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Статті в журналах з теми "Macrokinetic model"

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Автор: Grafiati

Опубліковано: 30 травня 2022

Оновлено: 31 травня 2022

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1

Gendugov, V. M., G. P. Glazunov, M. V. Evdokimova, and M. V. Shestakova. "Macrokinetic grounds for a soil microbial growth model." Moscow University Soil Science Bulletin 66, no. 2 (June 2011): 79–82. http://dx.doi.org/10.3103/s0147687411020049.

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2

Takors, R., W. Wiechert, and D. Weuster-Botz. "Experimental design for the identification of macrokinetic models and model discrimination." Biotechnology and Bioengineering 56, no. 5 (December 5, 1997): 564–76. http://dx.doi.org/10.1002/(sici)1097-0290(19971205)56:5<564::aid-bit10>3.0.co;2-c.

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3

Kriaučiūnas, K., and J. Kulys. "Macrokinetic Model of Catalase Electrode with Biphasic Enzyme Inhibition." Nonlinear Analysis: Modelling and Control 9, no. 3 (July 25, 2004): 241–46. http://dx.doi.org/10.15388/na.2004.9.3.15155.

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Анотація:

Macrokinetics of catalase based enzyme electrode was investigated in presence of enzyme inhibitor – hydroxylamine. The modeling of the electrode was performed using biphasic scheme of enzyme inhibition and external diffusion limitation. The maximal enzyme electrode sensitivity was indicated at transition from diffusion to kinetically controlled mode. The fitting of experimental data demonstrated that the enzyme electrode had 70% of maximal sensitivity

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4

Gendugov, V. M., and G. P. Glazunov. "Macrokinetic model of microbial growth on a multicomponent substrate." Moscow University Soil Science Bulletin 69, no. 3 (July 2014): 99–105. http://dx.doi.org/10.3103/s0147687414030028.

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5

Lu, M. G., M. J. Shim, and S. W. Kim. "The macrokinetic model of thermosetting polymers by phase-change theory." Materials Chemistry and Physics 56, no. 2 (October 1998): 193–97. http://dx.doi.org/10.1016/s0254-0584(98)00173-4.

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6

Ren, H. T., J. Q. Yuan, and K. H. Bellgardt. "Macrokinetic model for methylotrophic Pichia pastoris based on stoichiometric balance." Journal of Biotechnology 106, no. 1 (December 2003): 53–68. http://dx.doi.org/10.1016/j.jbiotec.2003.08.003.

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7

Bunev, V. A., A. A. Korzhavin, A. P. Senachin, and P. K. Senachin. "Fuel ignition delay in hydrogen diesel." Journal of Physics: Conference Series 2233, no. 1 (April 1, 2022): 012008. http://dx.doi.org/10.1088/1742-6596/2233/1/012008.

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Abstract A new mathematical model is considered for modeling the induction period of fuel self-ignition in a hydrogen diesel engine with high-pressure injection equipment. Reconstruction of the macrokinetic equation and numerical modeling of the process of self-ignition of fuel in a hydrogen diesel engine are carried out.

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8

Bi, Jingxiu, Feng Zhou, An-ping Zeng, and Jingqi Yuan. "A macrokinetic model for myeloma cell culture based on stoichiometric balance." Biotechnology and Applied Biochemistry 46, no. 2 (February 1, 2007): 85. http://dx.doi.org/10.1042/ba20060021.

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9

Bykov, V. I., S. M. Lomakin, S. B. Tsybenova, and S. D. Varfolomeev. "Macrokinetic model of pyrolysis of carbonaceous feedstock in a tubular reactor." Doklady Chemistry 467, no. 1 (March 2016): 76–78. http://dx.doi.org/10.1134/s0012500816030083.

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10

Streese, J., M. Schlegelmilch, K. Heining, and R. Stegmann. "A macrokinetic model for dimensioning of biofilters for VOC and odour treatment." Waste Management 25, no. 9 (January 2005): 965–74. http://dx.doi.org/10.1016/j.wasman.2005.07.009.

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11

Yuan, Jingqi, Yinghui Liu, and Jun Geng. "Stoichiometric balance based macrokinetic model for Penicillium chrysogenum in fed-batch fermentation." Process Biochemistry 45, no. 4 (April 2010): 542–48. http://dx.doi.org/10.1016/j.procbio.2009.11.015.

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12

Ke, Changming, and Zijing Lin. "Elementary reaction pathway study and a deduced macrokinetic model for the unified understanding of Ni-catalyzed steam methane reforming." Reaction Chemistry & Engineering 5, no. 5 (2020): 873–85. http://dx.doi.org/10.1039/c9re00460b.

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13

Barrigon, José Manuel, Francisco Valero, and José Luis Montesinos. "A macrokinetic model-based comparative meta-analysis of recombinant protein production byPichia pastorisunderAOX1promoter." Biotechnology and Bioengineering 112, no. 6 (April 17, 2015): 1132–45. http://dx.doi.org/10.1002/bit.25518.

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14

Zhang, Zhixiong, Xinjie Zhu, Ping Xie, Junwei Sun, and Jingqi Yuan. "Macrokinetic model for Gluconobacter oxydans in 2-keto-L-gulonic acid mixed culture." Biotechnology and Bioprocess Engineering 17, no. 5 (October 2012): 1008–17. http://dx.doi.org/10.1007/s12257-011-0400-4.

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15

Uskov, S. I., A. B. Shigarov, D. I. Potemkin, P. V. Snytnikov, V. A. Kirillov, and V. A. Sobyanin. "Three‐step macrokinetic model of butane and propane steam conversion to methane‐rich gas." International Journal of Chemical Kinetics 51, no. 10 (June 10, 2019): 731–35. http://dx.doi.org/10.1002/kin.21304.

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16

Polyanskii, L. N., E. N. Korzhov, D. D. Vakhnin, and T. A. Kravchenko. "A macrokinetic model of redox sorption on metal–ion exchanger nanocomposites at electrochemical polarization." Russian Journal of Physical Chemistry A 90, no. 8 (July 21, 2016): 1675–81. http://dx.doi.org/10.1134/s0036024416080239.

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17

Zhou, Feng, Jing-Xiu Bi, An-Ping Zeng, and Jing-Qi Yuan. "A macrokinetic and regulator model for myeloma cell culture based on metabolic balance of pathways." Process Biochemistry 41, no. 10 (October 2006): 2207–17. http://dx.doi.org/10.1016/j.procbio.2006.08.001.

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18

Panfilov, M. B., and I. V. Panfilova. "Macrokinetic model of the trapping process in two-phase fluid displacement in a porous medium." Fluid Dynamics 30, no. 3 (May 1995): 409–17. http://dx.doi.org/10.1007/bf02282453.

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19

Gendugov, V. M., G. P. Glazunov, M. V. Evdokimova, and M. V. Shestakova. "Macrokinetic grounds for a model of microbial growth on a substrate with a single major component." Moscow University Soil Science Bulletin 68, no. 2 (April 2013): 72–77. http://dx.doi.org/10.3103/s0147687413020026.

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20

Torre, Luigi, Alfonso Maffezzoli, and José M. Kenny. "A macrokinetic approach to crystallization applied to a new thermoplastic polyimide (New TPI) as a model polymer." Journal of Applied Polymer Science 56, no. 8 (May 23, 1995): 985–93. http://dx.doi.org/10.1002/app.1995.070560812.

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21

Donskoi, I. G., A. V. Keiko, A. N. Kozlov, D. A. Svishchev, and V. A. Shamanskii. "Calculation of the fixed bed coal gasification regimes by the use of thermodynamic model with macrokinetic constraints." Thermal Engineering 60, no. 12 (November 14, 2013): 904–9. http://dx.doi.org/10.1134/s0040601513120069.

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22

Yan, Xuefeng, and Weixiang Zhao. "A novel select-best and prepotency evolution algorithm and its application to develop industrial oxidation reaction macrokinetic model." Computers & Chemical Engineering 30, no. 5 (April 2006): 807–15. http://dx.doi.org/10.1016/j.compchemeng.2005.12.006.

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23

Lapshin, Oleg, Olga Shkoda, Oksana Ivanova, and Sergey Zelepugin. "Discrete One-Stage Mechanochemical Synthesis of Titanium-Nitride in a High-Energy Mill." Metals 11, no. 11 (October 30, 2021): 1743. http://dx.doi.org/10.3390/met11111743.

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Анотація:

Discrete (discontinuous) mechanochemical synthesis of titanium nitride was experimentally investigated. The experimental results show that mechanical activation intensifies the chemical conversion in the Ti-N system, and the discrete synthesis of the final product is conducted under “soft” controlled conditions without high heat release. The new theory of mechanochemical synthesis and the mathematical model based on it were used for theoretical evaluation of the dynamics of titanium activation in the nitrogen medium. It was found that the discrete mode of synthesis includes two factors accelerating mechanochemical reactions in the Ti-N synthesis: structural (grinding of metallic reagent and formation of interfacial areas) and kinetic (accumulation of excess energy stored in the formed structural defects in metallic reagent). The kinetic constants of the process were found using experimental data and the inverse problem method. The diagrams defining the controlled modes of obtaining titanium nitride particles with the given characteristics were constructed. A mathematical model for theoretical estimation of the dynamics of activation of titanium powder in the nitrogen medium was developed using a new macrokinetic theory of mechanochemical synthesis.

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24

Ryazhskikh, V. I., and K. S. Petrov. "A macrokinetic model of aerosol deposition of a dissolved component on the surface of crystal structures under isothermal conditions." Journal of Engineering Physics and Thermophysics 80, no. 4 (July 2007): 657–61. http://dx.doi.org/10.1007/s10891-007-0088-7.

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25

Rocha-Leão, M. H. M., M. A. Z. Coelho, and O. Q. F. Araújo. "Impact of the reg1 mutation glycocen accumulation and glucose consumption rates in Saccharomyces cerevisiae cells based on a macrokinetic model." Brazilian Journal of Chemical Engineering 20, no. 3 (September 2003): 241–50. http://dx.doi.org/10.1590/s0104-66322003000300004.

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26

Gendugov, V. M., and G. P. Glazunov. "Macrokinetic basis for the model of microbial growth in a limited volume under constant conditions with a single leading substrate." Biology Bulletin 40, no. 4 (July 2013): 365–71. http://dx.doi.org/10.1134/s1062359013040031.

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27

Yan, Xuefeng. "Data mining macrokinetic approach based on ANN and its application to model industrial oxidation of p-xylene to terephthalic acid." Chemical Engineering Science 62, no. 10 (May 2007): 2641–51. http://dx.doi.org/10.1016/j.ces.2007.02.006.

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28

Lovshenko, G. F., and B. B. Khina. "Macrokinetic mathematic model for inner oxidation of the alloys based on copper while annealing mechanically alloyed compositions of Cu-Al-CuO system." Вестник Белорусско-Российского университета, no. 4 (2006): 119–28. http://dx.doi.org/10.53078/20778481_2006_4_119.

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29

Мифтахов, Эльдар Наилевич, Светлана Анатольевна Мустафина, and Семен Израилевич Спивак. "Modelling and numerical study of the physicochemical laws of 1,4-cis-polyisoprene obtained in the presence of modified catalytic systems." Вычислительные технологии, no. 3 (July 15, 2020): 7–17. http://dx.doi.org/10.25743/ict.2020.25.3.002.

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Анотація:

Построена математическая модель, описывающая процесс получения полиизопрена в присутствии микрогетерогенных титансодержащих каталитических систем с учетом динамики активных центров. Построение модели носило поэтапный характер, при котором модель, описывающая периодический процесс, была дополнена рекуррентными соотношениями с целью описания процесса в каскаде реакторов идеального перемешивания. Численное решение прямой задачи позволило провести анализ молекулярно-массового распределения получаемого продукта в зависимости от исходной загрузки. The aim of this work is building a mathematical model that describes the process of producing polyisoprene in the presence of microheterogeneous titanium-containing catalytic systems, taking into account the dynamics of active centers and numerical calculation of the main physicochemical properties of the resulting product. The main methodology for compiling the mathematical model is the application of the kinetic approach, which consists of compiling and numerically solving the kinetic equations for all types of particles involved in the process. Previously, the distribution of active centers of the applied catalytic system was studied. The confirmed polycentricity of the used catalyst, represented by two types of active centers, is reflected in the nature of the description of the mathematical model. To reduce the system of differential equations to the final form, the method of moments was applied, which allows evaluating the complex properties of the obtained product by its averaged molecular characteristics. A model that permits describing the scale of batch reactors was modified by a macrokinetic module that takes into account possible energy and hydrodynamic laws of the process. For this, recurrence relations were introduced that are valid for the description of continuous mixing reactors. The software package developed by the authors of the work allows carring out a computational experiment for various technological conditions for conducting a continuous process. Based on the results of its launch, the dependences of conversion and averaged molecular characteristics on time in the context of each polymerizer were obtained. Thus, the numerical solution of the direct problem is capable analyzing the molecular weight distribution of the obtained product depending on various parameters of the initial load, for both the batch and continuous modes of the process. The dependences obtained by calculation showed satisfactory agreement with experimental data

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30

Bykov, V. I., and S. B. Tsybenova. "Nonlinear base models of macrokinetics." Kinetics and Catalysis 53, no. 6 (November 2012): 737–41. http://dx.doi.org/10.1134/s0023158412060031.

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31

Gumargalieva, Klara, Lidiya Zimina, and Gennady Zaikov. "Polyurethanes in Biological Media." Chemistry & Chemical Technology 3, no. 3 (September 15, 2009): 203–8. http://dx.doi.org/10.23939/chcht03.03.203.

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Анотація:

This paper provides information about macrokinetics of the degradation of polyesterurethanes in model biological media. Special attention was paid to stability of segmented polyurethanes in blood and development of colloid structures at long incubation in blood serum.

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32

Cueto, E., M. Laso, and F. Chinesta. "MESHLESS STOCHASTIC SIMULATION OF MICRO-MACROKINETIC THEORY MODELS." International Journal for Multiscale Computational Engineering 9, no. 1 (2011): 1–16. http://dx.doi.org/10.1615/intjmultcompeng.v9.i1.20.

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33

Aminov, Yu A., A. V. Vershinin, N. S. Es’kov, O. V. Kostitsyn, G. N. Rykovanov, V. A. Sibilev, and M. A. Strizhenok. "Modified detonation macrokinetics model of a tatb-based explosive." Combustion, Explosion, and Shock Waves 33, no. 1 (January 1997): 77–80. http://dx.doi.org/10.1007/bf02671856.

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34

Panfilov, M. B. "Macrokinetics of trapping in the cyclic effective medium model." Fluid Dynamics 30, no. 2 (April 1995): 231–37. http://dx.doi.org/10.1007/bf02029835.

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35

Prokofyev, Vadim, and Victor Smolyakov. "Combustion of Gasless System under One-Sided Loading." Advances in Science and Technology 88 (October 2014): 80–84. http://dx.doi.org/10.4028/www.scientific.net/ast.88.80.

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Анотація:

Controlling the formation of condensed products during combustion of heterogeneous systems is one of the key problems in structural macrokinetics [1]. Modeling of this process at the macroscopic level should describe the change of macrostructural variables: porosity, size and shape of specimens. This paper provides the results of research in macrostructural transformations obtained using the model of a viscous compressible fluid [2].

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36

Nikam, Pravin N., and Vineeta D. Deshpande. "Isothermal crystallization kinetics of PET/alumina nanocomposites using distinct macrokinetic models." Journal of Thermal Analysis and Calorimetry 138, no. 2 (March 23, 2019): 1049–67. http://dx.doi.org/10.1007/s10973-019-08192-x.

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37

Albano, Carmen, José Papa, Miren Ichazo, Jeanette González, and Carmen Ustariz. "Application of different macrokinetic models to the isothermal crystallization of PP/talc blends." Composite Structures 62, no. 3-4 (January 2003): 291–302. http://dx.doi.org/10.1016/j.compstruct.2003.09.028.

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38

Liu, Jing Chong, Jing Song, Yu Wang, Qian Qian Wang, Tao Qi, Chang Qiao Zhang, and Jing Kui Qu. "Kinetics Studies on a Novel Decomposition Method of Zircon Sand." Advanced Materials Research 953-954 (June 2014): 1113–16. http://dx.doi.org/10.4028/www.scientific.net/amr.953-954.1113.

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Анотація:

A novel method was proposed for preparing oxychloride octahydrate by the two – step decomposition of zircon sand concentrate in sodium hydroxide system. The effect of decomposition temperature and NaOH – to – zircon mass ratio of each stage on the decomposition of zircon sand was investigated. The macrokinetics of the two – step decomposition process was also examined. The experimental date showed that the shrinking core model with diffusion through the residual layer is most applicable for the first step decomposition process with the apparent activation energy of 42.9 kJ/mol, but the second step process was controlled by chemical reaction with the apparent activation energy of 30.1 kJ/mol.

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39

Lapshin, Oleg, and Oksana Ivanova. "Macrokinetics of mechanochemical synthesis in heterogeneous systems: Mathematical model and evaluation of thermokinetic constants." Materials Today Communications 28 (September 2021): 102671. http://dx.doi.org/10.1016/j.mtcomm.2021.102671.

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40

Prokofiev, Vadim, and Victor Smolyakov. "Macrokinetics for Macrostructure Forming of a Product in Self-Propagating High-Temperature Synthesis." Advances in Science and Technology 63 (October 2010): 222–27. http://dx.doi.org/10.4028/www.scientific.net/ast.63.222.

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Анотація:

A heterogeneous model for ignition and combustion of cylindrical free-gas samples with a gas-permeable and impermeable surface, including the description of structural and phase transformations is formulated. The effective method for numerical model research, taking into account a zonal structure of combustion wave is offered. Dynamics of porous structure forming of products from a stage of ignition up to the steady mode of exothermal reaction front propagation is considered. The calculated stationary combustion rate and elongation of a burned specimen versus its diameter, particle size of a fusible component, initial porosity and pressure of inert gas are received. Experimental data are qualitatively compared with calculated ones. The change in characteristics of combustion wave in a non-stationary mode is analyzed. The structural oscillations resulting in lamination of a porous specimen in a zone of synthesis products in a self-oscillatory combustion mode are found out. The factors, which are the reason for structural oscillations occurrence are determined. Modeling for mechanical compression of a sample shows that a stabilizing effect on the process of combustion consists of additional compensation of loosening forces.

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41

Sun, C. T., and G. L. Huang. "Modeling Heterogeneous Media With Microstructures of Different Scales." Journal of Applied Mechanics 74, no. 2 (January 24, 2006): 203–9. http://dx.doi.org/10.1115/1.2188536.

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Анотація:

The objective of this paper is to extend the framework of the continuum theory so that it can capture the properties that are embedded in the microstructure or nanostructure and still keep its simplicity and efficiency. The model thus developed is capable of accounting for local deformation of microstructures in solids especially their micro- (local) inertia effect. The essence underlying this approach is the introduction of a set of bridging functions that relate the local deformation of microstructures to the macrokinematic variables. Once the solution of the macroscopically homogeneous continuum is obtained, the solutions in the microstructures are obtained through the use of these bridging functions. Propagation of waves of different wavelengths is considered and the dispersion curve is used to evaluate the accuracy of the model. The model is also employed to study wave reflection and transmission at the boundary of two media with microstructures of very different scales.

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42

Supaphol, Pitt. "Application of the Avrami, Tobin, Malkin, and Urbanovici–Segal macrokinetic models to isothermal crystallization of syndiotactic polypropylene." Thermochimica Acta 370, no. 1-2 (April 2001): 37–48. http://dx.doi.org/10.1016/s0040-6031(00)00767-x.

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43

SUPAPHOL, PITT, and JOSEPH E. SPRUIELL. "Application of the Avrami, Tobin, Malkin, and Simultaneous Avrami Macrokinetic Models to Isothermal Crystallization of Syndiotactic Polypropylenes." Journal of Macromolecular Science, Part B 39, no. 2 (March 14, 2000): 257–77. http://dx.doi.org/10.1081/mb-100100384.

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44

Janković, Bojan, Milena Marinović-Cincović, and Miroslav D. Dramićanin. "Study of non-isothermal crystallization of Eu3+ doped Zn2SiO4 powders through the application of various macrokinetic models." Journal of Alloys and Compounds 587 (February 2014): 398–414. http://dx.doi.org/10.1016/j.jallcom.2013.10.240.

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45

Zeradjanin, Aleksandar. "Impact of the spatial distribution of morphological pattern on the efficiency of electrocatalytic gas evolving reactions." Journal of the Serbian Chemical Society 79, no. 3 (2014): 325–30. http://dx.doi.org/10.2298/jsc131002106z.

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Анотація:

The efficiency of electrocatalytic gas evolving reactions (hydrogen, chlorine and oxygen evolution) is a key challenge for the important industrial processes, such as chlor-alkali electrolysis or water electrolysis. Central issue for the aforementioned electrocatalytic processes is huge power consumption. Experimental results accumulated in the past, as well as some predictive models ("volcano" plots) indicate that altering the nature of the electrode material cannot significantly increase the activity of mentioned reactions. Consequently, it is necessary to find a qualitatively different strategy for improving the energy efficiency of electrocatalytic gas evolving reactions. Usually disregarded fact is that the gas evolution is an oscillatory phenomenon. Given the oscillatory behavior, a key parameter of macrokinetics of gas electrode is the frequency of gas-bubble detachment. Bearing in mind that the gas evolution greatly depends on the surface morphology, a methodology is proposed that establishes a rational link between the morphological pattern of electrode with electrode activity and stability. Characterization was performed using advanced analytical tools. Frequency of gas-bubble detachment is obtained in the configuration of scanning electrochemical microscopy (SECM) while the corrosion stability is analyzed using miniaturized scanning flow electrochemical cell connected to the mass spectrometer (SFC-ICPMS).

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46

Shmakov, I. A., and V. I. Jordan. "Computer 3D-simulation of the temperature and diffusion kinetics of SHS in the closest packing of Ni@Al “core-shell” mesocells for modes with variable values of the key ignition parameters." Journal of Physics: Conference Series 2142, no. 1 (December 1, 2021): 012015. http://dx.doi.org/10.1088/1742-6596/2142/1/012015.

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Abstract The paper presents the results of computer 3D-simulation of the temperature and diffusion kinetics of SHS in a test model cluster of Ni-Al particles for modes with variable values of the key parameters of the SHS combustion wave ignition. The key parameters for the SHS combustion wave ignition were chosen as follows: the initial temperature for preliminary heating of the Ni-Al particles mixture, the ignition temperature of the combustion wave in the mixture of Ni-Al particles, the duration of the action of the heat pulse until the combustion wave ignition, and the thickness of the ignited layer in the mixture of particles. A program has been created to generate a test model cluster in the form of the closest ball packing of the Ni@Al “core-shell” mesocells (CBP-structure cluster of the Ni@Al “core-shell” mesocells). Using such a CBP-structure cluster, was continued a testing of created software package intended for 3D-simulation of SHS macrokinetics in a heterogeneous particle mixture, taking into account parallel MPI-calculations. In addition, the value ranges of the key parameters of the SHS combustion wave ignition for which the simulation results are in adequate agreement with the experimental data are determined as the parameters of the program model for SHS-simulation. The results of computational experiments have shown that diffusion kinetics is interrelated with temperature kinetics, and in mesocells with different locations within the CBP-structure cluster, the formation of intermetallic phases occurs inhomogeneously.

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47

Yucel Akkutlu, I., and Ebrahim Fathi. "Multiscale Gas Transport in Shales With Local Kerogen Heterogeneities." SPE Journal 17, no. 04 (November 1, 2012): 1002–11. http://dx.doi.org/10.2118/146422-pa.

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Summary On the basis of micro- and mesoscale investigations, a new mathematical formulation is introduced in detail to investigate multiscale gas-transport phenomena in organic-rich-shale core samples. The formulation includes dual-porosity continua, where shale permeability is associated with inorganic matrix with relatively large irregularly shaped pores and fractures, whereas molecular phenomena (diffusive transport and nonlinear sorption) are associated with the kerogen pores. Kerogen is considered a nanoporous organic material finely dispersed within the inorganic matrix. The formulation is used to model and history match gas-permeation measurements in the laboratory using shale core plugs under confining stress. The results indicate significance of molecular transport and strong transient effects caused by gas/solid interactions within the kerogen. In the second part of the paper, we present a novel multiscale perturbation approach to quantify the overall impact of local porosity fluctuations associated with a spatially nonuniform kerogen distribution on the adsorption and transport in shale gas reservoirs. Adopting weak-noise and mean-field approximation, the approach applies a stochastic upscaling technique to the mathematical formulation developed in the first part for the laboratory. It allows us to investigate local kerogen-heterogeneity effects in spectral (Fourier-Laplace) domain and to obtain an upscaled "macroscopic" model, which consists of the local heterogeneity effects in the real time—space domain. The new upscaled formulation is compared numerically with the previous homogeneous case using finite-difference approximations to initial/boundary value problems simulating the matrix gas release. We show that macrotransport and macrokinetics effects of kerogen heterogeneity are nontrivial and affect cumulative gas recovery. The work is important and timely for development of new-generation shale-gas reservoir-flow simulators, and it can be used in the laboratory for organic-rich gas-shale characterization.

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48

Peshkov, S. V., D. V. Konev, E. S. Kipriyanova, T. A. Kravchenko, and A. I. Kalinichev. "Regard for particle size distribution in a model of the macrokinetics of the reduction of oxygen dissolved in water by a metal-ion-exchanger nanocomposite." Russian Journal of Physical Chemistry A 85, no. 9 (July 30, 2011): 1616–21. http://dx.doi.org/10.1134/s0036024411090226.

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49

Hu, Chunping, and Xuefeng Yan. "Novel Macrokinetic Model for Industrial Hydrogenation Purifying of Terephthalic Acid." Chemical Product and Process Modeling 3, no. 1 (September 5, 2008). http://dx.doi.org/10.2202/1934-2659.1250.

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A novel macrokinetic model is proposed for the hydrogenation purifying of terephthalic acid (HPTA), which is catalyzed by Pd/C in an industrial trickle-bed reactor (TBR). First, the reaction orders of HPTA are estimated by the mass transfer-free experiment data in the laboratory stirred batch reactor (SBR). The hydrogenation reaction kinetics is assumed to be first-order with respect to 4-carboxybenzaldehyde (4-CBA), which is the most important contamination of terephthalic acid and hydrogenated to produce p-toluic acid. Second, due to the fact that the reaction factors of HPTA have a high-nonlinear and complex effect on the reaction rate constant of HPTA, the nonlinear partial least squares regression method was used to model the influence of the reaction factors on the rate constant based on the transfer-free experiment data of HPTA in the laboratory SBR. Thus, the macrokinetic model of HPTA in the laboratory SBR is developed. Third, to indicate the difference between HPTA in the industrial TBR and that in the laboratory SBR, the correction coefficients were proposed and introduced into the obtained rate constant model to describe the influence of the reaction factors on HPTA in the industrial TBR. Based on the macrokinetic model with the unknown correction coefficients and the data obtained in the industrial TBR, differential evolution (DE) algorithm was used to obtain the optimum correction coefficients according to the fitting performance of the macrokinetic model, and the macrokinetic model for HPTA in the industrial TBR was developed. Further, the reliability of the model was investigated and satisfactory results were obtained.

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50

Sousa, Jokdérlea Correa, Salim Abdelnor Arruda, Juliana Cisneiros Lima, Renate Maria Ramos Wellen, Eduardo Luis Canedo, and Yêda Medeiros Bastos de Almeida. "Crystallization kinetics of poly (butylene adipate terephthalate) in biocomposite with coconut fiber." Matéria (Rio de Janeiro) 24, no. 3 (2019). http://dx.doi.org/10.1590/s1517-707620190003.0734.

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ABSTRACT The melt crystallization characteristics of a compound of coconut lignocellulosic fibers dispersed in poly(butylene adipate terephthalate) (PBAT), a fully biodegradable copolyester matrix, was studied by differential scanning calorimetry (DSC). PBAT/coconut fiber compounds with 10% and 20% filler content were prepared in a laboratory internal mixer; torque rheometry showed negligible degradation during processing. Nonisothermal melt crystallization of the matrix was thoroughly studied by DSC in 10% compounds at cooling rates between 2 and 32°C/min, and quantitative information was provided on crystallization temperatures and rates, as well as the crystallinity developed, which turned out to be higher than expected at the high cooling rates. Crystallization kinetic results were correlated using classical macrokinetic Pseudo-Avrami, Ozawa, and Mo models, in order to obtain quantitative analytical expressions appropriate for processing applications. Pseudo-Avrami and Mo models were found to represent well the experimental data. A detailed analysis of the model fitting is presented, in order to assess the expected uncertainties. Despite its failings at the onset and end of the crystallization process, Mo model is recommended as best overall empirical correlation of the experimental data for the intended purpose.

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