Barrier Film Research Articles

Crosslinking and densification by plasma-enhanced molecular layer deposition for hermetic seal of flexible perovskite solar cells

Flexible perovskite solar cells are new energy devices with a promising future due to their numerous advantages, such as high defect tolerance, strong solar absorption and low non-radiative carrier recombination rates. However, their operational stability is still an ongoing challenge during upgrading, and their inferior moisture corrosion resistance is still a major issue for better performances. Thin-film encapsulation could effectively enhance the operational stability of perovskite solar cells but obtaining encapsulation films with excellent barrier performance always come at the expense of poor flexibility. Therefore, the development of novel encapsulation materials with both barrier performance and flexibility is urgent for the compatibility of flexible applications. In this work, "Plasma-Enhanced Molecular Layer Deposition" was used for the first time to prepare a highly cross-linked, densified flexible encapsulation material AlOC at 40 ℃ to break through the traditional technology. The resulting encapsulation material can be applied to flexible perovskite solar cells as a barrier film without any damage. The as-obtained encapsulation film exhibited a water vapor transmittance rate of 1.44 × 10−5 g m−2 day−1 and preserved 95 % of its initial barrier performance after 10,000 bends with a 3 mm bend radius. Such performance was the best among the reported thin-film encapsulation layers of flexible perovskite solar cells.

The impact of heat‐moisture treatment and pre‐gelatinization on functional, mechanical, and barrier properties of basmati rice starch films

Background and Objectives This study investigated the effect of heat-moisture treatment (HMT) and pre-gelatinization (PG) on the physical, mechanical, barrier, and optical features of films based on starch extracted from the Pakistani well-known variety “Basmati rice.” The thermal disintegration of granules was indicated by Scanning Electron Micrographs for HMT film. Findings The results of the study showed that the solubility of films in water was reduced in the following sequence: Pre-gelatinized rice starch film (33.66%) > Native rice starch (NRS) film (30.42%) > Heat moisture-treated rice starch (HMTRS) film (26.90%). The lowest water-soluble HMTRS film showed increased water transfer resistance and both treatments (HMT and PG) reduced water vapor permeability values of NRS from 2.49 × 10−10 to 1.25 × 10−10 g−1 s−1 Pa−1 and 1.34 × 10−10 g−1 s−1 Pa−1, respectively. Conclusions HMT induced structural deviations that impact higher changes in color parameters and reduced transparency while both modified films had higher elongation at break than NRS films, but PG films had lower TS as compared to the HMT and NRS films. Significance and Novelty The lower water vapor permeability of HMT films makes them suitable for packaging moisture-sensitive food products, while PG films can find use in the packaging of products that are sensitive to light.

The effectiveness of a hydrocolloid crusting method versus standard care in the treatment of incontinence-associated dermatitis among adult patients in an acute care setting: A randomised controlled trial

IntroductionIncontinence-associated dermatitis (IAD) is a type of irritant contact dermatitis due to prolonged exposure of the skin to moisture induced by urine or/and faeces. The main principles when treating IAD involves protecting the skin from further exposure to irritants, establishing a healing environment, and eradicating skin infections. This study aimed to evaluate the effectiveness of the hydrocolloid crusting method (HCM) versus the standard care method (SCM) in treating IAD. MethodA randomised controlled trial was conducted in an acute tertiary hospital in Singapore between August 2019 to September 2021. Using computer-generated numbers, patients were randomised into either HCM or SCM treatment groups. HCM treatment involved cleansing the affected area with a pH-neutral non-rinse moisturising cleanser, and the application of alternate layers of hydrocolloid powder, and non-sting film barrier spray (repeated three times during each use). Patients in the SCM treatment group received the same cleanser followed by a 30% zinc oxide barrier cream. IAD was assessed daily for up to seven days by the wound care nurses using the IAD severity tool. The primary outcome of the study was the mean difference in IAD score per day between both methods. ResultsForty-four patients were eligible and recruited (22 in HCM; 22 in SCM). Patients in both groups were comparable in age and gender. IAD Category 2 was more predominant in both methods. The most common location of IAD was at the perianal skin and diarrhea related to gastroenteritis was the most prevalent cause of IAD. More patients in the SCM group (n = 12; 54.5%) had their IAD healed within seven days compared to HCM, (n = 7; 31.8%) group. However, the average decrease in IAD scores per day for both methods were found to be similar. ConclusionHCM can be considered as a treatment of IAD along with the use of SCM. A skin care regimen should include effective cleansing, skin protection, and moisturization in IAD management.

Improving the Characteristics of Edible Film Using Modified Cassava Starch Over Ethanol Precipitation

Cassava starch has been widely explored as film forming material, however its hydrophilicity restricts its application. Hydrophobic material such as modified starch can be used in the film elaboration to improve its quality. This study aims to examine the effect of modified cassava starch concentration on the physical, barrier, and mechanical properties of edible films. A completely randomized design was used with 5 concentrations of modified starch at 0%, 5%, 10%, 15%, and 20% and 4 repetitions to obtain a total of 20 experimental combinations. The ANOVA showed that the modified starch concentration affected the compressive strength, thickness, transparency, and solubility of the edible film, but has no effect on its water vapor transmission rate (WVTR). Usage of 20% modified starch gave the product with the best characteristics at 0.22 mm thickness, 89.45 N/m2 strength, 6.484%/mm transparency, 52.19% solubility, and 21.00 g/m2.hour WVTR.

Mechanical and surface properties of corona‐treated titanium dioxide‐embedded opaque white low‐density/Linear low‐density polyethylene film

AbstractThis study encompasses the characterization of corona‐treated milky white co‐extruded polyethylene films. The surface energies developed at various applied voltages were investigated by standard wetting (dyne) solutions of binary liquid mixtures. A maximum treatment of 40 dynes/cm was achieved at 3.0 kW of the applied load. Maximum heat seal joint strength of 1.05 kN/m was achieved only when an untreated/untreated surface combination was sealed, while a treated/treated surface combination exhibited the minimum heat seal joint strength of 0.98 kN/m. Standard Scotch tape method was employed for testing peel adhesion. An applied load of more than 3.0 kW shows a decreasing trend in surface energy. The coefficient of friction on the treated surface was also investigated. Aging under different environmental conditions had hardly any impact on the treatment levels within the time period under study. A sufficiently opaque (Opacity—99%) white film at Titanium dioxide (TiO2) loading of 7.5% resulted in a very good barrier film.

Effects of argon dielectric barrier discharge (DBD) cold plasma treatment on mechanical, barrier and antimicrobial properties of chitosan film

SummaryThis research studied the effects of argon dielectric barrier discharge (DBD) plasma on properties of chitosan film to be used as active food packaging. The effects of plasma treatment time (0, 30, 60, 90 and 120 s) on tensile strength (TS), elongation at break (EAB), colour, water vapour permeability (WVP), oxygen transmission rate (OTR), contact angle and antimicrobial activity of films were investigated. Depending on the plasma treatment time, the TS values of plasma‐treated film increased, but there were no significant differences between the EAB of control and treated films. The formation of the oxygen‐containing groups and the occurrence of etching affected the WVP, contact angle, roughness and antimicrobial activity of plasma‐treated film. Chitosan film treated with 60 s of DBD plasma had good OTR (<0.05 cc m−2 day−1), hydrophilicity and antimicrobial activity against various kinds of bacteria. However, it may need longer than 60 s of the treatment time to increase the WVP of the films. Overall, these results implied that plasma treatment can be used as an alternative non‐thermal approach for improving the characteristics of film packaging.

Promising nanocomposites for food packaging based on cellulose – PCL films reinforced by using ZnO nanoparticles in an ionic liquid

The fact that most composites consist of polluting synthetic materials has prompted a search for biodegradable replacements based on cellulose fibers and polycaprolactone as potential packaging materials. In this work, we developed a green, efficient approach to rendering hydrophobic polycaprolactone (PCL) compatible with hydrophilic cellulose fibers by using an ionic liquid as a nanowelding agent in the presence of zinc oxide nanoparticles (ZnONPs). Transparent biobased nanocomposite films were thus directly obtained by in situ ring-opening polymerization (ROP) of ε-caprolactone (CL) monomers onto the dissolved cellulose matrix by using the ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM]Ac). [EMIM]Ac and ZnONPs were efficiently catalyzed ε-caprolactone ROP under mild conditions. Cellulose-grafted PCL nanocomposite films were obtained by adding variable amounts of CL and ZnONPs to the cellulose matrix. The maximum grafting of 40% was achieved by using 5▒wt% ZnONPs and 70% CL. FTIR spectra confirmed the presence of PCL in the nanocomposites. Also, FE-SEM revealed uniform dispersion of ZnONPs and PCL in the regenerated cellulose matrix, and trapping of nanoparticles in nanofibrils after the cellulose matrix was regenerated. X-ray diffraction (XRD) spectra showed a decreased apparent crystallinity and crystallite size. The XRD results also confirmed that the crystal properties of the nanocomposite films and an all-cellulose composite (ACC) were almost identical. The mechanical, barrier and optical properties of the nanocomposite films were significantly better than those of the ACC film by effect of the incorporation of ZnONPs and PCL especially with 5▒wt% ZnONPs and 70% CL). The nanocomposite films exhibited acceptable antioxidant activity and UV-light barrier properties, so they hold promise for used in food packaging. Nanocomposite films are in fact multifunctional materials with the potential for use in cellulose-based food packaging by virtue of their being transparent and bio-based, and possessing very good water vapor and oxygen barrier properties.

Starch-based environment friendly, edible and antimicrobial films reinforced with medicinal plants.

In the current study, cornstarch-based antimicrobial and edible films were designed using solution-casting methods. The medicinal plants (Acontium heterophyllum, Artemisia annua, and Thymus serpyllum) reinforced the gelatinized solution in different concentrations as fillers. The effect of plant extracts on antimicrobial and antioxidant potential, microstructure, barrier, thermal and mechanical properties of cornstarch-based films (SBFs) was investigated using antimicrobial activity, DPPH free radical scavenging values, scanning electron microscopy, X-ray diffraction, water vapor transmission rate, differential scanning calorimetry, and tensile strength. Likewise, it was depicted that the geometric and crystalline structures of medicinal plants' reinforced films remained the same even after processing. The mechanical tests indicated that the plant extracts effects are associated with reduced elongation, increasing tensile strength, and Young's modulus. Morphological analysis revealed the generation of uniform and the compact surfaces. However, films with 10% concentration of plant extracts have the lowest water vapor permeability values, and emerged better barrier properties. Moreover, these films showed the significant antioxidant potential and antimicrobial activity.

Novel ammonia-responsive carboxymethyl cellulose/Co-MOF multifunctional films for real-time visual monitoring of seafood freshness

Nowadays, ammonia-responsive biopolymer-based intelligent active films are of great interest for their huge potential in maintaining and monitoring the freshness of seafood. However, it is still a challenge to create biopolymer-based intelligent active films with favorable color stability, antibacterial and visual freshness indication functions. Herein, cobalt-based metal-organic framework (Co-MOF) nanosheets with ammonia-sensitive and antibacterial functions were successfully synthesized and then embedded into carboxymethyl cellulose (CMC) matrix to develop high performance and multifunctional CMC-based intelligent active films. The influence of Co-MOF addition on the structure, physical and functional characters of CMC film was comprehensively studied. The results showed that the Co-MOF nanofillers were homogeneously embedded within the CMC matrix, bringing about remarkable promotion on tensile strength (from 45.3 to 62.2 MPa), toughness (from 0.7 to 2.3 MJ/m3), water barrier and UV-blocking performance of CMC film. Notably, the obtained CMC/Co-MOF nanocomposite films also presented excellent long-term color stability, antibacterial activity (with the bacteriostatic efficiency of 99.6 % and 99.3 % against Escherichia coli and Staphylococcus aureus), and ammonia-sensitive discoloration performance. Finally, the CMC/Co-MOF nanocomposite films were successfully applied for real-time visual monitoring of shrimp freshness. The above results demonstrate that the CMC/Co-MOF nanocomposite films possess huge potential applications in intelligent active packaging.

Design of organic/inorganic multilayer water vapor barrier thin films deposited via plasma polymerization for encapsulation

Plasma-enhanced chemical vapor deposition was used to deposit organic/inorganic encapsulation thin films on polyethylene terephthalate (PET) substrates by controlling the flow rate of oxygen (O2) and hexamethyldisiloxane. The control of gas flow can deposit different film structures such as a network structure of inorganic thin films and linear and cage-like structures of organic thin films, which are stacked on one another to form a multilayer water vapor barrier film. A calcium (Ca) test was established to measure the WVTR of thin films with a measurement limit of 3.05 × 10−3 g/m2/day. Surface profilometry, ultraviolet–visible spectrometry, and radius of curvature are applied to analyze the physical and optical properties. By depositing different monolayer film thicknesses on the PET, the encapsulation capability also varies. The WVTR of 3-pair (sub/buffer (50 nm)/barrier (100 nm)) multilayer thin films is 7.05 × 10–3 g/m2/day, but that of the 6-pair (sub/buffer (25 nm)/barrier (50 nm)) multilayer thin films decreased to less than the limit of the Ca test after the thickness of the monolayer was reduced. In the case of stacking 4-pair (sub/buffer (50 nm)/barrier (100 nm)) multilayer thin films, the single-layer film is too thick to withstand bending with a curvature radius of 24.3 mm, which may cause film cracks and increase its WVTR. After thinning the thickness of the single-layer, the 8-pair (sub/buffer (25 nm)/barrier (50 nm)) stack with the same total thickness withstands a curvature radius of 24.3 mm, and its WVTR also exceeds the limit of the established Ca test.

A Clinical Evaluation of Advanced Barrier Film upon Prevention of Medical Adhesive Related Skin Injury among Children in Apollo Children?s Hospital, Chennai

A Clinical Evaluation of Advanced Barrier Film upon Prevention of Medical Adhesive Related Skin Injury among Children in Apollo Children?s Hospital, Chennai

Efficient preparation of hydrogen barrier films by ultrasonic‐assisted layer‐by‐layer assembly

AbstractGraphene oxide (GO) can be self‐assembled with various polymer materials layer by layer to prepare composite materials with excellent barrier properties. However, the process is cumbersome and time‐consuming. In this article, GO/polyethyleneimine(PEI) hydrogen barrier films were successfully prepared by ultrasonic‐assisted layer‐by‐layer self‐assembly technology. Results show that the ultrasonic‐assisted method not only reduced the immersion time from several minutes to 10 s, but also increased the density of the material packing to reduce the channels through which hydrogen molecules can diffuse while improving the horizontal orientation of the GO sheet to prolong the diffusion paths of gas molecules. Finally, the hydrogen transmission rate of 20‐bilayer films assembled under ultrasonic conditions is equivalent to that of 30‐bilayer films assembled without ultrasonic conditions, which greatly shortens the film‐making period. Therefore, the ultrasonic‐assisted method has a good prospect in the preparation of gas barrier films.

A film-linked electrostatic self-assembly microfluidic chip.

This article proposes a film-linked electrostatic self-assembly microfluidic chip for the first time, designed to be ready-to-use. Barrier films are used to isolate the gas/liquid path microchannels and the pre-stored reagents of the chip before use. Through the linkage design between the film materials, the motion of barrier films is linked to the structural changes inside the chip. Under the combined action of the rebound force of the elastic substrate, the electrostatic adsorption force between the substrates, and the reaction force of the elastic film, the elastic substrate and the liquid storage substrate are instantly bonded, and the self-assembly of the chip is completed within 1 s. By using six independently output programmable sequences to perform the sequential quantitative pumping of pre-stored reagents, the transfer and mixing of samples and pre-stored reagents are automatically driven in a confined space, which greatly reduces the contamination risk and loss rate of samples/reagents, and improves the accuracy and reproducibility of test results. In addition, the microfluidic multi-step reaction driven in parallel can avoid liquid reflux, accurately control the amount of reactant transfer, and realize the quantitative detection of samples. Multiple reactions can be performed synchronously without interference, saving the test time. Since each gas path is independently controllable, the chip can be extended to a variety of biochemical reactions and has the potential to detect a variety of substances.

Improving barrier and antibacterial properties of chitosan composite films by incorporating lignin nanoparticles and acylated soy protein isolate nanogel

Chitosan (CS) films have demonstrated strong antibacterial properties, excellent biocompatibility and biodegradability, but poor UV blocking, oxygen and water barrier and mechanical properties limit their application in antimicrobial food packaging. In this study, CS films were incorporated with nanofillers, including lignin nanoparticles (LNP, 1–5 wt %) and acylated soy protein isolate nanogel (ASPNG, 3–7 wt %) to improve their tensile strength, oxygen and water barrier, UV blocking and antibacterial properties. SEM images illustrated that the addition of LNP and ASPNG significantly affected the surface morphology of the CS film. Meanwhile, LNP incorporation improved UV blocking property of composite film, while an improved sustained antibacterial property was achieved with ASPNG incorporation. Interestingly, CS composite film incorporated with 3% LNP and 5% ASPNG showed a remarkable increase in tensile strength (37.29–54.29 MPa) and decreased oxygen barrier property (5.73–2.83 cm 3 /m 2 ·24h MPa) relative to pure CS film. It is worth mentioning that the bacterial counts in samples treated by 3% LNP/5% ASPNG-CS composite film decreased approximately 2.37 log CFU/mL, which exhibited higher antibacterial activity than other composite films. However, this study also demonstrated that incorporation of LNP and ASPNG slightly decreased the light transmission and increased surface roughness of CS film. All in all, the CS composite film with enhanced mechanical, barriers, antibacterial properties were obtained by incorporating an appropriate proportion of LNP and ASPNG and could further be utilized as a promising antibacterial food packaging material. • Lignin nanoparticles (LNP) and acylated soy protein isolate nanogel (ASPNG) were fabricated. • LNP and ASPNG incorporation improved tensile strength and elongation at break of the film. • LNP and ASPNG incorporation improved oxygen and water vapor barrier properties of the film. • 3% LNP/5% ASPNG enhanced CS film's potassium sorbate sustained release ability. • 3% LNP/5% ASPNG-CS film had higher antibacterial activity than pure chitosan film.

Development and characterization of antioxidant bilayer film based on poly lactic acid-bitter vetch (Vicia ervilia) seed protein incorporated with Pistacia terebinthus extract for active food packaging

This study focuses on designing an active bilayer food package film based on polylactic acid (PLA) and bitter vetch seed protein incorporated with Pistacia terebinthus extract (PTE). The effect of PTE on the physicochemical, barrier, structural, mechanical, and antioxidant properties of the active film was determined. Moisture content, water solubility, and water vapor permeability (WVP) of the active films indicated that the addition of PTE increased its suitability for food packaging. FE-SEM micrographs illustrated that the resulting films had a smooth and dense surface, describing a continuous network of protein molecules within the film structure. FTIR analysis displayed the physical interaction between PTE and the film polymer. XRD revealed an increase in the crystallinity of the active films. The resulting active film had a low migration rate (<7%) of phenolic compounds into fatty food simulant. Notably, the addition of PTE significantly (P ≤ 0.05) decreased the tensile strength and Young's modulus (from 15.13 and 315.98 MPa to 14.07 and 254.07 MPa, respectively). Concurrently, there was an increase in the elongation at break of the active films (from 23.19 to 75.60%), indicating higher flexibility compared to control films. Additionally, the incorporation of PTE improved the thermal properties of active films. The antioxidant capacity of the designed films was measured based on their DPPH radical scavenging activity, revealing that the antioxidant capacity of the control film increased from 44.65% to 59.72% in the active film containing 15% PTE. In conclusion, the prepared bilayer film can effectively be used as an active food package for sensitive foods to oxidation.

Study of mechanical degradation of freestanding ALD Al2O3 by a hygrothermal environment and a facile protective method for environmentally stable Al2O3: toward highly reliable wearable OLEDs.

Al2O3 deposited via atomic layer deposition (ALD) has been used as an insulating and barrier film for thin-film transistors, organic electronics, and microelectromechanical systems. However, ALD Al2O3 films are easily degraded by hydrolysis under harsh hygrothermal conditions, owing to their poor environmental stability. In this study, the mechanical properties and water-vapor transmission rate (WVTR) of environmentally degraded Al2O3 films were investigated by varying the temperature and relative humidity (RH). The hygrothermal environment led to surface and pinhole-concentrated degradation based on aluminum hydroxide, which caused an increased WVTR and reduced elongation of the films in harsher environments. In particular, the elongation of the degraded Al2O3 films was reduced to 0.3%, which is one-third of that of as-deposited Al2O3, and their WVTR increased on the order of 10-1 g m-2 day-1, which is more than 1000 times that of as-deposited Al2O3. Therefore, we introduced a functional silane-based inorganic-organic hybrid layer (silamer) onto the Al2O3 films to improve their environmental stability. The silamer helped preserve the characteristics of Al2O3 films by forming a strong and continuous aluminate phase of Al-O-Si at their interface in hygrothermal environments. Furthermore, the silamer-capped Al2O3 was shown to be an environmentally stable encapsulation for application in wearable organic devices.

Prospective, Case-Control Study Evaluating Effects of No-Sting Liquid Barrier Film on Skin Condition and Maturation of Stratum Corneum in Premature Neonates.

To assess effects of a no-sting liquid barrier film (NSLBF) on the skin condition and maturation of the stratum corneum in premature neonates. This was a prospective, case-control study with each subject serving as their own control. The sample comprised 33 neonates, between 23 and 32 weeks of gestational age (GA). Participants received care in a level 4 neonatal intensive care unit in the northeastern United States. Data were collected between May 2018 and May 2019. All participants had NSLBF applied to their left chest, left abdomen, and left anterior and posterior upper thigh. The right side was left untreated and served as self-control. Measurements of skin pH, hydration, transepidermal water loss (TEWL) and Neonatal Skin Condition Scores were obtained on both the untreated right and treated left sides of the body over a 14-day period on days 1, 3, 7, and 14. Worsening skin condition scores were observed on the treated side on days 7 and 14. There was an improvement in TEWL on the treated side, manifested as decrease in TEWL values. There was no difference in pH. At all points in time hydration was lower on the treated side. Worsening skin condition scores and hydration status on the treated side indicate an altered or delayed process of skin maturation. These findings suggest that no-sting liquid barrier (NSLB) application should be limited to skin under medical devices, dressings, tapes, and affected areas. In addition, we recommend allowing adequate intervals to allow physiologic stratum corneum maturation between applications of NSLB.

Investigation on Longer Service Life of Vacuum Insulation Panels by Applying Double Envelopes

The conversion of existing buildings to ZEB requires high thermal insulation. Vacuum insulation panels (VIPs) have a potential to be used for retrofitting thermal insulation of existing buildings from the viewpoint of low thermal conductivity, small thickness, and light weight. However, in order to realize vacuum insulation panels applicable to building insulation, it is necessary to overcome the challenge of maintaining the low pressure at which the high insulation performance can be achieved for several decades. The authors applied the double envelopes to VIPs and investigated longer service life of VIPs. The double envelope VIP is fabricated by fabricating a normal VIP, then wrapping the VIP with core materials, and then inserting it into the envelope for vacuum sealing. By applying the double envelopes, the pressure difference and the permeation of gas in inner VIP can be drastically reduced, resulting in a longer VIP lifetime. In this paper, the gas permeabilities of the gas barrier envelopes were experimentally estimated. Then, the pressure ageing in the double envelope VIP is calculated. The inner pressure after 25 years was 1.6 Pa for the envelope of aluminium composite film and 59.3 Pa for the envelope of transparent gas barrier film, indicating that long-term insulation performance could be improved. Next, the authors carried out acceleration test, in which the double envelope VIPs were put in a chamber at 80oC and remove once a month to measure the thermal conductivity. Even after 136 weeks, one sample showed only a 9.1% decrease in thermal resistance. From this result, it was confirmed that long-term insulation performance can be greatly improved by fabricating double envelope VIPs with the getter agent inside and the desiccant agent outside.

Prospective, Case-Control Study Evaluating Effects of No-Sting Liquid Barrier Film on Skin Condition and Maturation of Stratum Corneum in Premature Neonates.

Prospective, Case-Control Study Evaluating Effects of No-Sting Liquid Barrier Film on Skin Condition and Maturation of Stratum Corneum in Premature Neonates.

Comparative study of anti-ulcer drugs with benzimidazole ring as green corrosion inhibitors in acidic solution: Quantum chemical studies

The corrosion of metals in acidic environments is a grave concern, with the conventional use of commercial corrosion inhibitors leading to environmental toxicity. To address this issue, non-toxic, cost-effective drugs that have a minimal impact on the environment have the potential to replace traditional toxic inhibitors. This study aims to evaluate the molecular orbital properties of benzimidazole-containing drugs such as omeprazole, esomeprazole, and pantoprazole, through density functional theory (DFT), to assess their ability to act as corrosion inhibitors and explore their mechanism of inhibition. The study found that all three compounds have the ability to form a barrier film on the metal surface, with omeprazole being slightly more reactive than the others. Omeprazole and esomeprazole were found to be softer than pantoprazole, indicating that they are more reactive towards the metal surface. The study also found that the active sites of all compounds are located in the benzimidazole ring along with the methyl and methoxy groups. Additionally, the inhibitor molecules are adsorbed onto the metal surface through the active sites by transferring their electrons towards the metal surface. The adsorption energy calculation indicates that Omeprazole and Pantoprazole, with more negative adsorption free energy, exhibit superior corrosion inhibition ability compared to Pantoprazole. Overall, the study provides valuable insights into the potential use of these drugs as effective corrosion inhibitors.