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Journal articles on the topic 'Simulations de formage'

Author: Grafiati

Published: 26 October 2024

Last updated: 31 July 2025

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1

Guinard, Stéphane, Sylvain Chatel, and Serge Maison-Le-Poëc. "Besoins industriels en simulation numérique du formage thermoplastique." Revue des composites et des matériaux avancés 12, no. 3 (2002): 399–406. http://dx.doi.org/10.3166/rcma.12.399-406.

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2

Simons, M. A. J., T. Lamberts, and H. M. Cuppen. "Formation of COMs through CO hydrogenation on interstellar grains." Astronomy & Astrophysics 634 (February 2020): A52. http://dx.doi.org/10.1051/0004-6361/201936522.

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Context. Glycoaldehyde, ethylene glycol, and methyl formate are complex organic molecules that have been observed in dark molecular clouds. Because there is no efficient gas-phase route to produce these species, it is expected that a low-temperature surface route existst that does not require energetic processing. CO hydrogenation experiments at low temperatures showed that this is indeed the case. Glyoxal can form through recombination of two HCO radicals and is then further hydrogenated. Aims. Here we aim to constrain the methyl formate, glycolaldehyde, and ethylene glycol formation on the s

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3

Muttaqien, Fahdzi, Hiroyuki Oshima, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, and Yoshitada Morikawa. "Desorption dynamics of CO2 from formate decomposition on Cu(111)." Chemical Communications 53, no. 66 (2017): 9222–25. http://dx.doi.org/10.1039/c7cc03707d.

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Based on the ab initio molecular dynamics simulations on formate decomposition into CO<sub>2</sub> and adsorbed H on Cu(111), we suggest that excitation of CO<sub>2</sub> bending mode can enhance formate synthesis.

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4

Ma, Hai-bin, Enric Ibáñez Alé, Nuria López, and Boon Siang Jason Yeo. "Direct Electroreduction of Carbonate to Formate." ECS Meeting Abstracts MA2023-02, no. 54 (2023): 2646. http://dx.doi.org/10.1149/ma2023-02542646mtgabs.

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A cause of losses in energy and carbon conversion efficiencies during the electrochemical CO2 reduction reaction (eCO2RR) can be attributed to the formation of carbonates (CO3 2–), which is generally considered to be an electrochemically-inert species. Herein, we employ in-situ electrochemical Raman spectroscopy, liquid chromatography, nuclear magnetic resonance spectroscopy, 13C isotope-labelling and density functional theory (DFT) simulations to understand the role of carbonate species formed on copper catalysts during eCO2RR, and its ability to reduce to formate. Direct carbonate-to-formate

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5

Zamankhan, Piroz, Jun Huang, and S. Mohammad Mousavi. "Large Eddy Simulations of a Brine-Mixing Tank." Journal of Offshore Mechanics and Arctic Engineering 129, no. 3 (2006): 176–87. http://dx.doi.org/10.1115/1.2426995.

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Traditionally, solid–liquid mixing has always been regarded as an empirical technology with many aspects of mixing, dispersing, and contacting related to power draw. One important application of solid–liquid mixing is the preparation of brine from sodium formate. This material has been widely used as a drilling and completion fluid in challenging environments such as in the Barents Sea. In this paper large-eddy simulations, of a turbulent flow in a solid–liquid, baffled, cylindrical mixing vessel with a large number of solid particles, are performed to obtain insight into the fundamental aspec

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6

Szeremeta, Anna Z., Andrzej Nowok, Adam Sieradzki, et al. "Relaxing under pressure with a rigid niccolite formate framework." Journal of Materials Chemistry C 8, no. 47 (2020): 16736–41. http://dx.doi.org/10.1039/d0tc04047a.

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7

Liu, Xiao-Wei, Ya Guo, Andi Tao, et al. "“Explosive” synthesis of metal-formate frameworks for methane capture: an experimental and computational study." Chem. Commun. 53, no. 83 (2017): 11437–40. http://dx.doi.org/10.1039/c7cc06249d.

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8

Nilov, D. K., I. G. Shabalin, V. O. Popov, and V. K. Švedas. "Investigation of formate transport through the substrate channel of formate dehydrogenase by steered molecular dynamics simulations." Biochemistry (Moscow) 76, no. 2 (2011): 172–74. http://dx.doi.org/10.1134/s0006297911020027.

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9

Yeo, Boon Siang Jason. "(Invited) Direct Electrochemical Reduction of Carbonate to Formate." ECS Meeting Abstracts MA2024-02, no. 60 (2024): 4068. https://doi.org/10.1149/ma2024-02604068mtgabs.

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We shall show in this presentation that carbonates (CO3 2-), typically regarded as being electrochemically-inert, can be directly electroreduced to formate. Through a combination of in situ Raman spectroscopy, HPLC, NMR spectroscopy, 13C and deuterium isotope-labelling, and DFT simulations, our study reveals that carbonate intermediates are adsorbed onto a copper electrode during CO2RR in KHCO3 electrolyte across potentials ranging from 0.2 to –1.0 V vs. RHE. These intermediates exhibit the capability to be reduced to formate at –0.4 V vs. RHE and at more negative potentials. Our observation i

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10

Moyer, Preenaa, Micholas Dean Smith, Nourredine Abdoulmoumine, et al. "Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions." Physical Chemistry Chemical Physics 20, no. 4 (2018): 2508–16. http://dx.doi.org/10.1039/c7cp07195g.

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11

CHEN, QIUBO, ZHIFENG LIU, and CHEE HOW WONG. "AN AB INITIO MOLECULAR DYNAMICS STUDY ON THE SOLVATION OF FORMATE ION AND FORMIC ACID IN WATER." Journal of Theoretical and Computational Chemistry 11, no. 05 (2012): 1019–32. http://dx.doi.org/10.1142/s021963361250068x.

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Formate ion and formic acid are linked in water by the equilibrium for the acidic dissociation of formic acid, which as the simplest carboxylic acid is an important model system. In this study, the microscopic details of the solvation around a formate ion and around a formic acid molecule in aqueous solution are explored by ab initio molecular dynamics simulations, at 300, 500, 700, and 900 K. The formate ion exerts a strong influence on the surrounding solvent molecules by hydrogen bonding, which restricts the access of other water molecules. With rising temperature, the hydrogen bonds are di

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12

Mousavi, S. M., P. Zamankhan, and A. Jafari. "Computer simulations of sodium formate solution in a mixing tank." Communications in Nonlinear Science and Numerical Simulation 13, no. 2 (2008): 380–99. http://dx.doi.org/10.1016/j.cnsns.2006.05.002.

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13

Qaderi, Jawed. "A brief review on the reaction mechanisms of CO2 hydrogenation into methanol." International Journal of Innovative Research and Scientific Studies 3, no. 2 (2020): 33–40. http://dx.doi.org/10.53894/ijirss.v3i2.31.

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The catalytic reduction of CO2 to methanol is an appealing option to reduce greenhouse gas concentration as well as renewable energy production. In addition, the exhaustion of fossil fuel, increase in earth temperature and sharp increases in fuel prices are the main driving factor for exploring the synthesis of methanol by hydrogenating CO2. Many studies on the catalytic hydrogenation of CO2 to methanol were published in the literature over the last few decades. Many of the studies have presented different catalysts having high stability, higher performance, low cost, and are immediately requi

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14

Xuan, Phan Ngoc Yen, and Pham Thanh Van. "Impact of overconfidence, optimism, pessimism and herd mentality on trading volume in Vietnam’s stock market." International Journal of Innovative Research and Scientific Studies 8, no. 2 (2025): 2502–15. https://doi.org/10.53894/ijirss.v8i2.5728.

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The catalytic reduction of CO2 to methanol is an appealing option to reduce greenhouse gas concentrations as well as to promote renewable energy production. In addition, the exhaustion of fossil fuels, the increase in Earth’s temperature, and sharp increases in fuel prices are the main driving factors for exploring the synthesis of methanol by hydrogenating CO2. Many studies on the catalytic hydrogenation of CO2 to methanol have been published in the literature over the last few decades. Many of these studies have presented different catalysts that exhibit high stability, higher performance, l

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15

Inada, Mitsuo. "Simulation Models for Dynamics of Wood Volume Damaged by Pine Wilt Disease." FORMATH 8 (2009): 165–77. http://dx.doi.org/10.15684/formath.08.010.

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16

WANG, QIANG, JIANWU WANG, ZHENGTING CAI, and WEIREN XU. "COMPUTATIONAL STUDY OF THE DYNAMICS OF PEPTIDE DEFORMYLASE COMPLEX FROM LEPTOSPIRA INTERROGANS: EXPLORING THE CONFORMATIONAL CHANGES OF THE SUBSTRATE POCKET." Journal of Theoretical and Computational Chemistry 07, no. 05 (2008): 911–22. http://dx.doi.org/10.1142/s0219633608004301.

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The peptide deformylase from Leptospira interrogans (LiPDF) shows many unusual characteristics. The substrate pocket of formate-bound complex adopts an open conformation. However, in the actinonin-bound LiPDF complex, a slightly open substrate pocket is observed. The opening is not large enough for the inhibitor, because the CD-loop restricts the access to the active site. To explore the conformational changes of the substrate pocket, we perform a 16,000 ps molecular dynamics simulation separately on the ligand-free LiPDF and actinonin-bound LiPDF. During the molecular dynamics simulations, ex

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17

Miyaji, Akimitsu, and Yutaka Amao. "Artificial co-enzyme based on carbamoyl-modified viologen derivative cation radical for formate dehydrogenase in the catalytic CO2 reduction to formate." New Journal of Chemistry 44, no. 43 (2020): 18803–12. http://dx.doi.org/10.1039/d0nj04375c.

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The interaction between the single-electron reduced carbamoyl-modified-4,4-bipyridinium salt and CbFDH in the CO<sub>2</sub> reduction to formate is elucidated by enzymatic kinetic analysis, the docking simulation and density functional theory calculation.

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18

Wang, Lei. "Promoting Pd-Catalyzed Conversion of CO to Formate." ECS Meeting Abstracts MA2023-02, no. 54 (2023): 2596. http://dx.doi.org/10.1149/ma2023-02542596mtgabs.

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Electrochemical CO2 reduction offers exciting opportunities in turning the waste carbon into value-added chemicals/fuels. Among different CO2 reduction products, formate has attracted particular interest, as it shows promising near-term economic feasibility. Pd-based electrocatalysts have demonstrated excellent selectivity towards formate production, however, only within a narrow potential window of 0 V to -0.25 V vs. RHE. It has shown that Pd-based electrocatalysts suffer from the potential-dependent deactivation pathways (α-PdH to -PdH phase transition, CO poisoning, etc.) and quickly loss t

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19

Mitsuda, Y., H. Kanomata, and M. Matsumoto. "Effects of Initial Stand Age Distribution on Simulations of the National-Scale Carbon Dynamics of Sugi Cryptomeria japonica Planted Forests." FORMATH 12 (2013): 21–34. http://dx.doi.org/10.15684/formath.12.21.

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20

Oyenowo, Oluwafemi Precious, Kai Sheng, and Ryosuke Okuno. "Simulation case studies of aqueous formate solution for geological carbon storage." Fuel 334 (February 2023): 126643. http://dx.doi.org/10.1016/j.fuel.2022.126643.

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21

Chernyshova, Irina V., Ponisseril Somasundaran, and Sathish Ponnurangam. "On the origin of the elusive first intermediate of CO2electroreduction." Proceedings of the National Academy of Sciences 115, no. 40 (2018): E9261—E9270. http://dx.doi.org/10.1073/pnas.1802256115.

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We resolve the long-standing controversy about the first step of the CO2electroreduction to fuels in aqueous electrolytes by providing direct spectroscopic evidence that the first intermediate of the CO2conversion to formate on copper is a carboxylate anion *CO2−coordinated to the surface through one of its C–O bonds. We identify this intermediate and gain insight into its formation, its chemical and electronic properties, as well as its dependence on the electrode potential by taking advantage of a cutting-edge methodology that includes operando surface-enhanced Raman scattering (SERS) empowe

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22

GURDIL EGE, Hatice, and Ergul DEMIR. "Examining of Internal Consistency Coefficients in Mixed-Format Tests in Different Simulation Conditions." Eurasian Journal of Educational Research 20, no. 87 (2020): 1–18. http://dx.doi.org/10.14689/ejer.2020.87.5.

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23

Gosselin, Claude, Thierry Guertin, Didier Remond, and Yves Jean. "Simulation and Experimental Measurement of the Transmission Error of Real Hypoid Gears Under Load." Journal of Mechanical Design 122, no. 1 (2000): 109–22. http://dx.doi.org/10.1115/1.533555.

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The Transmission Error and Bearing Pattern of a gear set are fundamental aspects of its meshing behavior. To assess the validity of gear simulation models, the Transmission Error and Bearing Pattern of a Formate Hypoid gear set are measured under a variety of operating positions and applied loads. Measurement data are compared to simulation results of Tooth Contact Analysis and Loaded Tooth Contact Analysis models, and show excellent agreement for the considered test gear set. [S1050-0472(00)00901-6]

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24

Konoshima, M., A. Yoshimoto, and A. Kato. "Optimizing a Combination of Thinning Methods, Thinning Intensity and Timing Using a Stand Growth Simulation Model for Toyama Prefecture." FORMATH 8 (2009): 121–36. http://dx.doi.org/10.15684/formath.08.008.

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25

Padhi, Siladitya, Lekkala Karthik Reddy, and U. Deva Priyakumar. "pH-mediated gating and formate transport mechanism in the Escherichia coli formate channel." Molecular Simulation 43, no. 13-16 (2017): 1300–1306. http://dx.doi.org/10.1080/08927022.2017.1353691.

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26

Zhao He, 赵贺, 张鹏 Zhang Peng, 杨志群 Yang Zhiqun та ін. "多调制格式兼容的空间激光高速通信调制仿真与实验研究". Chinese Journal of Lasers 49, № 7 (2022): 0706004. http://dx.doi.org/10.3788/cjl202149.0706004.

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27

Huiyang, Chun, and Lu Yao. "Research of the Formal Model and Simulation Based on CPN of Dynamic Fault Tree." International Journal of Engineering and Technology 8, no. 5 (2016): 329–33. http://dx.doi.org/10.7763/ijet.2016.v8.907.

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28

Choe, Hyunjun, Jung Min Ha, Jeong Chan Joo, et al. "Structural insights into the efficient CO2-reducing activity of an NAD-dependent formate dehydrogenase fromThiobacillussp. KNK65MA." Acta Crystallographica Section D Biological Crystallography 71, no. 2 (2015): 313–23. http://dx.doi.org/10.1107/s1399004714025474.

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CO2fixation is thought to be one of the key factors in mitigating global warming. Of the various methods for removing CO2, the NAD-dependent formate dehydrogenase fromCandida boidinii(CbFDH) has been widely used in various biological CO2-reduction systems; however, practical applications of CbFDH have often been impeded owing to its low CO2-reducing activity. It has recently been demonstrated that the NAD-dependent formate dehydrogenase fromThiobacillussp. KNK65MA (TsFDH) has a higher CO2-reducing activity compared with CbFDH. The crystal structure of TsFDH revealed that the biological unit in

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29

Dossis, M. "High-level Synthesis Integrated Verification." Engineering, Technology & Applied Science Research 5, no. 5 (2015): 864–70. https://doi.org/10.5281/zenodo.31797.

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It is widely known in the engineering community that more than 60% of the IC design project time is spent on verification. For the very complex contemporary chips, this may prove prohibitive for the IC to arrive at the correct time in the market and therefore, valuable sales share may be lost by the developing industry. This problem is deteriorated by the fact that most of conventional verification flows are highly repetitive and a great proportion of the project time is spent on last-moment simulations. In this paper we present an integrated approach to rapid, high-level verification, exploit

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30

Kozlova, E., A. Vorontsov, G. Rima, C. Lion, and S. Preis. "Photocatalytic oxidation of VX-simulation substance." Water Science and Technology 55, no. 12 (2007): 133–38. http://dx.doi.org/10.2166/wst.2007.393.

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Experimental studies of photocatalytic oxidation (PCO) of VX-gas simulation substance cysteamine-S-phosphate sodium salt (NaHPO3S–CH2–CH2–NH2, CPSS) at various initial concentrations and pH were undertaken. PCO ultimately resulted in complete mineralisation of CPSS. The PCO byproducts of CPSS include acetate, oxalate and trace amounts of formate ions. The formation rates of acetate and phosphate were equal to the rate of degradation of CPSS, which indicates easy breakage of P–S, C–S and C–N bonds. Sulphate was formed more slowly due to stepwise oxidation of reduced sulphur. Amino group, genera

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31

Torres, Rhonda A., Birgit Schiøtt, and Thomas C. Bruice. "Molecular Dynamics Simulations of Ground and Transition States for the Hydride Transfer from Formate to NAD+in the Active Site of Formate Dehydrogenase." Journal of the American Chemical Society 121, no. 36 (1999): 8164–73. http://dx.doi.org/10.1021/ja9912731.

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32

Liu, Huajie, Jun Fan, Weiping Liu, Yong Wang, Qiuhong Ai, and Yonglin Li. "Separation Process for Methanol–Methylal–Methyl Formate Multicomponent System in Polyformaldehyde Production Waste Liquid: Modeling and Techno-Economic Analysis." Separations 12, no. 1 (2025): 12. https://doi.org/10.3390/separations12010012.

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The vapor–liquid equilibrium (VLE) data of the ternary system methanol–methyl formate–methylal was measured at atmospheric pressure using a modified Rose equilibrium kettle with vapor–liquid double circulation method. The experiment data were correlated with the NRTL, UNIQUAC, and Wilson activity coefficient model equations. The results shown that the root mean square deviation (RMSD) between the calculated and simulated values of the three models followed the order: UNIQUAC ≈ NRTL < Wilson, and except for the RMSD (T) in the range of 0.4–0.5, the others are less than 0.01. In addition, the

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33

Pardo, Pérez Laura C., Alexander Arndt, Sasho Stojkovikj, et al. "Determining Structure-Activity Relationships in Oxide Derived Cu-Sn Catalysts During CO2 Electroreduction Using X-Ray Spectroscopy." Adv. Energy Mater. 12 (December 24, 2021): 2103328. https://doi.org/10.1002/aenm.202103328.

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The development of earth-abundant catalysts for selective electrochemical CO<sub>2</sub> conversion is a central challenge. CuSn bimetallic catalysts can yield selective CO<sub>2</sub> reduction toward either CO or formate. This study presents oxide-derived CuSn catalysts tunable for either product and seeks to understand the synergetic effects between Cu and Sn causing these selectivity trends. The materials undergo significant transformations under CO<sub>2</sub> reduction conditions, and their dynamic bulk and surface structures are revealed by correlating observations from

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34

Strljic, Daniella, Annika Kienzlen, and Oliver Riedel. "Formale Sprachen für Fabriksimulation/Comparative Analysis of Description Models and Languages for Factory Simulation – Formal Languages for Factory Simulation." wt Werkstattstechnik online 112, no. 04 (2022): 221–26. http://dx.doi.org/10.37544/1436-4980-2022-04-21.

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Während des Fabriklebenszyklus werden viele verschiedene Simulationsmodelle eingesetzt. Diese benötigen spezialisierte Simulationsmethoden und -werkzeuge, die je ein neues Simulationsmodell erfordern, das manuell in einer spezifischen Modellierungssprache erstellt wird. Der Beitrag zeigt eine Analyse von Ansätzen für die Fabriksimulationsbeschreibung mit dem Ziel einer durchgängigen Fabriksimulation. Diese erlauben einen Datenaustausch, aber keine dynamische Kopplung oder Generierung, darum wird ein Fabrikmodell umrissen. &nbsp; A wide variety of simulation models are used during the facto

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35

Li, Ying, Hong Mei Qu, Ye Tian, Shuang Song, and Peng Bai. "Semi-Continuous Reactive Batch Distillation for Production of Methyl Formate." Advanced Materials Research 301-303 (July 2011): 290–97. http://dx.doi.org/10.4028/www.scientific.net/amr.301-303.290.

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Reaction kinetics of the esterification of Methyl Formate (MF) is studied in a batch reactor at different temperatures and the reliability of the estimated parameters is analyzed with Matlab using a fourth order Runge-Kutta method in the paper. Kinetic constants were experimentally examined and used to calculate the optimal operation parameters of semi-continuous reactive distillation for production of MF in order to minimize the amount of unconverted Formic Acid (FA) remained in the bottom. The results show that the optimal condition is obtained at the formic acid/methanol mole ratio of 0.5:1

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36

Kunze, Jana, Sonja Mohr, and Angela Ittel. "Online-Rollenspiele in der Lehrkräfteausbildung." BzL - Beiträge zur Lehrerinnen- und Lehrerbildung 34, no. 2 (2016): 188–95. http://dx.doi.org/10.36950/bzl.34.2016.9524.

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Online-Rollenspiele ermöglichen eine realistische Simulation von typischen Handlungsszenarien, in denen Lehramtsstudierende ihre kommunikativen Fertigkeiten mittels eines Avatars interaktiv erproben und reflektieren können. In diesem Beitrag werden die Unterschiede zwischen Online- und Präsenz-Rollenspielen sowie die Vor- und Nachteile beider Formate anhand von Rollenspielaufzeichnungen, Lernjournalen und Gruppeninterviews untersucht. Zusammenfassend scheint eine Kombination beider Rollenspielformate, beginnend mit den Online-Rollenspielen, ideal zu sein, um anfängliche Ängste zu verringern un

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37

Kunze, Jana, Sonja Mohr, and Angela Ittel. "Online-Rollenspiele in der Lehrkräfteausbildung." BzL - Beiträge zur Lehrerinnen- und Lehrerbildung 34, no. 2 (2016): 188–95. http://dx.doi.org/10.36950/bzl.34.2.2016.9524.

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Online-Rollenspiele ermöglichen eine realistische Simulation von typischen Handlungsszenarien, in denen Lehramtsstudierende ihre kommunikativen Fertigkeiten mittels eines Avatars interaktiv erproben und reflektieren können. In diesem Beitrag werden die Unterschiede zwischen Online- und Präsenz-Rollenspielen sowie die Vor- und Nachteile beider Formate anhand von Rollenspielaufzeichnungen, Lernjournalen und Gruppeninterviews untersucht. Zusammenfassend scheint eine Kombination beider Rollenspielformate, beginnend mit den Online-Rollenspielen, ideal zu sein, um anfängliche Ängste zu verringern un

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38

Jaf, Luay, Harith H. Al-Moameri, Ahmed A. Ayash, Arnold A. Lubguban, Roberto M. Malaluan, and Tushar Ghosh. "Limits of Performance of Polyurethane Blowing Agents." Sustainability 15, no. 8 (2023): 6737. http://dx.doi.org/10.3390/su15086737.

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A MATLAB program was developed to simulate urethane-forming reactions by solving over a dozen differential equations, energy balance, mass balance, and constitutive equations simultaneously. The simulation program was developed for half a decade to simulate the basic kinetics of polyurethane reactions and more complex phenomena that cannot be obtained in laboratories. In the current investigation, the simulation is applied to determine the limits of the performance of polyurethane foam formation. n-pentane, cyclohexane, and methyl formate were used as physical blowing agents, and water was use

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39

Krishna, R., and J. M. van Baten. "A molecular simulation study of commensurate–incommensurate adsorption ofn-alkanes in cobalt formate frameworks." Molecular Simulation 35, no. 12-13 (2009): 1098–104. http://dx.doi.org/10.1080/08927020902744672.

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40

G. Siqueira, Maria Fantinato. "ENTREVISTA: “Há um abismo do não escutar”." Revista Periódicus 1, no. 19 (2023): 236–54. http://dx.doi.org/10.9771/peri.v1i19.56172.

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Ana Laide Soares Barbosa é educadora social junto a povos e comunidades tradicionais, membro do movimento Xingu Vivo, formada em etnodesenvolvimento / UFPA, e mestre no MESPT/UnB. Nascida e criada em território tradicional pesqueiro, bisneta de escravizados, neta de pescadores (as) e camponesas, filha de Francisco Sales - pescador - e Rosinete Soares - agricultura/professora.

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41

Zhang, Jincheng, Bogdan Bogdanov, Andrew Parkins, and C. Michael McCallum. "Observation of Magic Number Clusters from Thermal Dissociation Molecular Dynamics Simulations of Lithium Formate Ionic Clusters." Journal of Physical Chemistry A 124, no. 18 (2020): 3535–41. http://dx.doi.org/10.1021/acs.jpca.0c01973.

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42

Wu, Xiao, Pengfei Hao, Feng He, Zhaohui Yao, and Xiwen Zhang. "Molecular dynamics simulations of BSA absorptions on pure and formate-contaminated rutile (1 1 0) surface." Applied Surface Science 533 (December 2020): 147574. http://dx.doi.org/10.1016/j.apsusc.2020.147574.

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43

Han, Xiaoyan, Yanqi Wang, Yongguang Wang, Hongkang Zhao, and Qunsheng Li. "Vapor–Liquid Equilibrium Experiment and Process Simulation for Methanol and Ethyl Formate at 101.3 kPa." Journal of Chemical & Engineering Data 66, no. 5 (2021): 1929–38. http://dx.doi.org/10.1021/acs.jced.0c00972.

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44

Hsu, Chiajen, Chienwen Huang, Yaowu Hao, and Fuqiang Liu. "Electro-oxidation of formate-based solutions on Au/Pd core–shell nanoparticles – Experiment and simulation." International Journal of Hydrogen Energy 38, no. 35 (2013): 15532–41. http://dx.doi.org/10.1016/j.ijhydene.2013.09.019.

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Kast, Bernd, Sebastian Albrecht, Vincent Dietrich, Florian Wirnshofer, Wendelin Feiten, and Georg Von Wichert. "Der digitale Zwilling in der autonomen Robotik." atp magazin 61, no. 5 (2019): 74–83. http://dx.doi.org/10.17560/atp.v61i5.2422.

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Autonome Systeme sind der Schlüssel zu signifikant höherer Flexibilität in der Automatisierung. Sie benötigen einen Digitalen Zwilling, der detaillierte Modelle und Daten vereint. Robuste Planung und Ausführung erfordern extrem detaillierte Simulationen, die sich aufgrund des hohen Rechenaufwands nur für Teilaufgaben in Echtzeit lösen lassen. Wirklich autonome Systeme können komplexe Aufgaben jedoch selbstständig zerlegen und dann auch lösen. In diesem Artikel werden die wesentlichen Bestandteile autonomer Produktionssysteme beschrieben: formale Modelle für Dinge und Aktionen auf un

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Durakov, S. A., R. S. Shamsiev, V. R. Flid, and A. E. Gekhman. "Isotope Effect in Catalytic Hydroallylation of Norbornadiene by Allyl Formate." Kinetics and Catalysis 60, no. 3 (2019): 245–49. http://dx.doi.org/10.1134/s0023158419030042.

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Svane, Katrine L., and Aron Walsh. "Quantifying Thermal Disorder in Metal–Organic Frameworks: Lattice Dynamics and Molecular Dynamics Simulations of Hybrid Formate Perovskites." Journal of Physical Chemistry C 121, no. 1 (2016): 421–29. http://dx.doi.org/10.1021/acs.jpcc.6b10714.

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Oksana, Suprunenko. "Combined approach architecture development to simulation modeling of systems with parallelism." Eastern-European Journal of Enterprise Technologies 4, no. 4 (112) (2021): 74–82. https://doi.org/10.15587/1729-4061.2021.239212.

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Paradigms and graphical-analytical tools for building simulation tools and forming the architecture of a combined approach to studying the dynamic properties of systems with parallelism are described. An extension of the formal language of Petri nets is presented, which has greater modeling power than WF nets. The properties of hierarchical Petri nets are used to synthesize a holistic model. Discrete-event modeling and modeling of dynamic systems, which allow reflecting the quantitative and qualitative characteristics of the elements of the systems under study, served as the basis for the comb

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Šimėnas, Mantas, Andrius Ibenskas, Alessandro Stroppa, et al. "Simulation of Structural Phase Transitions in Perovskite Methylhydrazinium Metal–Formate Frameworks: Coupled Ising and Potts Models." Journal of Physical Chemistry C 123, no. 32 (2019): 19912–19. http://dx.doi.org/10.1021/acs.jpcc.9b03448.

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Crisan, Mara, and Gheorghe Maria. "Modular Simulation to Determine the Optimal Operating Policy of a Batch Reactor for the Enzymatic Fructose Reduction to Mannitol with the in situ Continuous Enzymatic Regeneration of the NAD Cofactor." Revista de Chimie 68, no. 9 (2017): 2196–203. http://dx.doi.org/10.37358/rc.17.9.5854.

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Novel coupled enzymatic systems reported important applications in the industrial bio-catalysis. Multi-enzymatic reactions can successfully replace complex chemical syntheses, using milder reaction conditions, and generating less waste. For such systems acting simultaneously, the model-based engineering calculations (design, reactor operation optimization) are difficult tasks, because they must account for interacting reactions, differences in enzymes optimal activity domains and deactivation kinetics. The determination of the optimal operating mode (enzyme ratios, enzyme feeding policy, tempe

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