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JOURNAL OF MOLECULAR LIQUIDS · 2023 · IF 6

Investigation of alcohol-based deep eutectic solvents for inhibiting hydration in shale formations

Jian-gen Xu,Taotao Luo,Jun Wang,Shijie Zhu,Saman Azadbakht,Xueying Lyu,Meng Li,Liang Wang

When drilling with water-based drilling fluids, the principal causes of wellbore instability are shale hydration and swelling. There exists an imminent necessity for the development of high-performance hydration inhibitors to effectively address this issue. Within the scope of this work, four alcohol-based deep eutectic solvents (DES) derived from choline chloride were prepared as efficient hydration inhibitors. The inhibitory capabilities of these alcohol-based DES, along with traditional inhibitors such as potassium chloride and polyetheramine, were compared through tests including linear swelling, hot-rolling dispersion, capillary suction timer, and sedimentation experiments. In the alcohol-based DES solutions, the expansion heights of bentonite decreased from 7.65 mm to 3.65, 3.96, 3.89, and 4.10 mm, respectively. After hot-rolling at 80 °C, the recovery rates of shale cuttings increased from 33.62 % to 91.33 %, 84.68 %, 88.38 %, and 81.24 %, respectively. All of the alcohol-based DES demonstrated superior hydration inhibition effects. The inhibition mechanism of alcohol-based DES was drawn from a comprehensive assessments encompassing zeta potential, particle size distribution, optical microscope observation, surface tension, and X-ray diffraction measurements. The predominant mechanism responsible for the inhibition of shale hydration resided in the electrostatic and hydrogen bonding interactions between the DES and clay. Additionally, the alcohol-based DES exerted a supplementary effect by reducing water intrusion via lowering the liquid surface tension. Due to their outstanding inhibitory performance, the prepared alcohol-based DES exhibited substantial promise as high-performance hydration inhibitors in shale drilling applications.

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CEMENT & CONCRETE COMPOSITES · 2022 · IF 9.93

Effects of carbon nanofibers on hydration and geopolymerization of low and high-calcium geopolymers

Xingyi Zhu,Chenghong Lu,Wenkai Li,Siqi Zhou,Feng Li,Jianzhuang Xiao,Surendra P. Shah

This paper discusses the different modifying mechanisms of carbon nanofiber (CNF) on the geopolymers with different calcium contents . First, the rheological and mechanical properties of CNF modified geopolymers with low and high-calcium content are measured. Results show that the modifying effect on rheological properties is more obvious on high-calcium geopolymers. The compressive and flexural strength of low-calcium geopolymers decrease, while the compressive and flexural strength of high-calcium geopolymers significantly improve. Based on XRD , MIP , and SEM analyses, it can be concluded that CNFs help to produce refined hydration products in high-calcium geopolymers, resulting in a denser structure. Promoting hydration can counteract the adverse effect caused by the agglomeration of CNFs. CNFs have a positive effect on high-calcium geopolymers in general. However, hydration reaction rarely happens in the low-calcium geopolymers because of the low calcium content, and XRD results show that CNFs do not significantly promote the geopolymerization reaction. Moreover, the agglomeration of CNFs leads to a decrease in compactness. CNFs negatively affect low-calcium geopolymers. Generally, CNFs can be applied in high-calcium geopolymers to form a denser structure and improve the mechanical properties.

研究领域: 材料科学 · 土木工程
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Heliyon · 2023 · IF 4

Water-based drilling fluids containing hydrophobic nanoparticles for minimizing shale hydration and formation damage

Yuexiang Li,Changyuan Xia,Xin Liu

Wellbore instability is always inevitable in shale formation due to hydration, swelling, and dispersion of clay, especially when using water-based drilling fluids (WBDFs). To mitigate the wellbore instability of shale formation and avoid correlative detriments such as formation damage, various nano-silica particles (nano-SiO 2 ) were employed to plug the nano-sized pores, inhibit water invasion into shale, and prevent shale swelling. Firstly, the influence of various nano-SiO 2 on rheological and filtration properties of a set WBDF was evaluated. Then, the linear swelling test, shale recovery test, zeta potential test, imbibition test, contact angle measurement, scanning electron microscopy (SEM) observation, and computed tomography (CT) analysis were conducted to assess the characteristic of nano-SiO 2 . Experimental results showed that solid phase nano-SiO 2 could dramatically increase the viscosity and yield point while liquid phase nano-SiO 2 only caused small fluctuations on these parameters. Besides, hydrophobic nano-SiO 2 displayed better filtration performance than hydrophilic nano-SiO 2 . On the whole, the hydrophobic nano-SiO 2 dispersion, called as nano-2, showed the best performance in WBDFs. Furthermore, nano-2 exhibited better inhibition than hydrophilic nano-SiO 2 , KCl, and polyether amine (PA). Mechanism analysis demonstrated that nano-2 could improve the hydrophobic degree of shale surface and prevent water from contacting with the shale. Meanwhile, nano-2 plugged the pores and throats in the shale. As a consequence, water in the drilling fluid was prevented from invading the shale, and the shale was inhibited. Nano-2 could form a thin barrier in the surface of shale, and mitigate the damage degree of shale cores after perforation operation. As a result, nano-2 displayed great potential to stabilize shale and protect formation in WBDFs.

研究领域: 石油工程 · 材料科学
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MINERALS ENGINEERING · 2025 · IF 5

Enhancing malachite flotation: Interface hydration structure and regulation mechanism by bis(2-ethylhexyl)phosphate

Qiuyue Sheng,Zhen Li,Wenjing Feng,Yuxuan Yang,Zhanglei Zhu,Ningning Zhang,Wanzhong Yin

As one of the main copper oxide minerals, the strong surface hydrophilicity induces the low recovery of malachite and decreases the utilization efficiency of copper metal. In this work, the interface hydration structure of malachite and regulation mechanism by bis(2-ethylhexyl)phosphate (D2EHPA) were revealed via density functional theory (DFT) calculations, molecular dynamics (MD) simulations, X-ray photoelectron spectroscopy (XPS) analysis, contact angle and Zeta potential measurements. Flotation tests and contact angle measurements showed that D2EHPA exhibited excellent concentration selectivity for malachite against muscovite and quartz, enhanced the malachite recovery to 90.65 % with the dosage of 50 mg/L at pH 7.0, and the contact angle of malachite increased from 23.0° to 111°. Zeta potential analysis confirmed the selective adsorption of D2EHPA on malachite surface, electrostatic attraction occurred between D2EHPA and malachite surface when pH < 8.0. XPS analysis and DFT calculations further confirmed the adsorption of D2EHPA on malachite surface. Moreover, the adsorption of D2EHPA mainly via the chemical bonding between O1 (P=O), O2 (P-OH) and the Cu on malachite surface. MD simulations revealed that the average D2EHPA molecule interaction energy with malachite (−2 0 1) surface was −36.522 kJ/mol, increased the interaction energy of H 2 O on malachite (−2 0 1) surface from −1.293 kJ/mol to −0.824 kJ/mol, decreased the number density of H 2 O molecule towards malachite (−2 0 1) surface from 0.18 Å -3 to 0.12 Å -3 , induced hydrophobicity of malachite surface.

CAS / MDL: 298-07-7
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LANGMUIR · 2025 · IF 3.9

Insights into the Storage of Adsorption–Hydration Natural Gas in Preadsorbed Water Nanoporous Materials

Fei Wang,Mengqi Liu,Peng Zhang,Yifan Xu,Daiming Liu,Guodong Zhang

Although methane-dense storage is anticipated in wet nanoporous materials using the synergy of adsorption and hydration (the so-called adsorption–hydration natural gas, AHNG), the understanding of this technology is still insufficient, which limits its large-scale application. Here, new insights into the AHNG technology are presented, including new findings, phenomena, problems, and solutions, which are helpful to improve the understanding of this technology, enhance methane storage density, and pave the way for its application. Both synergy and antagonism between adsorption and hydration were observed; the synergy increases methane storage capacity, while the antagonism weakens the adsorption and hydration efficiency. In addition, two special phenomena were discussed, which have never been noticed by the hydrate community, and artificial intelligence was thought to provide an effective method for material design, while a storage cell was suggested to improve inner mass transfer of AHNG storage tanks.

研究领域: 储能 · 材料科学 · 化学工程 · 纳米技术 · 材料设计中的人工智能
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MATERIALS AND STRUCTURES · 2022 ·Vol. 55 ·期 7 ·1-17 · IF 4.285

Carbon nanotubes do not provide strong seeding effect for the nucleation of C3S hydration

Wang Xiaonan,Feng Decheng,Shi Xianming,Zhong Jing

Understanding the fundamental role of carbon nanomaterials is the key to unlocking their potential in enhancing the macroscopic engineering properties and performance of cementitious materials. There is significant debate over the hypothesis that carbon nanomaterials with high surface areas could promote cement hydration by providing nucleation sites (i.e., seeding effect). The seeding effect of carbon nanotubes (CNTs) for cement hydration has lacked direct experimental evidence, mainly due to the inability to directly observe the surface of CNTs after their full contact with the pore solution of cement and the complexity of hydration products at the nanoscale. Different from previous studies, we developed CNT sponge (CNTSP), a macro-scale assembly consisting of randomly oriented and entangled CNTs in three-dimension space, as the platform for discriminating the potential nucleating effect of CNTs. By design, the CNTSP features nano-sized interconnected pores that allow only the pore solution to penetrate through, thus separating the tricalcium silicate (C 3 S) particles and the pore solution of C 3 S in situ. The experimental results revealed that pristine and oxidized CNTs could barely act as seeding material for the nucleation of C 3 S hydration products. Relative to pristine CNT, oxidized CNT can promote the local formation of calcium hydroxide (CH) that is only loosely connected to the CNT, while depressing that of calcium silicate hydrate (C–S–H). The CNTSP was further employed as a platform to investigate the effects of superplasticizer on C 3 S hydration, revealing that the superplasticizer improves the CNT-hydrates binding. This work not only provides fundamental knowledge about the limited role of CNT in C 3 S hydration, but also demonstrates a novel experimental platform for investigating the interaction between carbon nanomaterials and cement hydration products.

研究领域: 材料科学 · 土木工程 · 纳米技术
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ACS Materials Au · 2023 · IF 0

Phase Chemistry for Hydration Sensitive (De)intercalation of Lithium Aluminum Layered Double Hydroxide Chlorides

Dongdong Li,Ning Zhang,Dandan Gao,Ziyu Zhuang,Dewen Zeng

Lithium aluminum layered double hydroxide chlorides (LADH-Cl) have been widely used for lithium extraction from brine. Elevation of the performances of LADH-Cl sorbents urgently requires knowledge of the composition–structure–property relationship of LADH-Cl in lithium extraction applications, but these are still unclear. Herein, combining the phase equilibrium experiments, advanced solid characterization methods, and theoretical calculations, we constructed a cyclic work diagram of LADH-Cl for lithium capture from aqueous solution, where the reversible (de)hydration and (de)intercalation induced phase evolution of LADH-Cl dominates the apparent lithium “adsorption–desorption” behavior. It is found that the real active ingredient in LADH-Cl type lithium sorbents is a dihydrated LADH-Cl with an Al:Li molar ratio varying from 2 to 3. This reversible process indicates an ultimate reversible lithium (de)intercalation capacity of ∼10 mg of Li per g of LADH-Cl. Excessive lithium deintercalation results in the phase structure collapse of dihydrated LADH-Cl to form gibbsite. When interacting with a concentrated LiCl aqueous solution, gibbsite is easily converted into lithium saturated intercalated LADH-Cl phases. By further hydration with a diluted LiCl aqueous solution, this phase again converts to the active dihydrated LADH-Cl. In the whole cyclic progress, lithium ions thermodynamically favor staying in the Al–OH octahedral cavities, but the (de)intercalation of lithium has kinetic factors deriving from the variation of the Al–OH hydroxyl orientation. The present results provide fundamental knowledge for the rational design and application of LADH-Cl type lithium sorbents.

研究领域: 材料化学 · 环境科学
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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

Inhibition of the polymer grafted with dopamine derivatives on hydration and swelling of clay

Jintian Guan,Guancheng Jiang,Chunping Guo,Yinbo He,Mogang Li

Swelling of clay minerals is one of the main factors restricting the efficient exploration and development of shale oil and gas. To solve this issue, the free radical induction method was employed to synthesize a polymer grafted with dopamine derivatives, P(AM-DA). This study aimed to evaluate the inhibitory properties of P(AM-DA) on the hydration and swelling of clay and analyze its mechanism. Firstly, P(AM-DA) was characterized by FTIR, HNMR, and TGA. Subsequently, anti-swelling, anti-disintegration, and immersion tests were conducted to evaluate its inhibitory properties. Then, the inhibitory mechanism was further elucidated through Zeta potential tests, particle size analysis, XRD tests, and SEM analysis. Finally, the properties of P(AM-DA) on mud rheology and fluid loss were evaluated. The experimental results showed that the dopamine derivatives were successfully grafted onto the polymer's side chains. Additionally, the result of TGA demonstrated the polymer's good thermal stability below 200℃. P(AM-DA) showed a superior inhibitory effect, and the swelling rate of cores was much lower than that of KCl and polyetheramine. Despite the clay mineral content of shale cuttings being as high as 51.1 %, the anti-disintegration rate could be increased by 66.45 %. The Na-BT core retained its shape and structural integrity after 72-hours immersion, and it could support a weight of 200 g. Regarding the inhibitory mechanism, P(AM-DA) could adsorb onto the surface of clay particles through hydrogen bonding and electrostatic interaction, which reduced the dispersion of clay particles. The protonated amine groups could neutralize the electronegativity of the clay particles, reducing the electrostatic repulsion between the layers. Besides, P(AM-DA) exhibited a series of special behaviors, such as adsorption on the core surface to form a homogeneous layer and insertion into the crystal layer of clay. Both of these behaviors could decrease the passage of water molecules, and the intercalation behavior could also reduce and stabilize the interlayer spacing. In addition, P(AM-DA) could dramatically increase the viscosity of the fluid at higher concentrations and unexpectedly reduce fluid loss. In conclusion, P(AM-DA) showed considerable promise in inhibiting hydration and swelling of clay.

研究领域: 材料科学 · 石油工程
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Case Studies in Construction Materials · 2024 · IF 6.5

Influence of gypsum additions on the hydration and properties of Belite-Ye’elimite-Ternesite clinker

Jiangbo Yu,Qian Zhang,Yu Xu,Jinfeng Sun,Suhua Ma,Weifeng Li

Belite-Ye’elimite-Ternesite (BYT) clinker has many advantages compared to Portland cement (PC) clinker, including low sintering temperature and low carbon emission. In this study, we systematically investigated the hydration reaction of BYT clinker in the present of gypsum (CaSO 4 ·2 H 2 O) and compared the properties of BYT clinker with different gypsum additions. The results showed that the gypsum additions of 5 % and 10 % promoted the early exothermic reaction of BYT clinker. In the hydration process of BYT clinker, an inhibitory effect of gypsum was found on the hydration of belite. In addition, the mechanism for the influence of gypsum additions on the hydration behavior of BYT clinker was illustrated that when the content of gypsum was more than 15 %, the production of AFm (C 6 A$H 12 ) and strätlingite (C 2 ASH 8 ) was limited due to the massive formation of AFt (C 6 A$ 3 H 32 ). The addition of gypsum improved pore size distribution and compressive strength. Especially, the 1-day and 56-day compressive strength of BYT clinker increased by 41.6 % and 47.4 %, with gypsum additions of 5 % and 20 %, respectively.

CAS / MDL: 1344-28-1
研究领域: 材料科学 · 水泥化学
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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

Improving shale hydration inhibition with hydrophobically modified graphene oxide in water-based drilling fluids

Jian-gen Xu,Liang Wang,Hao Hu,Duanshuai Cao,Sihang Li

Frequent wellbore instability issues caused by shale hydration and dispersion are encountered in water-based drilling fluids. In order to mitigate shale hydration, a hydrophobic graphene oxide (HGO) was prepared as a new shale inhibitor and characterized. The effectiveness of HGO in inhibiting shale hydration was evaluated through hydration expansion, hydration dispersion, and bentonite sheets immersion tests. The expansion height of bentonite in HGO (3.87 mm) was lower than that of commercial shale inhibitors potassium chloride (KCl, 4.64 mm) and polyether amine (PA, 4.33 mm). The shale recovery rate in HGO at 80 °C was 86.25 %, which was superior to KCl (46.60 %) and PA (78.25 %). Furthermore, the morphology of bentonite sheet remained more intact after immersion in HGO. Additionally, the inhibitory mechanism of HGO was studied in-depth, employing zeta potential, particle size, surface tension, wettability, capillary rise height, and scanning electron microscopy (SEM) tests. By virtue of electrostatic attraction, HGO could tightly adsorb to the shale surface, resulting in a hydrophobic blocking membrane, thereby greatly reducing water infiltration. Following interaction with shale at a concentration as low as 0.5 %, the water contact angle exhibited a notable enhancement, rising from 22.49° to 86.69°. And it could also decrease the capillary self-suction capacity of shale, further reducing water adsorption. Consequently, HGO exhibited significant potential for inhibiting hydration in shale drilling.

研究领域: 石油工程 · 材料科学
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ADVANCED FUNCTIONAL MATERIALS · 2026 · IF 19.9

A Bioinspired Nanocomposite Solar Evaporator With Interfacial Ion Triggered Hydration Chemistry for Sustainable Desalination

Yueman Tang,Xin Ming,Libo Zhang,Mengjie Si,Jiahui Zhou,Yuming Deng,Ji Lin,Jiayu Hu,Wei Jian,Si Yu Zheng,Jintao Yang

Interfacial solar desalination presents a green solution to the global freshwater crisis, yet its efficiency in hypersaline brines is often limited by trade-off between evaporation rate and salt resistance. Inspired by Salicornia europaea , we develop an aerogel-hydrogel nanocomposite evaporator (ZHGA) that combines structural and molecular synergies. The ZHGA utilizes a longitudinally aligned graphene aerogel framework, which ensures efficient photothermal conversion, rapid water transport and self-floating capability. On its surface, a specially designed zwitterionic hydrogel skin is grown, which exhibits a pronounced anti-polyelectrolyte effect. This character allows the hydrogel skin to absorb substantial amounts of water from brine, thereby diluting the salt concentration and suppressing salt precipitation; the hydrogel also reduces evaporation enthalpy through mediating the binding network of water. The obtained ZHGA evaporator achieved an evaporation rate of 5.03 kg m − 2 h − 1 in 3.5 wt.% brine, maintained 98.5% efficiency over five eight-hour cycles in 15 wt.% brine, and prevented salt crystallization during continuous evaporation, ensuring sustainable and durable use. The produced fresh water not only meets the WHO drinking water standard but also supports plant growth, making it suitable for agricultural applications. This design realizes rapid water supply and salt rejection, paving the way for next-generation solar desalination systems.

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TRIBOLOGY INTERNATIONAL · 2026 · IF 7.6

Confinement-limited hydration and tribofilm continuity in water-contamination-tolerant lubrication by 2D COFs

Zhuangzhuang Bi,Le Gu,Yuanyuan Guo,Huanhuan Wei,Qing Qu,Bo Wu

Water intrusion into organic base fluids frequently induces boundary lubrication failure. To address this challenge, two-dimensional covalent organic frameworks (2D COFs) were investigated as water-tolerant nano-additives. Two COFs with distinct linkages were compared: the rigid imine-linked TFB-DB and the flexible β -ketoenamine-linked TFP-ODA. A combined experimental and multiscale simulation strategy was employed to correlate nanoscale interfacial dynamics with mesoscale tribofilm morphology. Although both COFs exhibited similar macroscopic wettability, their lubrication behaviors differed significantly. Multiscale simulations revealed a confinement-limited geometric saturation effect under extreme local contact pressures. Because the confined-water hydrogen-bond network reached geometric saturation, functional-group abundance alone could not proportionally enhance lubrication. Instead, structural adaptability was identified as the critical factor. Computations demonstrated that the flexible TFP-ODA framework provided favorable local water affinity and dynamically stabilized the confined water layer under severe shear, preventing hydration network collapse. Morphological analyses confirmed that this microscale flexibility directly facilitated mesoscale tribofilm continuity. While the rigid TFB-DB produced discontinuous deposits, TFP-ODA formed a continuous, strongly adhered tribofilm that effectively shielded the high-shear metallic substrate. Consequently, TFP-ODA demonstrated exceptional water-contamination tolerance, achieving an optimal friction coefficient of ∼0.15 in a 50% ethylene glycol/water mixture. These results indicate that the boundary lubrication performance of COF additives is governed synergistically by dynamic hydration-layer stabilization and continuous tribofilm formation, rather than by macroscopic wettability or functional-group density alone.

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