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  • Open Access

    PROCEEDINGS

    A Thermo-Chemo-Mechanically Coupled Peridynamic Model for Investigating the Crack Behaviors of Deformable Solids with Heat Conduction, Species Diffusion, and Chemical Reactions

    Yu Xiang1, Bao Qin2, Zheng Zhong1,*, Zhenjun Jiao1,*

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.26, No.4, pp. 1-1, 2023, DOI:10.32604/icces.2023.09088

    Abstract A thermo-chemo-mechanically (TCM) coupled peridynamic (PD) model is proposed to analyze the crack behavior in solids considering heat conduction, species diffusion, and chemical reactions. A PD theoretical framework is established based on non-equilibrium thermodynamics. The influences of species diffusion and chemical reactions on the Helmholtz free energy density and the subsequent formation and propagation of cracks are distinguished by introducing the concentration of diffusive species and the extent of the chemical reaction. Furthermore, inter-physics coupling coefficients are calibrated by equating the corresponding field in the PD model to the continuum mechanics under the same condition. More >

  • Open Access

    ARTICLE

    Hydrolysable Chestnut Tannin Extract Chemical Complexity in Its Reactions for Non-Isocyanate Polyurethanes (NIPU) Foams

    Elham Azadeh1, Antonio Pizzi1,2,*, Christine Gerardin-Charbonnier1,*, Philippe Gerardin1

    Journal of Renewable Materials, Vol.11, No.6, pp. 2823-2848, 2023, DOI:10.32604/jrm.2023.027651 - 27 April 2023

    Abstract Non-isocyanate polyurethane (NIPU) foams from a commercial hydrolysable tannin extract, chestnut wood tannin extract, have been prepared to determine what chemical species and products are taking part in the reactions involved. This method is based on two main steps: the reaction with dimethyl carbonate and the formation of urethane bonds by further reaction of the carbonated tannin with a diamine-like hexamethylene diamine. The hydroxyl groups on the tannin polyphenols and on the carbohydrates intimately linked with it and part of a hydrolysable tannin are the groups involved in these reactions. The carbohydrate skeleton of the… More > Graphic Abstract

    Hydrolysable Chestnut Tannin Extract Chemical Complexity in Its  Reactions for Non-Isocyanate Polyurethanes (NIPU) Foams

  • Open Access

    ARTICLE

    Kinetic Modeling of Light Naphtha Hydroisomerization in an Industrial Universal Oil Products Penex™ Unit

    Ramzy S. Hamied1, Zaidoon M. Shakor2,*, Anfal H. Sadeiq1, Adnan A. Abdul Razak2, Ammar T. Khadim3

    Energy Engineering, Vol.120, No.6, pp. 1371-1386, 2023, DOI:10.32604/ee.2023.028441 - 03 April 2023

    Abstract Recently, the isomerization of light naphtha has been increasingly significant in assisting refiners in meeting sternness specifications for gasoline. Isomerization process provides refiners with the advantage of reducing sulfur, olefin, and benzene in the gasoline basin without significantly victimizing the octane. The mathematical modeling of a chemical reaction is a critical tool due to it can used to optimize the experimental data to estimate the optimum operating conditions for industrial reactors. This paper describes light naphtha isomerization reactions over a Pt/Al2O3-Cl catalyst at the Al-Dura Oil Refinery (Baghdad, Iraq) using a newly developed universal mathematical model.… More >

  • Open Access

    ARTICLE

    A Methodology to Reduce Thermal Gradients Due to the Exothermic Reactions in Resin Transfer Molding Applications

    Aouatif Saad1,*, Mohammed EL Ganaoui2

    FDMP-Fluid Dynamics & Materials Processing, Vol.19, No.1, pp. 95-103, 2023, DOI:10.32604/fdmp.2023.022014 - 02 August 2022

    Abstract Resin transfer molding (RTM) is among the most used manufacturing processes for composite parts. Initially, the resin cure is initiated by heat supply to the mold. The supplementary heat generated during the reaction can cause thermal gradients in the composite, potentially leading to undesired residual stresses which can cause shrinkage and warpage. In the present numerical study of these processes, a one-dimensional finite difference method is used to predict the temperature evolution and the degree of cure in the course of the resin polymerization; the effect of some parameters on the thermal gradient is then More >

  • Open Access

    ARTICLE

    From Similarities to Probabilities: Feature Engineering for Predicting Drugs’ Adverse Reactions

    Nahla H. Barakat*, Ahmed H. ElSabbagh

    Intelligent Automation & Soft Computing, Vol.32, No.2, pp. 1207-1224, 2022, DOI:10.32604/iasc.2022.022104 - 17 November 2021

    Abstract Social media recently became convenient platforms for different groups with common concerns to share their experiences, including Adverse Drug Reactions (ADRs). In this paper, we propose a two stage intelligent algorithm which we call “Simi_to_Prob”, that utilizes social media forums; for ranking ADRs, and evaluating the ADRs prevalence considering different age and gender groups as its first stage. In the second stage, ADRs are predicted utilizing a different data set from the Food and Drug Administration (FDA). In particular, Natural Language Processing (NLP) is used on social media to extract ranked lists of ADRs, which… More >

  • Open Access

    ARTICLE

    Reactions’ Descriptors Selection and Yield Estimation Using Metaheuristic Algorithms and Voting Ensemble

    Olutomilayo Olayemi Petinrin1, Faisal Saeed2, Xiangtao Li1, Fahad Ghabban2, Ka-Chun Wong1,3,*

    CMC-Computers, Materials & Continua, Vol.70, No.3, pp. 4745-4762, 2022, DOI:10.32604/cmc.2022.020523 - 11 October 2021

    Abstract Bioactive compounds in plants, which can be synthesized using N-arylation methods such as the Buchwald-Hartwig reaction, are essential in drug discovery for their pharmacological effects. Important descriptors are necessary for the estimation of yields in these reactions. This study explores ten metaheuristic algorithms for descriptor selection and model a voting ensemble for evaluation. The algorithms were evaluated based on computational time and the number of selected descriptors. Analyses show that robust performance is obtained with more descriptors, compared to cases where fewer descriptors are selected. The essential descriptor was deduced based on the frequency of More >

  • Open Access

    ARTICLE

    Hybrid Nanofluid Flow with Homogeneous-Heterogeneous Reactions

    Iskandar Waini1,2, Anuar Ishak2,*, Ioan Pop3

    CMC-Computers, Materials & Continua, Vol.68, No.3, pp. 3255-3269, 2021, DOI:10.32604/cmc.2021.017643 - 06 May 2021

    Abstract This study examines the stagnation point flow over a stretching/shrinking sheet in a hybrid nanofluid with homogeneous-heterogeneous reactions. The hybrid nanofluid consists of copper (Cu) and alumina (Al2O3) nanoparticles which are added into water to form Cu-Al2O3/water hybrid nanofluid. The similarity equations are obtained using a similarity transformation. Then, the function bvp4c in MATLAB is utilised to obtain the numerical results. The dual solutions are found for limited values of the stretching/shrinking parameter. Also, the turning point arises in the shrinking region (λ < 0). Besides, the presence of hybrid nanoparticles enhances the heat transfer rate,… More >

  • Open Access

    ARTICLE

    Covalent and Ionic Bonding between Tannin and Collagen in Leather Making and Shrinking: A MALDI-ToF Study

    Antonio Pizzi*

    Journal of Renewable Materials, Vol.9, No.8, pp. 1345-1364, 2021, DOI:10.32604/jrm.2021.015663 - 08 April 2021

    Abstract Collagen powder hydrolysates were reacted with a solution of commercial mimosa bark tannin extract. The mixture was prepared at ambient temperature and prepared at 80°C to determine what reactions, if any, did occur between the collagen protein through its amino acids and the polyphenolic condensed tannin. The reaction products obtained were analyzed by matrix assisted laser desorption ionization time-of-flight (MALDI ToF) mass spectrometry. Reactions between the two materials did appear to occur, with the formation of a relatively small proportion of covalent and ionic linkages at ambient temperature but a considerable proportion of covalent linkages… More >

  • Open Access

    ARTICLE

    Differential Catalysis of Depolymerisation and Dehydration Reactions: Producing Furfural from Plant Biomass

    Nikolajs Vedernikovs*

    Journal of Renewable Materials, Vol.8, No.6, pp. 661-674, 2020, DOI:10.32604/jrm.2020.09274 - 12 May 2020

    Abstract The main principles of the technological realisation of the furfural obtaining process have been formulated by Ricard [1]. Based on his recommendations, all investigators proceeded from the assumption that the depolymerisation of pentosans and the dehydration of pentoses in the one-step production of furfural from raw plant material must be accelerated with diluted catalyst solutions. According to this theory, uniform impregnation of the raw material with a catalyst solution is considered necessary. The reduction in the amount of the catalyst solution down to 30–40% of the mass of the dry raw material, suggested by Miner… More >

  • Open Access

    ARTICLE

    Clinical Analysis of Hypersensitivity Reactions to Oxaliplatin Among Colorectal Cancer Patients

    Yuping Shen, Chunyan Li, Weixing Liu, Wei Mao, Hong Qian, Hui Wang, Qing Xu

    Oncology Research, Vol.26, No.5, pp. 801-807, 2018, DOI:10.3727/096504017X15139039328978

    Abstract This study investigated the characteristics of oxaliplatin-induced hypersensitivity reactions (HSRs) and evaluated the efficacy of premedication for controlling HSRs among colorectal cancer patients. A retrospective study was performed on the clinical records of 291 patients with colorectal cancer in The Tenth People’s Hospital of Shanghai from January 2008 to January 2016. Patients who experienced HSRs to oxaliplatin were compared with those who did not. A total of 291 colorectal cancer patients received oxaliplatin, with 39 (13.40%) experiencing HSRs. Oxaliplatin-free interval and premedication with dexamethasone and antihistamine were independent variables for oxaliplatin-related HSRs. Rechallenging patients with More >

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