Design and synthesis of biodegradable antiscalant based on MD simulation of antiscale mechanism: A case of itaconic acid-epoxysuccinate copolymer

Shi, Wenyan; Xu, Wei; Cang, Hui; Yan, Xiuhua; Shao, Rong; Zhang, Yuehua; Xia, Mingzhu

doi:10.1016/j.commatsci.2017.04.035

Cited by 29 publications

(11 citation statements)

References 21 publications

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“…These results differed from some previous studies [10,19,23,27,28,29] indicating that the main mechanism of antiscalant inhibition is attributed to the uptake of Ca 2+ free ions. On the other hand, the study submitted by [30] indicated that carboxylic acids (acrylic acid, maleic acid, tartaric acid, malic acid, succinic acid, and citric acid) were not affected to the nucleation of CaCO 3 crystals, but crystal growth was changed by the adsorption of antiscalants on the surface of the CaCO 3 crystals.…”

Section: Resultscontrasting

confidence: 99%

Synthesis of Poly (Citric Acid-Co-Glycerol) and Its Application as an Inhibitor of CaCO3 Deposition

et al. 2019

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This investigation determined a feasible route to prepare hyperbranched polyesters involving citric acid (CA) and glycerol (GLC) monomers (CA-co-GLC) using a thermal polycondensation method. The synthesized copolymer was characterized using Fourier transform infrared spectroscopy (FT-IR), carbon-13 nuclear magnetic resonance spectroscopy, and differential scanning calorimetry. The ability of CA-co-GLC to inhibit deposition of inorganic scales such as calcium carbonate was investigated under varying temperature and pH medium. The evaluation of inhibition efficiency (IE) was conducted using the static scale inhibition method. The mechanism of the inhibitor’s action was investigated via growth solution analysis, measurement conductivity, and analysis of CaCO3 using FT-IR and scanning electron microscopy. The results obtained showed that the CA-co-GLC had good IE at an elevated temperature reaching 75% at 100 °C, pH 7.5, and 10 ppm copolymer dose. Using the same dose, the IE reached 66% at 50 °C and pH 10. The CA-co-GLC did not chelate Ca2+ in water, but led to a change in polymorphism, making it brittle and able to slip easily from the surface. Its action principally prevented the adhesion of calcium carbonate onto the surface.

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Section: Resultscontrasting

confidence: 99%

Synthesis of Poly (Citric Acid-Co-Glycerol) and Its Application as an Inhibitor of CaCO3 Deposition

et al. 2019

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“…Compared with intracellular fraction, calcium absorption was predominant in extracellular at a temperature of 55○C, indicated Tepidimonas fonticaldi could become an effective bio-sorbent to remove calcium and reduce scaling. Itaconic acid (IA) is a secondary metabolite produced by Aspergillus terreus, its chemical structure makes it easy to polymerize or act as co-monomer with different other components, its copolymer has been suggested as attractive anti-scaling agents in many studies, for instance, 2-acrylamido-2-methylpropane sulfonic acid copolymer (IA/AMPS) (Cui & Zhang 2019), itaconic acidsodium allysulfonatesodium hypophosphite copolymer (IA/SAS/SHP) (Zhenfa Liuac 2015), and poly (itaconic acid-co-epoxysuccinic acid) (PIA-co-ESA) (Shi et al 2017). Among these studies, the anti-scaling performance of the three itaconic acid copolymers were all conducted by static jar tests according to GB/T16632, the highest scale inhibition efficiency was attributed to PIA-co-ESA, reached to 100% at a dosage level of 18 mg/L, such impact was even more effective than PBTC (Shi et al 2017).…”

Section: Microbial Product As Inhibitors On Antiscaling Applicationmentioning

confidence: 99%

State of art bio-materials as scale inhibitors in recirculating cooling water system: a review article

Chen

Liu

2022

Water Science and Technology

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During the operation of the circulating cooling water system, the inorganic scale deposition may cause technical problems, such as reduction of heat transfer efficiency in cooling systems and obstruction of pipes. In the industry, chemicals are often used as scale inhibitors in scale deposition control, antiscalants popular in industry are generally phosphorus and nitrogen containing chemicals, which may lead to eutrophication. However, increasing environmental concern and discharge limitations have guided antiscalants to move toward biodegradable, nontoxicity and cost-effectiveness. This paper reviews current researches on application of using bio-materials as scale inhibitors, including proteins and amino acids, polysaccharides, plant extracts, microbial reagents, and microbiological product. The non-bioaccumulation, low cost, readily biodegradability and sustainably available characters promote the development of green scale inhibitor chemistry.

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“…Binding energy represents the probability and strength of adsorption between the scale inhibitor and the surface. The binding energy (E inter , eV) between IA-AMPS-HPA and the surface can be calculated as follows 37,38 :…”

Section: Binding Energy Between Ia-amps-hpa Copolymer and Calcite (10...mentioning

confidence: 99%

Performance and mechanism study of IA‐AMPS‐HPA as an oilfield scale inhibitor: Experimental and molecular dynamics simulation

Wang,

Wei,

et al. 2023

J of Applied Polymer Sci

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In this article, itaconic acid (IA), 2‐acrylamide‐2‐methylpropanesulfonic acid (AMPS), and hydroxypropyl acrylate (HPA) served as the reaction's monomers, deionized water served as the reaction's solvent, and ammonium persulfate served as the reaction's initiator, with isopropanol serving as the chain transfer agent, a terpolymer scale inhibitor (IA‐AMPS‐HPA) was synthesized and used to prevent the growth of calcium carbonate (CaCO3) scale in an oilfield environment. On the effectiveness of scale inhibition, the influence of temperature, scale inhibitor concentration, pH, calcium ion concentration, and salt levels are examined. The results indicate that the scale inhibition rate progressively drops with growing temperature and gradually increases with rising scale inhibitor concentration. The scale inhibition rate reaches 97.67% when the temperature is 60°C, and the scale inhibitor concentration is 60 mg/L. When the temperature is 80°C and the concentration of scale inhibitor is 40 mg/L, the inhibitor's ability to block CaCO3 increases as the salt content rises. The scale inhibition rate is more than 85% when the pH is less than 9. Besides, the Ca2+ concentration is less than 300 mg/L, and the scale inhibition rate declines as the Ca2+ concentration rises, reaching a maximum value of 91.67% when the salt content is 33 g/L. With a rise in pH, the scale inhibition rate dropped. Employing a scanning electron microscope, the morphology of scale samples was described and analyzed. Molecular dynamics was utilized to simulate the interaction between IA‐AMPS‐HPA and the crystallization surface of CaCO3 at varying temperatures. The results show that the binding energy decreases as the system temperature rises and that the reaction between polymer molecules and CaCO3 crystals in the system can be observed by increasing the time step length and the water molecule concentration. The simulation results are with following the observed phenomena.

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Design and synthesis of biodegradable antiscalant based on MD simulation of antiscale mechanism: A case of itaconic acid-epoxysuccinate copolymer

Cited by 29 publications

References 21 publications

Synthesis of Poly (Citric Acid-Co-Glycerol) and Its Application as an Inhibitor of CaCO3 Deposition

Synthesis of Poly (Citric Acid-Co-Glycerol) and Its Application as an Inhibitor of CaCO3 Deposition

State of art bio-materials as scale inhibitors in recirculating cooling water system: a review article

Performance and mechanism study of IA‐AMPS‐HPA as an oilfield scale inhibitor: Experimental and molecular dynamics simulation

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