A Detailed Molecular Dynamics Simulation and Experimental Investigation on the Interfacial Bonding Mechanism of an Epoxy Adhesive on Carbon Steel Sheets Decorated with a Novel Cerium–Lanthanum Nanofilm

Bahlakeh, Ghasem; Ramezanzadeh, Bahram

doi:10.1021/acsami.7b00644

Cited by 91 publications

(49 citation statements)

References 61 publications

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“…An increasing number of studies analyzed polymer swelling caused by water diffusion, and the problems undoubtedly correspond to two aspects. One is the formation condition of water clusters, and the other is based on whether or not the interaction between water and polymers occurs (as shown in Figure 6 [73]). This phenomenon is perhaps related to the hydrogen-bond energy and activation energy; that is to say, the relationship between these two values is the key to the formation of hydrogen bonds.…”

Section: Water Absorption and Desorption In Polymersmentioning

confidence: 99%

A Comprehensive Review on Water Diffusion in Polymers Focusing on the Polymer–Metal Interface Combination

Yang

Xing

et al. 2020

Polymers

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Water diffusion in polymers is relevant to a broad range of physicochemical phenomena and technological processes. Although many fields contributed to rapid progress in the fundamental knowledge of water–polymer interactions, detailed understandings come mainly from interpreting numerous experiments. These studies showed that a remarkably rich variety of diffusion forms between water and even seemingly simple polymers. In this review, focusing on the gravimetric and capacitance method, we discuss contradictions and problems existing for water diffusion in polymers in detail from perspectives of experiments and models, focusing on the analysis of error derived from widely used methods, especially for the Brasher–Kingsbury equation. We also provide a perspective on outstanding problems, challenges, and open questions, including water clusters, relaxation, and electrochemical reactions at the metal/polymer interface, as well as expanding the theoretical prospective.

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Section: Water Absorption and Desorption In Polymersmentioning

confidence: 99%

A Comprehensive Review on Water Diffusion in Polymers Focusing on the Polymer–Metal Interface Combination

Yang

Xing

et al. 2020

Polymers

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“…Epoxy resins and their derived materials interact strongly and primarily adsorb on the metallic surface through the process of complexation (metal‐chelate bonding). The epoxy and metal surface interactions may also result in some secondary interactions including Van der Waals force and hydrogen bonding . The secondary bindings play a significant role in preventing corrosive ions or dissolved oxygen inside the coating and retard any possibilities of corrosive dissolution .…”

Section: Introductionmentioning

confidence: 99%

“…The epoxy and metal surface interactions may also result in some secondary interactions including Van der Waals force and hydrogen bonding . The secondary bindings play a significant role in preventing corrosive ions or dissolved oxygen inside the coating and retard any possibilities of corrosive dissolution . It is important to mention that secondary interaction forces are highly susceptible to degradation in the presence of aqueous impurities .…”

Section: Introductionmentioning

confidence: 99%

“…The epoxy and metal surface interactions may also result in some secondary interactions including Van der Waals force and hydrogen bonding. 5 The secondary bindings play a significant role in preventing corrosive ions or dissolved Additional Supporting Information may be found in the online version of this article. oxygen inside the coating and retard any possibilities of corrosive dissolution.…”

Section: Introductionmentioning

confidence: 99%

“…oxygen inside the coating and retard any possibilities of corrosive dissolution. 5 It is important to mention that secondary interaction forces are highly susceptible to degradation in the presence of aqueous impurities. 6 As epoxy resins and their derivatives show high anti-corrosive behavior, many attentions require toward the development and exploration of this type of anticorrosive materials for industrial applications including anticorrosive coatings for the marine equipment.…”

Section: Introductionmentioning

confidence: 99%

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DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

Dagdag

Berisha

Safi

et al. 2019

J of Applied Polymer Sci

111

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The present study is focusing on evaluating theoretically and experimentally stability and type of interactions between the epoxy resin bisphenol A diglycidyl ether (DGEBA)‐polyaminoamide anticorrosive coating and high strength low alloy steel surface 15CDV6. The coated steel samples were subjected to a harsh environment of an electrolyte solution of 3 wt % NaCl to simulate the corrosive marine environment. The performance of the epoxy coating was investigated using electrochemical impedance spectroscopy (EIS). The EIS results revealed the occurrence of some deterioration in the film after subjecting it to a harsh environment for 4392 h, because the impedance of the coating dropped by about 1.4 kΩ.cm2. Surface morphological study of metallic specimens before and after exposing to the simulated marine environment (3 wt % NaCl) was carried out using scanning electron microscopy, energy dispersive spectroscopy (EDS), and optical microscope (OM) methods. The interactions between DGEBA‐polyaminoamide and the metallic surface were further carried out using computation modeling such as density functional theory (DFT)‐based quantum chemical calculations, Monte Carlo (MC), and molecular dynamics (MD) simulations. Results showed that DGEBA‐polyaminoamide possesses a strong tendency to adhere and inhibits the corrosive dissolution of 15CDV6 steel surface in the stimulated marine environment. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48402.

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Flow injection chemiluminescence determination of ethion and computational investigation of the adsorption process on molecularly imprinted polymerized high internal phase emulsion

et al. 2022

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The lack of sufficient selectivity is the main limitation of chemiluminescence (CL) methods; because the CL reagent is not restricted to a specific analyte. This study investigated the preconcentration and determination of ethion using a flow injection CL (FIA‐CL) method using a molecularly imprinted poly high internal phase emulsion (MIP‐polyHIPE) adsorbent. Preliminary studies showed that ethion could be determined with high sensitivity in the Ru(bipy)32+–acidic Ce(IV) CL system. A MIP‐polyHIPE adsorbent was synthesized and used for preconcentration to increase the selectivity and sensitivity of the method. The adsorption of ethion on the adsorbent was investigated using density functional theory (DFT) and molecular dynamics (MD), UV–vis and FTIR spectrophotometry and liquid chromatography–tandem mass spectrometry (LC–MS–MS). Response surface methodology (RSM) and central composite design (CCD) were used to find optimized concentrations of variables. The linear dynamic range (LDR) and limit of detection (LOD) for ethion in the FIA‐CL method were calculated 1.0 ⨯ 10−9 to 2.0 ⨯ 10−7 and 6.0 ⨯ 10−10 mol L−1, respectively. The percentage of relative standard deviation for five repetitive measurements of 5.0 ⨯ 10−8 mol L−1 ethion was 4.2%. The proposed method was successfully used to separate and preconcentrate ethion from drinking and surface water sources.

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A Detailed Molecular Dynamics Simulation and Experimental Investigation on the Interfacial Bonding Mechanism of an Epoxy Adhesive on Carbon Steel Sheets Decorated with a Novel Cerium–Lanthanum Nanofilm

Cited by 91 publications

References 61 publications

A Comprehensive Review on Water Diffusion in Polymers Focusing on the Polymer–Metal Interface Combination

A Comprehensive Review on Water Diffusion in Polymers Focusing on the Polymer–Metal Interface Combination

DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

Flow injection chemiluminescence determination of ethion and computational investigation of the adsorption process on molecularly imprinted polymerized high internal phase emulsion

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