Chemisorbed Layer Research Articles

Immobilization of zirconium-modified activated carbon in an alginate matrix for the removal of atrazine: Preparation, performances and mechanisms

As an organic herbicide widely used in agriculture, atrazine has the characteristics of environmental persistence, high mobility and long half-life period, posing potential risks to the ecological environment. The materials commonly used to remove atrazine are powdered activated carbon and its modified materials, which have problems such as difficulty in recycling and secondary contamination. In order to solve the above problems, in this study, a new functional material EI-Zr@AC was prepared by immobilizing zirconium-modified activated carbon powder (Zr@AC) in an alginate matrix via the embedding immobilization (EI) technique, and was employed for removing atrazine in water. At the optimal preparation conditions of 2.5 % sodium alginate, 4.0 % CaCl2, 1.0 % Zr@AC and 2.0 % bentonite, the prepared EI-Zr@AC beads had the characteristics of high porosity, dense reticulation, and a large number of functional groups with optimal mechanical strength and mass transfer properties. When solution pH 3.0, temperature 25°C, and EI-Zr@AC dosage of 16 g/L, the removal efficiency of atrazine by EI-Zr@AC was 91.9 %. It showed that the atrazine removal by EI-Zr@AC was mainly the chemisorption and multimolecular layer adsorption. In addition, the EI-Zr@AC could be recycled after simple recycling method, and the removal of atrazine at 5.0 mg/L by the beads was still 55.5 % after five cycles, and the structure of the beads remained intact and Zr ion leaching rate was very low. The results showed that EI-Zr@AC was a kind of environmental remediation material with high application value.

Polyaniline/Graphene oxide composite as an Ultra-Sensitive humidity sensor

This paper investigated the humidity-sensing response of polyaniline/Graphene oxide (PGO) composites. Graphene oxide (GO) was synthesised using the improvised hummers method, and polyaniline (PANI) was synthesised using the chemical in-situ polymerisation process. By adding different weights per cent (wt%) of Graphene oxide (GO) to the polymer matrix, PGO composites were prepared. Structural and morphological properties of GO were confirmed by XRD, RAMAN, FTIR, SEM, EDX, and HR-TEM (elementary mapping) characterisations. The XRD, FTIR SEM and EDX proficiencies were employed to characterise the PGO composites. To experience the humidity response performance, the film of PANI, GO, and PGO samples was groomed by wedging the sample on an IDT substrate using a drop casting technique. Among the samples, the PGO-3 composite (polyaniline/Graphene oxide 15 wt%) depicted a maximum sensing response (SH) of 93.4 % with a dynamic timing behaviour of 4 s and 7 s. The Nobel characters, such as low accurate Sensing response, fewer detection limits (LOD), negligible hysteresis and perfect stability, were observed in the PGO-3 composite. The physical properties such as porosity, water content, and degree of swelling have been outstandingly enhanced in the PGO-3 composite compared to PANI and GO. The mechanism for sensing the PGO-3 composites was deliberately explained based on establishing superficial physisorption, chemisorption layers, and later capillary condensation.

Quick responding humidity sensor based on polyaniline/reduced graphene oxide composite

The relative humidity sensing response of the Polyaniline/ reduced Graphene Oxide (PRGO) composites has been explored in this present research work. For these observations, polyaniline (PANI), synthesised by the chemical oxidative polymerisation process, was physically blended using the different mass ratios of reduced graphene oxide (rGO). By the improved hummers method, graphene oxide (GO) is prepared, adding the minimal quantity of selenium power, and the GO was effectively and facilely reduced to rGO. By adding different weight per cent (wt%) of reduced Graphene oxide (rGO) to the polymer matrix, PRGO composites were prepared. Structural and morphological properties of rGO were confirmed by XRD, RAMAN, FTIR, SEM, EDX, and HR-TEM (elementary mapping) characterisations. XRD, FTIR SEM and EDX proficiencies were employed to characterise the PRGO composites. For the humidity sensing determination, the sensing film of the PANI, rGO, and PRGO composites is groomed by loading the sample on an IDT substrate through a drop casting technique. The PRGO-3 composite has shown an epitome response and recovery of 3 and 4 s, respectively. The PRGO-3 composite has the most minored and less real sensitivity with a lower limit of detection (LOD). Also, the prepared PRGO composites have recorded less hysteresis and good linearity and depicted exact stability over PANI and other PRGO composites. The physical parameters for PRGO composites were also calculated to determine the potentiality of a perfect sensor. The sensing mechanism also hashed out based on establishing chemisorption and physisorption layers.

Cysteamine Chemisorption at Mercury-Solution Interfaces in the Context of Redox and Microdissociation Equilibria.

The redox behavior and chemisorption of cysteamine (CA) at a charged mercury surface are described, with an emphasis on its acid-base properties supported by molecular dynamics and quantum mechanical calculations. It was found that CA forms chemisorbed layers on the surface of the mercury electrode. The formation of Hg-CA complexes is connected to mercury disproportionation, as reflected in peaks SII and SI at potentials higher than the electrode potential of zero charge (p.z.c.). Both the process of chemisorption of CA and its consequent redox transformation are proton-dependent. Also, depending on the protonation of CA, the formation of typical populations of chemisorbed conformers can be observed. In addition, cystamine (CA disulfide dimer) can be reduced on the mercury surface. Between the potentials of this reduction and peak SI, the p.z.c. of the electrode used can be found. Furthermore, CA can serve as an LMW catalyst for hydrogen evolution. The mechanistic insights presented here can be used for follow-up research on CA chemisorption and targeted modification of other metallic surfaces.

In Situ Synthesis of NH2-MIL-53-Al/PAN Nanofibers for Removal Co(II) through an Electrospinning Process.

In this study, researchers developed a novel composite material called NH2-MIL-53-Al/PAN, which consists of metal-organic frameworks (MOFs) grown on electrospun PAN nanofibers (NFs). The successful formation of the composite was confirmed by X-ray diffraction (XRD) and Fourier transform infrared (FTIR), and the hydrophilicity of NH2-MIL-53-Al/PAN was demonstrated by the water contact angle (WCA). Batch experiments were conducted to investigate the adsorption performance of Co(II) under different conditions. The maximum adsorption capacity reached 58.72 mg/g, and almost 95% of the adsorption was achieved within the first 6 h. The adsorption process was found to be spontaneous and endothermic and followed the pseudo-second-order kinetics and Langmuir models. Chemisorption and molecular layer adsorption are the main mechanisms of adsorption, and X-ray photoelectron spectroscopy (XPS) analysis further reveals that the interaction between the adsorbent and cobalt is a coordination interaction. In this study, NH2-MIL-53-Al was grown in situ on PAN to ensure effective loading of MOFs and prevent agglomeration during the NF mixing process. This approach successfully addressed the challenge of exposing active sites within the embedded MOF crystals. Additionally, it overcame the difficulty of recycling traditional MOF adsorbents. As a result, the exceptional performance of MOF NFs offers a promising solution for the efficient removal of cobalt-containing wastewater.

Green synthesis of 2-hydroxypropyl-β-cyclodextrin polymers crosslinked by citric acid for highly efficient removal of methylene blue

Herein, a new type of citric-acid-crosslinked 2-hydroxypropyl-β-cyclodextrin (HPCD-CA) adsorbents were synthesized, and their applications to the removal of the cationic dye—methylene blue (MB) from the water were thoroughly investigated. The HPCD-CA materials were fully characterized and analyzed by SEM, FT-IR, XRD, TGA, BET and XPS. Influence factors affecting the adsorption efficiency of the HPCD-CA materials were investigated separately, including contact time, adsorbent dosage, the concentration of MB, initial pH of the solution, and temperature. The Langmuir adsorption isotherm and pseudo-second-order kinetic model performed better, indicating that the adsorption process is more consistent with chemisorption and monomolecular layer adsorption. The maximum theoretical absorption capacity of HPCD-CA-0.25 for MB was 497.72 mg g−1, much better than most of the previously reported materials. After four adsorption-desorption cycles, HPCD-CA-0.25 maintained a high removal efficiency of MB with good recoverability and stability. In addition, FT-IR and XPS analyses showed that electrostatic interaction, host-guest and hydrogen bonding interactions existed between HPCD-CA-0.25 and MB. Density functional theory (DFT) calculations further verified the above adsorption mechanism, indicating that the synergistic interaction between CA and HPCD enhanced the removal ability of MB by HPCD-CA-0.25. We believe that the current study here provides a feasible way to design wastewater treatment purification materials.

Adsorption, surface reactions and hydrodeoxygenation of acetic acid on platinum and nickel catalysts

Acetic acid adsorption and surface reactions were studied on Pt(111) and Ni(110) with infrared reflection–absorption spectroscopy (IRAS) and temperature programmed desorption as well as computationally on the same well-defined single-crystal surfaces with density functional theory calculations. Additional calculations were performed for Ni(111) for comparison with Pt(111). At high acetic acid exposures at the dosing temperature of 90 K, acetic acid forms a chemisorbed layer covered by a physisorbed multilayer. The chemisorbed layer at 90 K for both Pt and Ni contains a mixture of molecularly adsorbed acetic acid as well as acetate. The physisorbed multilayer desorbs at 157–172 K. At 200 K, while a mixture of molecular acetic acid and acetate remains on Pt(111), acetic acid almost completely decomposes into acetate and, furthermore, produces some CO on Ni(110). Due to the almost complete decomposition of acetic acid on Ni at 200 K, only a small fraction of the chemisorbed acetic acid desorbs molecularly at 220 K. Unlike on Ni(110), most of the chemisorbed acetic acid desorbs molecularly from Pt(111) at a similar temperature of 218 K. Recombinative desorption of acetic acid is observed as a broad peak at 345 K for Pt(111) and as a tail peak at 220–300 K for Ni(110). At 450 K, the decomposition of acetic acid is almost complete on both metals. In contrast with acetic acid surface reactions where Ni is equally or even more reactive than Pt, a 1.5 wt % Ni/SiO2 catalyst is less active than a 5 wt % Pt/SiO2 catalyst in vapor-phase acetic acid hydrodeoxygenation at 473 and 573 K. Hydrogen temperature programmed reduction measurements for calcined catalysts show that Ni requires a higher temperature of 622 K for its reduction than 564 K for Pt. Therefore, the lower catalytic activity of Ni in hydrodeoxygenation can be attributed to the lower reducibility of Ni and not the differences in acetic acid adsorption or surface reactions.

Two Steady-State Adsorption Modes of Phosphonic Acids on Aluminum Surfaces.

The phosphonic acid (PA) surface treatment on various metal substrates is of high industrial relevance, and the PA molecular structure significantly affects its quality. In this work, systematic variation of the PA molecular steric and electron environment helps discern two steady-state adsorption modes on an aluminum surface. The PA molecular structure was varied systematically, which included inorganic phosphorus acid, alkyl phosphonic acids, and phenyl phosphonic acids. To explore their in situ dynamics of adsorption/desorption on the electrochemically unstable aluminum, techniques such as electrochemical impedance spectroscopy and inductively coupled plasma optical emission spectrometry were employed. A range of different types of interfacial layers are formed on the aluminum surface, namely, from the dissolution-limiting physisorbed layer to a quasi-inhibiting chemisorbed layer on the aluminum surface in acidic (pH ≈ 2.2) solution. Presented findings establish the dynamic steady-state nature of this type of interface. They reveal fundamental relationships among adsorbent steric or electronic effects, the steady-state interface morphology, and the steady-state aluminum dissolution rate. The study brings also a more differentiated molecular structure-related description of the aluminum dissolution inhibition of PAs and relates it to molecular density functional theory calculations.

Synthesis and characterization of magnetic organic montmorillonite: efficient adsorption of hexavalent chromium.

This research compared two potential adsorbents for the efficient adsorption of toxic hexavalent chromium. The non-magnetic material STAC-Mt and the magnetic material FeSO4-STAC-Mt were synthesized by a simple impregnation method using montmorillonite (Mt), octadearyl dimethyl ammonium chloride (STAC) and ferrous sulfate as raw materials. The structural and morphological characteristics of both adsorbents were investigated by BET, XRD, FTIR, Zeta, VSM, TEM, SEM and XPS techniques. SEM and TEM results clearly revealed that FeSO4-STAC-Mt had a more loosely curled structure than STAC-Mt and the existence of well dispersed diamond-shaped magnetic particles. The saturation magnetization intensity of 17.949 emu/g obtained by VSM further confirmed the presence of magnetite particles in FeSO4-STAC-Mt. Due to the superparamagnetic properties of magnetite, the adsorption performance of FeSO4-STAC-Mt was better than STAC-Mt. FeSO4-STAC-Mt adsorbed up to 43.98 mg/g of Cr(VI), meanwhile it was easily separated from the reaction mixture by an external magnetic field. Intermittent adsorption studies at pH, adsorbent dosage and time revealed a rapid Cr(VI) adsorption process. In combination with response surface optimization analysis, a removal rate of 98.03% of Cr(VI) was obtained at pH 5-6. The adsorption process was properly described by the pseudo-second-order kinetic equation and the Langmuir equation, and the adsorption process was chemisorption and single molecular layer adsorption. In addition, the removal of Cr(VI) reached 72.68% after five cycles, demonstrating the good stability of the FeSO4-STAC-Mt.

Enhanced superlubricity on a-C films by lubrication with 3-hydroxypropionic acid

In this work, the macroscopic superlubricity with an extremely low coefficient of friction (COF) of 0.004 was achieved on the friction pair of the steel/amorphous carbon (a-C) film with the lubrication of 3-hydroxypropionic acid aqueous solution (3HPA(aq)). The excellent lubrication performance was ascribed to the solid-liquid synergistic lubrication effect between the a-C film and the 3HPA. The triboreaction occurred on the friction pair, resulting in the chemisorption of 3HPA molecules on the a-C film and the steel surface. The hydrated water layer was formed on the chemisorption layer through the hydrogen bonding with water, which contributed to the reduction of COF. Moreover, the feasible graphitization of the a-C film also played an important role on the achievement of superlubricity. This work presented a novel approach for achieving superlubricity on the diamond-like carbon (DLC) and provided support on the development of DLC lubrication in industrial applications.

Performance of dodecyl dimethyl benzyl ammonium chloride as bactericide and corrosion inhibitor for 7B04 aluminum alloy in an aircraft fuel system

In this study, the broad-spectrum antimicrobial property of dodecyl dimethyl benzyl ammonium chloride (DDBAC) was investigated against three species of bacteria, Lysinibacillus sphaericus ( L. sphaericus ), Acinetobacter lwoffii ( A. lwoffii ), and Sediminibacterium salmoneum ( S. salmoneum ) isolated and purified from a naval aircraft fuel system. Through the inhibition zone method and minimum inhibitory concentration test, DDBAC was found to have a good antimicrobial performance with a minimum inhibitory concentration of 64 mg/L. The influence of DDBAC on the corrosion behavior of fuel tank material was evaluated by electrochemical measurements, such as polarization curve and electrochemical impedance spectroscopy (EIS). The polarization curve indicated that DDBAC suppressed anodic and cathodic reactions as a mixed-type corrosion inhibitor, and the inhibition efficiency was 68.38% at the concentration of 80 mg/L after 28 days of immersion. The EIS results showed that DDBAC inhibited the corrosion of 7B04 aluminum alloy in the concentration range of 40–120 mg/L. The DDBAC adsorption on the aluminum alloy surface was in agreement with the modified Langmuir adsorption isotherm model. The quantum chemical calculations proved that a lone pair of electrons of nitrogen atoms in DDBAC were able to form coordinate bonds with the empty orbital in aluminum, resulting in a tight chemisorption layer on the aluminum alloy surface and corrosion inhibition.

The Role of Benzotriazole in Electrodeposition of Cu1−xNix Alloys (0.05 < x < 0.15) on Cu and Ni Substrates

We investigated the benzotriazole enabled growth of low Ni content (5–15 at.%) CuNi alloy deposits by characterisation of its morphology and elemental composition as a function of substrate metal (Cu and Ni), charge density, current density, and potential-time response measured during electrodeposition. Alloy deposition starts in favor of Cu, forming a Cu-rich layer on a Ni substrate and Cu-rich islands on a Cu substrate after which aggregates only form on a Cu substrate, due to the ability of benzotriazole (BTAH) to chemically bond to Cu but not to a Ni surface. Furthermore, Ni deposits preferably on grain boundaries, BTAH gets incorporated in the deposit and forms a thin layer between the Cu substrate and the alloy deposit. Based on our findings a growth model for BTAH enabled CuNi growth is proposed which describes that the BTAH working mechanism is twofold. First, the additive shifts the onset potential of Cu2+ reduction closer to the Ni2+ reduction potential by forming a chemisorbed BTAH layer, thereby enabling Cu and Ni co-deposition and, secondly, during deposition it specifically interacts with Cu, thus inhibiting Cu dendrite formation.

Исследование пропаргиловых эфиров аминометилированных алкенилфенолов в качестве ингибиторов коррозии черных металлов

. The article presents the results of studies on the evaluation of the adsorption properties of three aromatic compounds containing simultaneously several active centers in the structures - fragments with double and triple bonds and an aminomethyl group: 1-propenyl-2-propargyloxy-3-diethylaminomethylbenzene (I), 1-allyl- 2-propargyloxy-3-diethylaminomethylbenzene (II) and 1-allyl-2-propargyloxy-3-morphoaminomethylbenzene (III). Based on the data of gravimetric studies, the adsorption-desorption constants (Kads), as well as the adsorption energy (Gads) were calculated, confirming the mechanism for protecting the steel surface from acid corrosion by forming chemisorbed adsorption layers on it.

Increasing the Adherence of Metallic Copper to the Surface of Titanium Hydride

Studies have been carried out to increase the adhesive interaction between a titanium hydride substrate and a copper coating. An additional layer containing chemically active groups was created on the surface of the spherical titanium hydride by chemisorption modification. This paper discusses the results of scanning electron microscopy (SEM) using energy-dispersive X-ray spectroscopic mapping of coatings obtained on spherical granules of titanium hydride before and after adsorption modification. The mechanism of interaction of the surface of spherical granules of titanium hydride and titanium sulfate salt is proposed. It is shown that the creation of a chemisorbed layer of hydroxotitanyl and the subsequent electrodeposition of metallic copper contribute to the formation of a multilayer shell of a titanium–copper coating on the surface of spherical titanium hydride granules (≡Ti-O-Cu-) with a high adhesive interaction. Results have been given for an experimental study of the thermal stability of the initial spherical granules of titanium hydride and granules coated with a multilayer titanium-copper shell.

Mechanistic insights of hexavalent chromium remediation by halloysite-supported copper nanoclusters

Chromium (Cr) pollution is a significant environmental concern with remediation challenge. Hexavalent chromium (Cr(VI)) is more toxic than trivalent chromium (Cr(III)) due to its mutagenicity and oncogenicity. In this investigation, a multi-functional material, copper nanoclusters (CuNCs)-halloysite nanotubes (HNT) composite (CuNCs@HNT), has been synthesised in an eco-friendly manner and utilised for Cr(VI) remediation. Advanced analytical tools confirmed the seeding of ultra-fine CuNCs onto HNT surfaces. The maximum adsorption capacity of CuNCs@HNT is 79.14 ± 6.99 mg/g at pH 5 ± 0.1 with an increment at lower pHs. This performance was comparable for real surface stream water as well as other reported materials. The pseudo-second-order kinetic-, intra-particle diffusion- and Freundlich isotherm models well fit the experimental data implying that the chemisorption, multiphase diffusion and multi-molecular layer distribution occurred during adsorption. The Fourier-transform infrared and the x-ray photoelectron spectra also ensured the transformation of Cr(VI) to Cr(III) indicating the material's suitability for concurrent adsorption and reduction of Cr(VI). While coexisting cations and anions did not overwhelm this adsorption, CuNCs@HNT was regenerated and reused five successive times in adsorption-desorption cycles without significant loss of adsorption capacity and material’s integrity. Therefore, this multi-functional, biocompatible, low-cost and stable CuNCs@HNT composite may have practical application for similar toxic metals remediation.

Model Catalytic Studies of the LOHC System 2,2′-Bipiperidine/2,2′-Bipyridine on Ni(111)

N-heterocyclic compounds such as octahydroindole and dodecahydro-N-ethylcarbazole have been proposed as suitable liquid organic hydrogen carriers for chemical hydrogen storage. Following these studies, we focused on hydrogen-rich 2,2′-bipiperidine with a hydrogen storage capacity of 7.1 wt % and hydrogen-lean 2,2′-bipyridine. Both were adsorbed on Ni(111), and the temperature-induced reaction mechanism and decomposition were studied. The reaction was investigated using synchrotron-based XPS, NEXAFS, and TPD experiments. Upon adsorption, the formation of a flat-lying chemisorbed layer is observed. Above 370 K, 2,2′-bipyridine is dehydrogenated in the α-position to the nitrogen atoms to form an α-2,2′-bipyridyl species with a tilted adsorption geometry. The hydrogen-rich 2,2′-bipiperidine is partially dehydrogenated above 180 K and deprotonated at the nitrogen atoms above 250 K. Above 320 K, α-2,2′-bipyridyl is formed, which is accompanied by a byproduct that is partially dehydrogenated at the carbon atoms. Above 400 K, we observe the decomposition of the α-2,2′-bipyridyl species.

Pitting mechanism of mild steel in marginally sour environments – Part II: Pit initiation based on the oxidation of the chemisorbed iron sulfide layers

The role of trace concentrations of O2 (ca. 20 ppb(w)) relating to pitting in marginally sour environments was investigated in this work. Laboratory experiments were conducted with X65 mild steel specimens at pH 5.00 ± 0.01, 30 °C, 0.97 bar CO2 and 0.04 mbar H2S with/without O2 for up to 7 days. Acquired corrosion rate, the composition of the corrosion product layer, and surface profile after the layer was removed were compared. As a result, only H2S chemisorption layer was formed without oxygen; this layer could be partially compromised when [O2]aq > 3 ppb(w), leading to pitting initiation.

Chemisorption and Physisorption of Water Vapors on the Surface of Lithium-Substituted Cobalt Ferrite Nanoparticles.

Ferrimagnetic materials have the assembly of n-type porous semiconductors that shows the evidence of several physical properties used in electronic devices and technology. If the water vapors are brought closer to the surface of n-type semiconductors, then the electrons near the surface of materials are transferred from the conduction band to the electron-accepting level of the water molecule that provides chemisorbed layer of OH– ions. The conduction of electrons takes place only when H3O+ releases one proton to the nearest water molecule that accepts electrons while releasing another proton and so on. This mechanism is known as the Grotthuss chain reaction; it is the essential conduction mechanism of water and surface layers of water on the humidity-sensitive semiconducting materials. In this article, the humidity-sensing properties of Li-substituted cobalt ferrite nanoparticles prepared by the solution combustion method are reported. The result of the data suggested that the substitution of Li ions improved the formation of smaller grains of cobalt ferrite, which results in a rise within the surface area and improved the humidity sensitivity of ferrite nanoparticles.

Enhanced selectivity of atomic layer deposited Ru thin films through the discrete feeding of aminosilane inhibitor molecules

Area-selective atomic layer deposition has attracted considerable interest as a means for enabling versatile fabrication of selectively formed thin films in both vertical and lateral direction in extremely downscaled 3D semiconductor devices. Herein, we report a methodology for an enhanced selectivity ALD process with a discrete feeding method (DFM), capable of improving the chemisorption density of small alkylating agents onto desired substrates. Using the DFM strategy of (N, N-diethylamino)trimethylsilane as an aminosilane inhibitor to render surface alkyl groups, we explored its efficacy with regard to improving its blocking capability against subsequent Ru ALD on various substrates such as Si, SiO2, and SiN substrates to provide H-, OH-, and NHx-terminated surface groups, respectively. As a result, a denser chemisorption layer could be selectively obtained on OH-terminated SiO2 and NH-terminated SiN but not on H-terminated Si, which in turn led to significant growth retardation on both SiO2 and SiN during Ru ALD. Adding a process sequence composed of intermittent Ru etching followed by DFM retreatment on both SiO2 and SiN allowed for selective removal of Ru moieties and restoration of inhibitory alkyl groups. In this way, we finally achieved enhanced deposition selectivity with a combination of sequential DFM and Ru ALD-etch supercycles.

Molecular self-assembly of novel amphiphilic topological hyperbranched polymers for super protection of copper in extremely aggressive acid solution

Novel topological hyperbranched polymers (THPs) with large polymer molecular weight and narrow polydispersities are synthesized in this study by using 1,3,5-tri(methyl bromide)-benzene and phenylmethyl-linked bisimidazole or triimidazole as the starting monomers. The results show that the THPs can process regular molecular assembly in mixed ethanol/sulfuric acid aqueous solution. The sizes and morphologies of the THPs aggregates are shown dependence on the assembly concentrations and aggregation evolution time. The Cu(I)-N chemical bonding formed by the THPs assemblies and copper ions is demonstrated by the comprehensive surface analysis, and the bonding makes the primary contribution to produce chemisorption layer on copper substrate. The electrochemical measurements reveal the super copper corrosion inhibition capability of the robust THPs assemblies protective layers in sulfuric acid solution. In addition, the effects of corrosion temperature on corrosion resistance, the kinetic parameters and the Langmuir isotherms indicate the possible presence of physisorption. The adsorption process of THPs aggregates on copper surface is further understood by the molecular modeling and the molecular dynamics simulation. The gained results in this study could provide a new thought of designing and synthesizing benign and effective polymer materials for anti-corrosion copper in harsh aggressive acid media.