in order to determine the materials temperature dependent thermal expansion coefficient. Afterwards, several RUL tests with higher loads are carried out. The measured data of change in temperature and length are then corrected by the thermal expansion and used to construct elastic lines for several temperatures, where the elastic slope is determined using the change in length and the respective load. Thus, Young's modulus for several temperatures can be determined. The obtained values for the Young's modulus are then compared to resonant frequency damping analysis measurements and validated using a finite element (FE) model of the RUL test.

J. Yoshida, Yusuke Takahashi, A. Nagaki

S. A. Chatha, M. Asgher, Hafiz M.N. Iqbal

Zhang Quan, Feng Guo, Jiang Feng et al.

Monoclinic zirconia (ZrO2) whiskers were made via the molten salt method using zirconyl chloride octahydrate (ZrOCl2 • 8H2O) as zirconium source, potassium chloride (KCl) as molten salt and lithium fluoride (LiF) as a mineraliser. DSC-TG, XRD, FE-SEM, Raman and TEM were performed to study the effects of heat treatment temperature, holding time and heating rate on the synthesis of zirconia whiskers. The results indicate that zirconia whiskers with diameters of 50-80 nm and aspect ratios of 10-30 can be obtained by heating the precursor at slow rate (3°C/min) to 718°C for 1 h and then at faster rate (7°C/min) to 950°C for 3 h. The whiskers have a smooth surface and grow in [001] direction. The key to the ZrO2 whiskers growth is the controlled dissolution and precipitation of the ZrO2 in a LiF-KCl molten salt solution environment.

Adilene Mendoza-Salazar, Lourdes Santiago-López, María J. Torres-Llanez et al.

The objective of the present study was to evaluate the potential antioxidant and angiotensin converting enzyme inhibition (ACEI) activity of edible insect flours fermented with <i>Lactococcus lactis</i> strains. For the fermentation, mealworm and grasshoppers flours were dissolved (0.5% <i>w</i>/<i>v</i>) in buffer solution (pH 7.0) and individually inoculated (3%) with <i>Lactococcus lactis</i> strains (NRRL B-50571, NRRL B-50572). The samples were incubated for 72 h at 30 °C, and the pH was recorded. The degree of hydrolysis (DH) and protein content were determined. The total polyphenol compounds, antioxidant activity (ABTS, DPPH, ORAC, and FRAP), and ACEI of the <3 kDa fractions were analyzed. The pH of the fermented samples decreased to 3.5–3.9 (<i>p</i> < 0.05). The fermented grasshopper flour showed an increased DH (0.42%) and overall higher total polyphenol content (8.23 mg Gallic Acid Equivalent/mL). In general, the highest antioxidant activity was for the grasshopper fractions fermented for 24 h by <i>Lactococcus lactis</i> NRRL B-50572, which also showed 23.47% ACEI inhibition with an IC₅₀ of 0.97 mg/mL. The peptide profile obtained increased after fermentation, being higher for the mealworm flour fermented sample. This study presents, for the first time, the use of specific strains of <i>Lactococus lactis</i> for fermenting edible insect-derived products in the production of bioactive compounds with potential antioxidant and antihypertensive activity.

Shafiabadi Mina, Kamkar-Rouhani Abolghasem, Ghavami Riabi Seyed Reza et al.

Because of the significant impact of fractures on production in hydrocarbon reservoirs, identification of these phenomena is a very important issue. Image logs are one of the best tools for revealing and studying fractures in reservoir and researcher can get lots of information about geological features in wells, by studying and analyzing these logs. In this research, two approaches have been used to determine the fractures in two wells A and B located in one of the oil fields in southwest of Iran. In the first approach, using Geolog software (version-7), after processing and correction of raw image log data, the number, position, dip, extension, layering, density and expansion of fractures have been identified. In the second approach, considering that the fractures in FMI images have edges, the Canny and Sobel filters as edge detection operators in image processing have been used to detect fractures in these images.

Alain J. Brizard, Samuel M. Berry

The asymptotic limit-cycle analysis of mathematical models for oscillating chemical reactions is presented. In this work, after a brief presentation of mathematical preliminaries applied to the biased Van der Pol oscillator, we consider a two-dimensional model of the Chlorine dioxide Iodine Malonic-Acid (CIMA) reactions and the three-dimensional and two-dimensional Oregonator models of the Belousov-Zhabotinsky (BZ) reactions. Explicit analytical expressions are given for the relaxation-oscillation periods of these chemical reactions that are accurate within 5\% of their numerical values. In the two-dimensional CIMA and Oregonator models, we also derive critical parameter values leading to canard explosions and implosions in their associated limit cycles.