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Journal articles on the topic 'Chemical equilibrium – Data processing'

Author: Grafiati

Published: 4 June 2021

Last updated: 16 February 2022

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1

Oktavian, Rama, Agung Ari Wibowo, and Zuraidah Fitriah. "Study on Particle Swarm Optimization Variant and Simulated Annealing in Vapor Liquid Equilibrium Calculation." Reaktor 19, no. 2 (2019): 77–83. http://dx.doi.org/10.14710/reaktor.19.2.77-83.

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Phase equilibrium calculation plays a major rule in optimization of separation process in chemical processing. Phase equilibrium calculation is still very challenging due to highly nonlinear and non-convex of mathematical models. Recently, stochastic optimization method has been widely used to solve those problems. One of the promising stochastic methods is Particle Swarm Optimization (PSO) due to its simplicity and robustness. This study presents the capability of particle swarm optimization for correlating isothermal vapor liquid equilibrium data of water with methanol and ethanol system by

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2

Buera, Maria Pilar, Yrjö Roos, Harry Levine, et al. "State diagrams for improving processing and storage of foods, biological materials, and pharmaceuticals (IUPAC Technical Report)." Pure and Applied Chemistry 83, no. 8 (2011): 1567–617. http://dx.doi.org/10.1351/pac-rep-10-07-02.

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Supplemented temperature/composition phase diagrams include the non-equilibrium glass-transition temperature (Tg) curve and equilibrium ice-melting and solubility curves. The inclusion of the non-equilibrium curve allows one to establish relationships with the time coordinate and, thus, with the dynamic behavior of systems, provided that the thermal history of such systems is known. The objective of this report is to contribute to the potential applications of supplemented state diagrams for aqueous glass-formers, in order to describe the influence of water content, nature of vitrifying agents

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3

LIU, SHA, and JING QIU ZHANG. "CALCULATION AND PLOTTING OF STANDARD FREE ENERGY CHANGES AND EQUILIBRIUM CONSTANTS FOR CVD HARD COATINGS REACTIONS." Surface Review and Letters 12, no. 05n06 (2005): 727–31. http://dx.doi.org/10.1142/s0218625x05007955.

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CVD (chemical vapor deposition) coatings such as TiC , TiN , Al 2 O 3 and so on are widely used as tools' surface preserved materials with corrosion resistance and wear resistance. Standard Gibbs free energy changes for reactions are widely used to approximately analyze the trends of substance reactions and phase transitions in chemical reactions, metallurgy processes, materials synthesis and processing. Hard coatings and thin films can be prepared by CVD process. Accurate calculation and plotting of the standard free energy changes and equilibrium constants for CVD TiC , TiN , Al 2 O 3 coatin

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4

Eriksson, Gunnar, and Erich Königsberger. "FactSage and ChemApp: Two tools for the prediction of multiphase chemical equilibria in solutions." Pure and Applied Chemistry 80, no. 6 (2008): 1293–302. http://dx.doi.org/10.1351/pac200880061293.

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The integrated thermochemical databank system FactSage enables the user to calculate equilibria and thermodynamic properties for a wide variety of multicomponent, multiphase systems and reactions. The Gibbs energy models and databases for condensed, gaseous, and aqueous solutions presently implemented in FactSage are of interest to chemical and physical metallurgy, chemical and corrosion engineering, inorganic and solution chemistry, geochemistry, environmental science, etc. Models for the aqueous phase include the Pitzer and Helgeson formalisms, but data and subroutines for concentrated aqueo

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5

Ervens, B., and R. Volkamer. "Glyoxal processing outside clouds: towards a kinetic modeling framework of secondary organic aerosol formation in aqueous particles." Atmospheric Chemistry and Physics Discussions 10, no. 5 (2010): 12371–431. http://dx.doi.org/10.5194/acpd-10-12371-2010.

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Abstract. This study presents a modeling framework based on laboratory data to describe the kinetics of glyoxal reactions in aqueous aerosol particles that form secondary organic aerosol (SOA). Recent laboratory results on glyoxal reactions are reviewed and a consistent set of reaction rate constants is derived that captures the kinetics of glyoxal hydration and subsequent reversible and irreversible reactions in aqueous inorganic and water-soluble organic aerosol seeds to form (a) oligomers, (b) nitrogen-containing products, (c) photochemical oxidation products with high molecular weight. The

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Yakhyaev, M. A., V. S. Gutenkov, and Yu A. Pisarenko. "DEVELOPMENT OF REACTION-RECTIFICATION PROCESS OF OBTAINING MESITYL OXIDE. I. SIMULATION OF KINETICS AND PHASE EQUILIBRIUM IN THE REACTION SYSTEM." Fine Chemical Technologies 13, no. 5 (2018): 5–13. http://dx.doi.org/10.32362/2410-6593-2018-13-5-5-13.

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Mesityl oxide is an important product of organic synthesis, which is used in the manufacture of pharmaceuticals and as a solvent. The demand for mesityl oxide is growing, which determines the need for further improvement of its production. The disadvantages of the traditional methods of obtaining mesityl oxide are low values of reagent conversion and selectivity. To eliminate them, it is proposed to obtain mesityl oxide in a combined reaction-rectification process. The combination of chemical transformation and separation of the resulting reaction mixture by means of rectification in one appar

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Ervens, B., and R. Volkamer. "Glyoxal processing by aerosol multiphase chemistry: towards a kinetic modeling framework of secondary organic aerosol formation in aqueous particles." Atmospheric Chemistry and Physics 10, no. 17 (2010): 8219–44. http://dx.doi.org/10.5194/acp-10-8219-2010.

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Abstract. This study presents a modeling framework based on laboratory data to describe the kinetics of glyoxal reactions that form secondary organic aerosol (SOA) in aqueous aerosol particles. Recent laboratory results on glyoxal reactions are reviewed and a consistent set of empirical reaction rate constants is derived that captures the kinetics of glyoxal hydration and subsequent reversible and irreversible reactions in aqueous inorganic and water-soluble organic aerosol seeds. Products of these processes include (a) oligomers, (b) nitrogen-containing products, (c) photochemical oxidation p

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8

Farias, Juliana Fermino, Mirele Fernandes Ferreira, Wagner André dos Santos, and Evandro Bona. "Determination of the water sorption isotherms for cassava flour." Revista Brasileira de Pesquisa em Alimentos 1, no. 2 (2010): 83. http://dx.doi.org/10.14685/rebrapa.v1i2.21.

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<p>Cassava is a nourishing food and widely consumed in Brazil in the form of flour. However, it is necessary a more detailed study of the physical-chemical properties of the cassava flour and thus optimize its processing steps such as drying. The objective of this work was to obtain the water sorption isotherms for the cassava flour at different temperatures. For this aim, experiments were carried out using the static method with saturated saline solutions at 30, 40, 60 and 70&deg;C. The data obtained were adjusted on available literature equations using the software MATLAB R2007b. T

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9

Tarasov, Yu I., I. V. Kochikov, D. M. Kovtun, E. A. Polenov, and A. A. Ivanov. "Internal rotation and equilibrium structure of the 2-methyl-2-nitropropane molecule from joint processing of gas phase electron diffraction data, vibrational and microwave spectroscopy data, and quantum chemical calculation results." Journal of Structural Chemistry 58, no. 3 (2017): 498–507. http://dx.doi.org/10.1134/s0022476617030106.

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10

Elisante, Emrod. "Development of Pilot Plant for Bio-Ethanol Processing." Tanzania Journal of Engineering and Technology 33, no. 1 (2010): 9–17. http://dx.doi.org/10.52339/tjet.v33i1.449.

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The paper outlines achievements obtained in developing a pilot bio-ethanol plant at the Department of Chemical and Mining Engineering (CME), University of Dar es Salaam. The pilot plant consists of: 30 L inoculums tank; 1,700 L fermenter; 1,500 L/day distillation column; and ancillary equipment. The prototype is a platform intended to be used for technology demonstration and research by graduate and undergraduate students studying the production of bio-ethanol using traditional and non-traditional raw materials like coffee mash, cashew fruit, and sisal inulin. The equipment has been developed

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Sayğılı, Gülbahar Akkaya. "2,4-d Pesticide Adsorption Performance Of The Biomagnetic Composite." Academic Perspective Procedia 2, no. 3 (2019): 1224–28. http://dx.doi.org/10.33793/acperpro.02.03.136.

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In this study, a global waste was transformed a valuable and useful material by a comprehensive experimental setup. Lentil processing waste-based activated carbon with a high surface area of 1875 m2/g was synthesized by microwave-assisted K2CO3 chemical activation and then successfully converted into a ferrospinel composite. The synthesized ferrospinel composite was applied as an effective adsorbent material in the treatment of 2,4-dichlorphenoxyacetic acid herbicide bearing wastewater. Kinetic modeling of the experimental data obeyed the pseudo-second order model and the equilibrium studies w

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Canciam, César Augusto, and Nehemias Curvelo Pereira. "Assessment of the Use of Epicarp and Mesocarp of Green Coconut for Removal of Fluoride Ions in Aqueous Solution." International Journal of Chemical Engineering 2019 (September 2, 2019): 1–8. http://dx.doi.org/10.1155/2019/7163812.

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Fruit consumption and processing result in considerable volumes of residual biomass. Transformation of this biomass into biosorbents offers an alternative for its reuse and disposal. As the green coconut shell is a waste often discarded in landfills and dumps, generating gases and leachate, two biosorbents were developed from the epicarp and mesocarp of green coconut to adsorb fluoride ions in aqueous solution. The kinetic experiments showed that sorption of fluoride ions reached equilibrium at 300 min for both epicarp and mesocarp at temperatures of 25°C, 35°C, and 45°C. The removal efficienc

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Piacenza, Elena, Alessandro Presentato, Marta Bardelli, Silvia Lampis, Giovanni Vallini, and Raymond J. Turner. "Influence of Bacterial Physiology on Processing of Selenite, Biogenesis of Nanomaterials and Their Thermodynamic Stability." Molecules 24, no. 14 (2019): 2532. http://dx.doi.org/10.3390/molecules24142532.

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We explored how Ochrobactrum sp. MPV1 can convert up to 2.5 mM selenite within 120 h, surviving the challenge posed by high oxyanion concentrations. The data show that thiol-based biotic chemical reaction(s) occur upon bacterial exposure to low selenite concentrations, whereas enzymatic systems account for oxyanion removal when 2 mM oxyanion is exceeded. The selenite bioprocessing produces selenium nanomaterials, whose size and morphology depend on the bacterial physiology. Selenium nanoparticles were always produced by MPV1 cells, featuring an average diameter ranging between 90 and 140 nm, w

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Shtin, S. V., та A. A. Lykasov. "Investigation of the Equilibrium Germanium-Substituted Wustite with Metal and Spinel Solutions in the Fе-Gе-O System". Solid State Phenomena 265 (вересень 2017): 827–33. http://dx.doi.org/10.4028/www.scientific.net/ssp.265.827.

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The phase equilibrium in the Fe-Ge-O system is investigated by measuring EMF of galvanic elements with solid oxygen-conductive electrolytes. The samples for investigation were prepared by the solid phase reaction at 900 °C. The samples were analyzed to determine the total and phase composition. The gross composition of the samples was refined by chemical analysis. The iron content was determined by the standard method of bichromatometric titration, while that of germanium was determined by the photometric method, which is based on measuring the optical density of the colored colloid solution o

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15

Mirčeski, Valentin, Dariusz Guziejewski, and Rubin Gulaboski. "Electrode kinetics from a single square-wave voltammogram." Macedonian Journal of Chemistry and Chemical Engineering 34, no. 1 (2015): 181. http://dx.doi.org/10.20450/mjcce.2015.654.

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A novel methodological approach for processing electrochemical data measured under conditions of square-wave voltammetry (SWV) is proposed. The methodology takes advantage of the chronoamperometric characteristics of the electrochemical system observed in the course of the voltammetric experiment, which are commonly not considered in conventional SWV. The method requires processing of a single voltammogram only, measured under given set of the potential modulation parameters (i.e. SW frequency and height of the potential pulses). The core idea is to analyze the variation of the current with ti

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16

Fufaeva, Victoria A., and Dmitry V. Filippov. "HIGHLY EFFICIENT REMOVAL OF COPPER(II) IONS FROM AQUEOUS SOLUTION BY NICKEL 2-ETHYLIMIDAZOLATE." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 64, no. 5 (2021): 24–29. http://dx.doi.org/10.6060/ivkkt.20216405.6354.

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Nickel 2-ethylimidazolate was obtained and characterized, which is used in this work as a sorbent for the removal of copper (II) ions. The sample characterization was carried out by scanning electron microscopy, low-temperature nitrogen adsorption. It was found that the obtained sorbent is a microheterogeneous material with the size of individual particles in the range of 0.4-0.7 μm. Nitrogen adsorption isotherms in the pores of nickel 2-ethylimidazolate were obtained. It was found that when processing the experimental data in linear coordinates of TVFM, linearization is reached in coordinates

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17

Lucas Aguirre, Juan Carlos, German Antonio Giraldo Giraldo, and Misael Cortés Rodríguez. "Modeling of moisture sorption isotherm and evaluation of net isosteric heat for spray-dried fortified coconut (Cocos nucifera L.) powder." British Food Journal 123, no. 7 (2021): 2349–64. http://dx.doi.org/10.1108/bfj-11-2020-1017.

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PurposeIn order to understand interactions aw vs equilibrium moisture content (EMC) in fortified coconut powder, moisture sorption isotherms were constructed under different storage conditions in order to predict the changes in their physical, chemical and microbiological properties that occur during storage and processing, which are unique to each food.Design/methodology/approachFor which the moisture sorption isotherms were determined at three different temperatures (15, 25 and 35 °C), in a range of water activity from 0.1 to 0.90. Nine models, namely, the GAB, BET, Oswin, Smith, Halsey, Hen

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18

Poghosyan, Armen, Hrachya Astsatryan, Wahi Narsisian, and Yevgeni Mamasakhlisov. "On the Performance and Energy Consumption of Molecular Dynamics Applications for Heterogeneous CPU-GPU Platforms Based on Gromacs." Cybernetics and Information Technologies 17, no. 5 (2017): 68–80. http://dx.doi.org/10.1515/cait-2017-0056.

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Abstract High Performance Computing (HPC) accelerates life science discoveries by enabling scientists to analyze large data sets, to develop detailed models of entire biological systems and to simulate complex biological processes. As computational experiments, molecular dynamics simulations are widely used in life sciences to evaluate the equilibrium nature of classical many-body systems The modelling and molecular dynamics study of surfactant, polymer solutions and the stability of proteins and nucleic acids under different conditions, as well as deoxyribonucleic acid proteins are studied. T

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19

Ortega, Juan, Fernando Espiau, and Miguel Postigo. "Isobaric Vapor−Liquid Equilibria and Excess Quantities for Binary Mixtures of an Ethyl Ester +tert-Butanol and a New Approach to VLE Data Processing." Journal of Chemical & Engineering Data 48, no. 4 (2003): 916–24. http://dx.doi.org/10.1021/je0202073.

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20

Montesantos, Nikolaos, and Marco Maschietti. "Supercritical Carbon Dioxide Extraction of Lignocellulosic Bio-Oils: The Potential of Fuel Upgrading and Chemical Recovery." Energies 13, no. 7 (2020): 1600. http://dx.doi.org/10.3390/en13071600.

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Bio-oils derived from the thermochemical processing of lignocellulosic biomass are recognized as a promising platform for sustainable biofuels and chemicals. While significant advances have been achieved with regard to the production of bio-oils by hydrothermal liquefaction and pyrolysis, the need for improving their physicochemical properties (fuel upgrading) or for recovering valuable chemicals is currently shifting the research focus towards downstream separation and chemical upgrading. The separation of lignocellulosic bio-oils using supercritical carbon dioxide (sCO2) as a solvent is a pr

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21

Rusumdar, A. J., R. Wolke, A. Tilgner, and H. Herrmann. "Treatment of non-ideality in the multiphase model SPACCIM – Part 1: Model development." Geoscientific Model Development Discussions 8, no. 6 (2015): 4155–219. http://dx.doi.org/10.5194/gmdd-8-4155-2015.

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Abstract. Ambient tropospheric deliquesced particles generally comprise a complex mixture of electrolytes, organic compounds, and water. Dynamic modeling of physical and chemical processes in this complex matrix is challenging. Thus, up-to-date multiphase chemistry models do generally not consider non-ideal solution effects. Therefore, the present study was aimed at the further development of the SPACCIM model to treat both complex multiphase chemistry and phase transfer processes considering newly non-ideality properties of concentrated aerosol solutions. The present paper describes firstly,

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Waghorne, Earle. "Preface." Pure and Applied Chemistry 85, no. 11 (2013): iv. http://dx.doi.org/10.1351/pac20138511iv.

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The 15th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-15) was held at the Qinghai Institute of Salt Lakes, in Xining, China, 22-27 July 2012. The meeting was a marked success, with over 100 participants from around the world. Xining, located on the Tibetan plateau, provided an interesting glimpse of China, outside of the very large cities of the Chinese lowlands. The Qinghai Institute was established in recognition of the great potential of China’s upland salt lakes, where thousands of years of evaporation have resulted in huge bodies of brines with g

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GAMBLE, DONALD S. "TITRATIONS OF ORGANIC SOILS WITH STANDARD BASE: SOLUBILITY OF IONIZABLE FUNCTIONAL GROUPS AT 25 °C." Canadian Journal of Soil Science 69, no. 2 (1989): 313–25. http://dx.doi.org/10.4141/cjss89-032.

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The conversion of undissolved acidic functional groups into dissolved carboxylate anions has been monitored during potentiometric titration of a Typic Mesisol Peat at 25 °C. The analytical chemical calculations of total acid functional groups and of H+ dissociation equilibrium functions take the dissolution process into account. With 0.05 g of sample suspended in 20 mL of 0.1 N NaCl, the molarity of carboxylate anions in the external solution ranged from 4.3 × 10−4 M at 1 mL g−1 0.1 N NaOH, to 1.5 × 10−3 M at 6 mL g−1 0.1 N NaOH. The corresponding amounts of undissolved carboxyl groups were 5.

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Verkouteren, R. Michael, Donna B. Klinedinst, and Lloyd A. Currie. "Iron-Manganese System for Preparation of Radiocarbon Ams Targets: Characterization of Procedural Chemical-Isotopic Blanks and Fractionation." Radiocarbon 39, no. 3 (1997): 269–83. http://dx.doi.org/10.1017/s003382220005325x.

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We report a practical system to mass-produce accelerator mass spectrometry (AMS) targets with 10–100 μg carbon samples. Carbon dioxide is reduced quantitatively to graphite on iron fibers via manganese metal, and the Fe-C fibers are melted into a bead suitable for AMS. Pretreatment, reduction and melting processes occur in sealed quartz tubes, allowing parallel processing for otherwise time-intensive procedures.Chemical and isotopic (13C, 14C) blanks, target yields and isotopic fractionation were investigated with respect to levels of sample size, amounts of Fe and Mn, pretreatment and reducti

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Hrabina, Ondrej, Viktor Brabec, and Olga Novakova. "Translesion DNA Synthesis Across Lesions Induced by Oxidative Products of Pyrimidines: An Insight into the Mechanism by Microscale Thermophoresis." International Journal of Molecular Sciences 20, no. 20 (2019): 5012. http://dx.doi.org/10.3390/ijms20205012.

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Oxidative stress in cells can lead to the accumulation of reactive oxygen species and oxidation of DNA precursors. Oxidized nucleotides such as 2’-deoxyribo-5-hydroxyuridin (HdU) and 2’-deoxyribo-5-hydroxymethyluridin (HMdU) can be inserted into DNA during replication and repair. HdU and HMdU have attracted particular interest because they have different effects on damaged-DNA processing enzymes that control the downstream effects of the lesions. Herein, we studied the chemically simulated translesion DNA synthesis (TLS) across the lesions formed by HdU or HMdU using microscale thermophoresis

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Hoffmann, Erik H., Roland Schrödner, Andreas Tilgner, Ralf Wolke, and Hartmut Herrmann. "CAPRAM reduction towards an operational multiphase halogen and dimethyl sulfide chemistry treatment in the chemistry transport model COSMO-MUSCAT(5.04e)." Geoscientific Model Development 13, no. 6 (2020): 2587–609. http://dx.doi.org/10.5194/gmd-13-2587-2020.

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Abstract. A condensed multiphase halogen and dimethyl sulfide (DMS) chemistry mechanism for application in chemistry transport models is developed by reducing the CAPRAM DMS module 1.0 (CAPRAM-DM1.0) and the CAPRAM halogen module 3.0 (CAPRAM-HM3.0). The reduction is achieved by determining the main oxidation pathways from analysing the mass fluxes of complex multiphase chemistry simulations with the air parcel model SPACCIM (SPectral Aerosol Cloud Chemistry Interaction Model). These simulations are designed to cover both pristine and polluted marine boundary layer conditions. Overall, the redu

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Yang, Xinbo, and Rick Q. Honaker. "Leaching Kinetics of Rare Earth Elements from Fire Clay Seam Coal." Minerals 10, no. 6 (2020): 491. http://dx.doi.org/10.3390/min10060491.

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Recovery of rare earth elements (REEs) from coal samples collected from the Fire Clay coal seam using diluted mineral acid solutions was investigated. The initial processing step was coal recovery using conventional froth flotation which concentrated the REEs in tailing material resulting in an upgrade to values around 700 ppm on a dry whole mass basis. Leaching experiments were performed on the flotation tailings material using a 1.2 M sulfuric acid solution adjusted to a temperature of 75 °C to study the extractability of REEs from coal material. The effect of particle size, leaching time, l

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Tomkins, Reginald P. T. "Preface." Pure and Applied Chemistry 81, no. 9 (2009): iv. http://dx.doi.org/10.1351/pac20098109iv.

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&lt;div&gt;The 13th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-13) was held at Trinity College, Dublin, Ireland, 27-31 July 2008. The symposium was sponsored by IUPAC, and arrangements were carried out by Trinity College, Dublin and University College, Dublin.&lt;br /&gt;&lt;br /&gt;About 80 delegates attended the symposium from 27 different countries. The meeting comprised 8 invited speakers, 30 oral presentations, and 21 poster presentations.&lt;br /&gt;&lt;br /&gt;The ISSP was first organized in 1984, is he

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Sahin, Fatih, Fırat Kafkas, and Cetin Karatas. "An Electrochemical Machining Device for Residual Stresses Measurement in PM Parts by Layer Removal Method." Materials Science Forum 672 (January 2011): 117–20. http://dx.doi.org/10.4028/www.scientific.net/msf.672.117.

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Residual stresses play an important role in the performance of materials and the components produced from them. All manufacturing processes introduce residual stresses. These stresses can have a positive effect, for example by increasing the fatigue limit in the case of compressive surface residual stresses. Layer removal by electrochemical machining (ECM) can be used for measurement of the residual stresses in the PM parts. The device removed the layers by aid of electrochemical machining for this purpose is designed and developed. The device setup for residual stress measurement is based to

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Ganbavale, G., A. Zuend, C. Marcolli, and T. Peter. "Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures." Atmospheric Chemistry and Physics Discussions 14, no. 11 (2014): 16907–95. http://dx.doi.org/10.5194/acpd-14-16907-2014.

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Abstract. This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic–Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic–water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functi

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Allan, J. D., D. O. Topping, N. Good, et al. "Composition and properties of atmospheric particles in the eastern Atlantic and impacts on gas phase uptake rates." Atmospheric Chemistry and Physics 9, no. 23 (2009): 9299–314. http://dx.doi.org/10.5194/acp-9-9299-2009.

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Abstract. Marine aerosol composition continues to represent a large source of uncertainty in the study of climate and atmospheric chemistry. In addition to their physical size and chemical composition, hygroscopicity plays a significant role, increasing the particles' surface areas and scattering potential. Simultaneous aerosol measurements were performed on board the RRS Discovery and at the Cape Verde atmospheric observatory during the Aerosol Composition and Modelling in the Marine Environment (ACMME) and Reactive Halogens in the Marine Boundary Layer (RHAMBLE) experiments. These included o

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Allan, J. D., D. O. Topping, N. Good, et al. "Composition and properties of atmospheric particles in the eastern Atlantic and impacts on gas phase uptake rates." Atmospheric Chemistry and Physics Discussions 9, no. 5 (2009): 18331–74. http://dx.doi.org/10.5194/acpd-9-18331-2009.

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Abstract. Marine aerosol composition continues to represent a large source of uncertainty in the study of climate and atmospheric chemistry. In addition to their physical size and chemical composition, hygroscopicity plays a significant role, increasing the particles' surface areas and scattering potential. Simultaneous aerosol measurements were performed on board the RRS Discovery and at the Cape Verde atmospheric observatory during the Aerosol Composition and Modelling in the Marine Environment (ACMME) and Reactive Halogens in the Marine Boundary Layer (RHAMBLE) experiments. These included o

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Wenkuan, Yang. "Data processing of surface chemical exploration." Journal of Southeast Asian Earth Sciences 5, no. 1-4 (1991): 317–20. http://dx.doi.org/10.1016/0743-9547(91)90042-v.

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Ganbavale, G., A. Zuend, C. Marcolli, and T. Peter. "Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures." Atmospheric Chemistry and Physics 15, no. 1 (2015): 447–93. http://dx.doi.org/10.5194/acp-15-447-2015.

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Abstract. This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic–Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic–water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functi

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Norval, G. W., M. J. Phillips, R. W. Missen, and W. R. Smith. "Constrained chemical equilibrium and incompletely specified elemental abundance data." Canadian Journal of Chemical Engineering 69, no. 5 (1991): 1184–92. http://dx.doi.org/10.1002/cjce.5450690519.

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Kirbaslar, I., S. Cehreli, D. Ustun, and E. Keskinocak. "Equilibrium data on ethanol-water-solvent ternaries." Brazilian Journal of Chemical Engineering 17, no. 2 (2000): 191–97. http://dx.doi.org/10.1590/s0104-66322000000200007.

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Ligterink, N. F. W., A. Ahmadi, A. Coutens, et al. "The prebiotic molecular inventory of Serpens SMM1." Astronomy & Astrophysics 647 (March 2021): A87. http://dx.doi.org/10.1051/0004-6361/202039619.

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Aims. Methyl isocyanate (CH3NCO) and glycolonitrile (HOCH2CN) are isomers and prebiotic molecules that are involved in the formation of peptide structures and the nucleobase adenine, respectively. These two species are investigated to study the interstellar chemistry of cyanides (CN) and isocyanates (NCO) and to gain insight into the reservoir of interstellar prebiotic molecules. Methods. ALMA observations of the intermediate-mass Class 0 protostar Serpens SMM1-a and ALMA-PILS data of the low-mass Class 0 protostar IRAS 16293B are used. Spectra are analysed with the CASSIS line analysis softwa

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Kinser, Jason M., Karina Waldemark, Thomas Lindblad, and Sven P. Jacobsson. "Multidimensional pulse image processing of chemical structure data." Chemometrics and Intelligent Laboratory Systems 51, no. 1 (2000): 115–24. http://dx.doi.org/10.1016/s0169-7439(00)00065-4.

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Higashi, T. "Imaging-plate data processing focused on chemical crystallography." Acta Crystallographica Section A Foundations of Crystallography 52, a1 (1996): C20. http://dx.doi.org/10.1107/s0108767396098224.

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Dam G., Oscar. "Model for the approximate assessment of nitrogen content in swollen reduced iron ore from single measurements." Athenea 2, no. 3 (2021): 47–53. http://dx.doi.org/10.47460/athenea.v2i3.16.

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A method of calculation has been derived to assess the nitrogen estimated content in iron reduced samples. The method is based on the review of observations and laboratory measurements of relationships between the rate of reduction and the corresponding metallic iron formation during the reduction process. The metallic iron formation has been calculated from relationships that apply to a wide variety of types of ores undergoing reduction under a nitrogen-containing gas mixture in proportions above 50% by volume. The empirical correlations found between the rates of metallization, the sample sw

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Ohnaka, Itsuo, and Isamu Yamauchi. "Mesoscopic Materials. Structure and Catalytic Property of Mesoscopic Materials Produced by Combined Processing of Non-equilibrium and Chemical Processing." Materia Japan 34, no. 8 (1995): 969–70. http://dx.doi.org/10.2320/materia.34.969.

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Focke, Walter W., and Muriel Grobler. "Low-Pressure Vapor–Liquid Data Reduction Using only Equilibrium Composition Data." JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 39, no. 2 (2006): 114–20. http://dx.doi.org/10.1252/jcej.39.114.

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Sacré, P. Y., C. De Bleye, P. F. Chavez, L. Netchacovitch, Ph Hubert, and E. Ziemons. "Data processing of vibrational chemical imaging for pharmaceutical applications." Journal of Pharmaceutical and Biomedical Analysis 101 (December 2014): 123–40. http://dx.doi.org/10.1016/j.jpba.2014.04.012.

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Liang, De-Qing, Jian-Wei Du, and Dong-Liang Li. "Hydrate Equilibrium Data for Methane +tert-Butylamine + Water." Journal of Chemical & Engineering Data 55, no. 2 (2010): 1039–41. http://dx.doi.org/10.1021/je900505x.

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Heyrman, Matthias, and Christian Chatillon. "Equilibrium and Non Equilibrium Vaporization Processes of Ceramics." Advances in Science and Technology 45 (October 2006): 9–16. http://dx.doi.org/10.4028/www.scientific.net/ast.45.9.

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In many elaboration furnaces, ceramics are used with other materials in vacuum atmospheres. If temperatures are sufficiently high, vaporizations occur. Depending on the thermodynamic stability of the investigated oxide, this vaporization can be congruent or not. In this last case, chemical reactions with the ceramic can take place which can lead to the destruction of it. One way to study these processes is the use of the High Temperature Mass Spectrometry (HTMS). This technique allows determining the composition of the gas phase and the partial pressures of the different gaseous species. By co

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Sawada, K., and E. Dendou. "Validation of hypersonic chemical equilibrium flow calculations using ballistic-range data." Shock Waves 11, no. 1 (2001): 43–51. http://dx.doi.org/10.1007/pl00004059.

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Gorecki, J., K. Gizynski, J. Guzowski, et al. "Chemical computing with reaction–diffusion processes." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 373, no. 2046 (2015): 20140219. http://dx.doi.org/10.1098/rsta.2014.0219.

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Chemical reactions are responsible for information processing in living organisms. It is believed that the basic features of biological computing activity are reflected by a reaction–diffusion medium. We illustrate the ideas of chemical information processing considering the Belousov–Zhabotinsky (BZ) reaction and its photosensitive variant. The computational universality of information processing is demonstrated. For different methods of information coding constructions of the simplest signal processing devices are described. The function performed by a particular device is determined by the g

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Efremov, G. I., T. Yu Zhuravleva, and B. S. Sazhin. "Data processing by nonlinear regression analysis." Theoretical Foundations of Chemical Engineering 34, no. 2 (2000): 194–96. http://dx.doi.org/10.1007/bf02757840.

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Sakuta, T., and T. Ishigaki. "Non-equilibrium effects in pulse modulated induction thermal plasma for advanced material processing." Pure and Applied Chemistry 71, no. 10 (1999): 1845–52. http://dx.doi.org/10.1351/pac199971101845.

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Yang, Zhenzhou, Xingmin Gao, and Weike Hu. "Modeling the air pollutant concentration near a cement plant co-processing wastes." RSC Advances 11, no. 17 (2021): 10353–63. http://dx.doi.org/10.1039/d0ra10585f.

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In this study, we conducted full life-cycle studies on pollutants in a cement plant co-processing hazardous waste (HW) via the combined use of thermodynamic equilibrium calculations and the American Meteorological Society/Environmental Protection Regulatory Model.

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