Coatings
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2022
·Vol. 12
·期 12
·1975
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IF 3.236
Shoumin Sun,Yang Li,Kejing Gao,Li Cheng,Xue Yang,Ruiquan Liao
In the process of petroleum exploitation, in order to effectively inhibit the corrosion damage of acid to metal equipment. Mannich base corrosion inhibitors are generally added to inhibit the corrosion damage of acid. In order to enhance the solubility of Mannich base corrosion inhibitor. This paper intends to introduce hydrophilic groups to enhance the solubility of the Mannich base corrosion inhibitor. In this paper, two efficient corrosion inhibitors 3-(2-hydroxyethylamino)-1-phenylpropan-1-one (MY1) and 3-(2-aminoethylamino)-1-phenylpropan-1-one (MY2), were synthesized based on the Mannich reaction, using formaldehyde, acetophenone and ethanolamine/ethylenediamine as reaction raw materials. The corrosion inhibition performance of the inhibitor on N80 steel in 15% (mass fraction) hydrochloric acid solution was studied by means of the static weight loss method, electrochemical test and optical contact angle analysis. It could be seen from the static weight loss method that the corrosion rate in the hydrochloric acid solution before and after adding 0.7% (mass fraction) corrosion inhibitor concentration decreased from 129.39 g·m−2·h−1to 1.45 g·m−2·h−1and 2.79 g·m−2·h−1, respectively. The corrosion inhibition rate could reach 98%, indicating that both inhibitors had good corrosion inhibition performance, and the corrosion inhibition effect of MY1 was better than that of MY2. It was found from the electrochemical tests that the two inhibitors were mixed corrosion inhibitors mainly inhibiting the anodic reaction, and both inhibitors belonged to spontaneous adsorption, and their adsorption behaviors followed the Langmuir adsorption isotherm. In addition, the surface of N80 steel was characterized by SEM, EDS elemental mapping and contact angle measurement. The results show that a dense hydrophobic film is formed on the surface of the steel sheet after the addition of a corrosion inhibitor, which prevents corrosion.
研究领域:
材料科学
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腐蚀与防护
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石油工程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
·
IF 2.1
Jianhui Du,Yunlu Li,Guoliang Jin,Jianlong Wang,Lizhen Chen
2,4,6,8,10,12-Hexacyclopropyl-2,4,6,8,10,12-hexaazaisowurtzitane (HCPIW) is a novel nitration precursor used in the synthesis of CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane). Investigating the solubility of HCPIW is of significant importance for optimizing its synthesis and crystallization processes, as well as for advancing the development of the CL-20 synthetic route. However, to the best of our knowledge, no studies have been reported on the solubility of HCPIW. To support downstream processing, its solubility in 12 pure solvents (dichloromethane, chloroform, carbon tetrachloride, 1,1,2-trichloroethane, 1,2-dichloroethane, n-hexane, cyclohexane, ethyl acetate, acetone, methanol, ethanol, and acetonitrile) was determined by the gravimetric method over the temperature range of 278.15 to 318.15 K. The experimental solubility data were correlated using the Apelblat equation, Yaws model, van’t Hoff equation, and a polynomial empirical model. All four models exhibited excellent agreement with the experimental data, with correlation coefficients (R2) exceeding 0.99 and root-mean-square deviations (RMSD) approaching zero. These models are thus suitable for accurately describing the solubility behavior of HCPIW. This study provides essential thermodynamic data to support further research and process development involving HCPIW.
研究领域:
化学工程
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热力学
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材料科学
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有机合成
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工艺优化
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2023
·
IF 2.6
Shuai Yu,Zihao Wang,Panpan Yu,Shanshan Wang,Guangzhou Li,Fumin Xue,Long Fu
Solid-liquid equilibrium solubility paliperidone palmitate (PP) in 21 kinds of mono-solvents, including ethanol, n -propanol, i -propanol, n -butanol, i -butanol, s -butanol, n -pentanol, i -pentanol, 2-butanone, methyl isobutyl ketone, cyclohexanone, ethyl formate, ethyl acetate, propyl acetate, isopropyl acetate, butyl acetate, amyl acetate, N , N -dimethylformamide (DMF), tetrahydrofuran (THF), toluene, and 1,4‑dioxane were determined by a gravimetric method at a various temperature. The solubility of PP increases with the increase of temperature. In alcoholic solvents, the solubility order is: n -pentanol > i -pentanol > i -butanol > s -butanol > n -butanol > n -propanol > i -propanol > ethanol. In easter solvents, the solubility of PP ranking as: ethyl formate > amyl acetate > butyl acetate > propyl acetate > ethyl acetate > isopropyl acetate. For ketone solvent, the solubility order is: cyclohexanone > 2-butanone > methyl isobutyl ketone. In other solvents, the solubility order is: THF > toluene > 1,4‑dioxane > DMF. The maximum solubility of PP is 0.1922 mol·mol −1 (toluene, 353.15 K), and the minimum solubility is 0.0003788 mol·mol −1 (ethanol, 318.15 K). Four thermodynamic models, i.e., the modified Apelblat model, the Yaws model, the NRTL model and the Wilson model were selected to correlate the solubility data in this paper. NRTL model fits best among all the models with RAD no larger 4.84 × 10 −2 ( n -propanol) and RMSD value less than 12.55 × 10 −4 (1,4-dioxane). Furthermore, dissolution thermodynamic properties of PP were evaluated based on the Wilson model. The dissolution process of PP is demonstrated to be spontaneous in the chosen organic solvents.
研究领域:
药学
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物理化学
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热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Changyou Yu,Mingyang Chen,Bo Lin,Ningning Tian,Ye Gao,Songgu Wu
The solubility of 5,5-dimethylhydantoin (DMH) in 12 pure solvents including water, methanol, ethanol, 1-propanol, isopropyl alcohol, 1-butanol, isobutyl alcohol, 2-butanol, 1-pentanol, ethyl acetate, propyl acetate, and acetonitrile was measured at temperatures from 283.15 to 323.15 K under atmospheric pressure by a gravimetric method. The values of the mole fraction solubility of DMH in these solvents increase with increasing temperature and present the following order at a fixed temperature: methanol > ethanol > 2-butanol > isopropyl alcohol > 1-propanol > isobutyl alcohol (1-butanol) > 1-pentanol > water > acetonitrile > ethyl acetate > propyl acetate. They were mathematically correlated by the modified Apelblat equation, van’t Hoff equation, λh equation, and the Wilson model. The results showed a satisfactory correlation for each model.
研究领域:
化学
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物理化学
·
热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Han Yue,Yuxiang Liu,Yidong Gu,Xiwei Hu,Jiaming Zhu,Qunsheng Li
The solubility of trans-3-hydroxycinnamic acid in pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, methyl acetate, ethyl acetate, and n-propyl acetate) and (ethanol + ethyl acetate) cosolvent mixtures was measured by the gravimetric method from 293.15 to 333.15 K in normal pressure. The experimental results show that the solubility of 3-HCA(E) in alcohol solvents is greater than in ester solvents, which conforms to “like dissolves like”. On this basis, the experimental result was correlated with semiempirical models (the modified Apelblat, van’t Hoff, λh, Jouyban–Acree–van’t Hoff equation, and combined model) and activity coefficient models (Wilson, NRTL, and UNIQUAC equation). The modified Apelblat model has the best correlation of the experimental data, with an ARD of less than 0.5% for pure solvents and cosolvent mixtures. The solvent effect was calculated by the KAT-LSER equation, showing that the hydrogen bond alkalinity of solvents–solutes (β) and the solvent self-association (δH) significantly influence the solubility of 3-HCA(E), accounting for 32.46 and 55.02%, respectively. Finally, the thermodynamic parameters (ΔHmix, ΔSmix, ΔGmix,%ξH, and %ξTS) were calculated. Negative values of both ΔHmix and ΔGmix indicate that the mixing process of 3-HCA(E) is exothermic and spontaneous. The Gibbs energy of the mixing process is jointly contributed by enthalpy and entropy.
研究领域:
物理化学
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热力学
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溶解度研究
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药学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Zhi Wang,Liang Yao,Ting Wang,Zilong Cui,Jingling Ye,Yonghong Hu
In this study, the data on solid–liquid equilibrium of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline were studied by the gravimetric method. The solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline was measured in 10 pure solvents (ethyl acetate, tetrahydrofuran, acetonitrile, dichloromethane, acetone, methanol, acetylacetone, n-propanol, n-butanol, and water) and three binary solvent mixtures (water + tetrahydrofuran, acetone + n-butanol, and ethyl acetate + n-propanol) in the temperature range of 278.15 to 323.15 K under atmospheric pressure. The experimental results show that the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in the abovementioned solvents increases with the increase of temperature. Among the 10 pure solvents, ethyl acetate has the highest solubility. The improved Apelblat model, Buchowski–Ksiazaczak λh model, Redlich–Kister (CNIBS/R-K) model, and Jouyban–Acree model are used for nonlinear fitting of experimental data, and the KAT-LSER model is also used to study the relationship between the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in pure solvents and the interaction between solvent and solute molecules. The physical and chemical information of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline provided in this report may help its extraction/separation, recrystallization, purification, and formulation development.
研究领域:
物理化学
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热力学
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药学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Shanghong Zong,Bochen Pan,Leping Dang,Hongyuan Wei
In this work, pure form I and form II of furosemide-4,4′-bipyridine (FS-4BPY) 2:1 cocrystals were prepared. Both polymorphs were characterized by optical microscopy , powder X-ray diffraction, differential scanning calorimetry , thermogravimetric analysis , and Fourier transform infrared spectroscopy . The relative stability of the two forms was estimated from their solubility data in 2-propanol by the gravimetric method. Moreover, the thermodynamically stable form with lower solubility, form II, was further investigated in different pure and binary solvents from 293.15 K to 333.15 K under atmospheric pressure. In pure solvent system, the solubilities of forms II cocrystals increase with rising temperature and follow the order of acetone > ethanol > 1-propanol ≈ 1-butanol > 2-propanol > acetonitrile . In 2-propanol–water binary solvent system, the co-solvency phenomenon was observed and the maximum solubility of form II is higher than that in pure solvents. The experimental solubility data were correlated by the modified Apelblat model, the CNIBS/R–K model, the Jouyban–Acree model and the NRTL model, and all models give satisfactory correlations. Finally, the apparent dissolution thermodynamic properties, including the dissolution Gibbs energy , the dissolution enthalpy and the dissolution entropy, were calculated based on the NRTL model. The results indicate that the dissolution processes of form I and form II of FS-4BPY cocrystals in selected solvents are all spontaneous, endothermic, and entropy-driven.
研究领域:
药学
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物理化学
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热力学
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晶体学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2021
·
IF 6.165
Xiaofang Niu,Han Liu,Su Xue,Jinli Zhang,Wei Li
The solubility data of flonicamid (FA) in twelve mono-solvents (methanol (MA), ethanol (EA), n-propanol (NPA), isopropanol (IPA), n-butanol (NBA), isobutanol (IBA), ethyl acetate (EAC), butyl acetate (BAC), acetone (AT), acetonitrile (AN), tetrahydrofuran (THF), 1,4-dioxane (DX)) and a binary solvent of EA + EAC were experimentally measured by using a gravimetric method under atmospheric pressure. The tested temperature range for the studied solvents was from 283.15 K to 323.15 K except of 288.15–323.15 K for DX. Powder X-ray diffraction (PXRD) was applied to evaluate the crystal form of FA, and no solvate or new form formation were observed during the whole experiment. The experimental results show that the rising temperature leads to the increase of the FA solubility in all the studied mono and mixed solvents at the tested ranges. For mono-solvents, the solubility of FA at 293.15 K increases in the order: IBA (0.002641) < IPA (0.004243) < NPA (0.004361) < NBA (0.004750) < BAC (0.006844) < EA (0.006864) < EAC (0.01342) < MA (0.01394) < DX (0.01747) < AN (0.02455) < THF (0.03433) < AT (0.04645). For EA + EAC mixed solvents, the solubility of FA increases and then decreases with the rising mole fraction of EAC. That means addition of EAC to EA can alter the FA solubility. Density functional theory (DFT) calculations were performed to analyze the interactive energy between FA and the solvent molecules. Furthermore, the Apelblat equation, van’t Hoff equation, λh equation are applied to correlate the experimental solubility data of FA in mono and mixed solvent systems, while NRTL model and Wilson model are selected for mono-solvents, CNIBS/R-K model and Jouyban-Acree model for mixed solvents. Correlated results demonstrate that the Apelblat model provides the best regression. In addition, the dissolution thermodynamic properties of FA in chosen solvents are analyzed by the van’t Hoff equation. It suggests that the dissolution processes of FA are non-spontaneous, endothermic and entropy increase in these studied systems.
研究领域:
化学
·
物理化学
·
热力学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Yameng Wan,Haixia He,Pengshuai Zhang,Rui Zhao,Jiao Sha,Tao Li,Baozeng Ren
In this work, solubility of cis-5-norbornene-exo-2,3-dicarboxylic anhydride (himic anhydride) in binary solvents of (1,4-dioxane, DMF, NMP + ethanol) was experimentally determined by the gravimetric method ranged from 278.15 K to 323.15 K under 0.1 MPa. It was found that solubility of himic anhydride increased with elevating temperature while decreased as the mass fraction of ethanol increased. Solubility order of himic anhydride in three binary solvents was interpreted by comparing the interaction energy ( E inter ) between solute and binary solvents based on density function theory (DFT). Experimental solubility in binary solvents was correlated by the Two-Suffix Margules, NRTL, Wilson, uniquac and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, NRTL, uniquac and Two-Suffix Margules model are suitable to correlate the experimental solubility. Moreover, thermodynamic properties of dissolution process (Δ dis G , Δ dis S , Δ dis H , Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were calculated by the Wilson equation. The dissolution process and mixing process of himic anhydride in selected binary solvents are entropy-positive.
研究领域:
化学工程
·
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
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