Molecular dynamics simulation for interaction of PESA and acrylic copolymers with calcite crystal surfaces
WY Shi, C Ding, JL Yan, XY Han, ZM Lv, W Lei, MZ Xia… - Desalination, 2012 - Elsevier
The interactions between four scale inhibitors, namely, polyepoxysuccinic acid (PESA),
acrylic acid–maleic acid copolymer [P (AA-co-MA)], acrylic acid–hydroxypropyl acrylate …
acrylic acid–maleic acid copolymer [P (AA-co-MA)], acrylic acid–hydroxypropyl acrylate …
Optimizing the performance of a composite corrosion/scale inhibitor for CO2 flooding wells
D Zeng, Z Liu, Y Yi, X Han, B Dong, H Tong… - Journal of Natural Gas …, 2022 - Elsevier
To solve the corrosion and scaling problems of CO 2 flooding wells, a novel composite
corrosion and scale inhibitor FIQC-APES was developed in the study. Two agents with high …
corrosion and scale inhibitor FIQC-APES was developed in the study. Two agents with high …
Design and synthesis of biodegradable antiscalant based on MD simulation of antiscale mechanism: A case of itaconic acid-epoxysuccinate copolymer
W Shi, W Xu, H Cang, X Yan, R Shao, Y Zhang… - Computational Materials …, 2017 - Elsevier
Antiscalants commonly used are difficult to be degraded and research of new antiscalants
still relies on experiments. Therefore, molecular dynamics was applied to simulate …
still relies on experiments. Therefore, molecular dynamics was applied to simulate …
膦系阻垢剂阻碳酸钙垢机理的研究
夏明珠, 雷武, 戴林宏, 褚玉婷, 王风云 - 化学学报, 2010 - sioc-journal.cn
摘要在模拟循环水中, 通过静态阻垢实验研究了HEDP, PBTCA, ATMP 和EDTMP
对碳酸钙的阻垢性能, 在相同的加药浓度下(按物质的量浓度计) 阻垢性能的强弱顺序为HEDP> …
对碳酸钙的阻垢性能, 在相同的加药浓度下(按物质的量浓度计) 阻垢性能的强弱顺序为HEDP> …
Molecular dynamics simulation on scale inhibition mechanism of polyepoxysuccinic acid to calcium sulphate
J Zeng, F Wang, C Zhou, X Gong - Chinese Journal of Chemical …, 2012 - iopscience.iop.org
Molecular dynamics simulation has been performed to simulate the interaction between
PESA and the (001) face of anhydrite crystal CaSO 4 at different temperatures with the …
PESA and the (001) face of anhydrite crystal CaSO 4 at different temperatures with the …
Zeta potential on the anti-scalant modified sub-micro calcite surface
PQ Yuan, ZM Cheng, ZM Zhou, WK Yuan… - Colloids and Surfaces A …, 2008 - Elsevier
With the view of increasing the understanding to the anti-scaling mechanism in the
membrane process, zeta potential on the anti-scalant (Calgon and PAA) modified sub-micro …
membrane process, zeta potential on the anti-scalant (Calgon and PAA) modified sub-micro …
Quantitative Single Molecule Measurements on the Interaction Forces of Poly(l-glutamic acid) with Calcite Crystals
L Sonnenberg, Y Luo, H Schlaad, M Seitz… - Journal of the …, 2007 - ACS Publications
The interaction between poly (l-glutamic acid)(PLE) and calcite crystals was studied with
AFM-based single molecule force spectroscopy. Block copolymers of poly (ethylene …
AFM-based single molecule force spectroscopy. Block copolymers of poly (ethylene …
苯并三氮唑及其羧酸酯衍生物对铜缓蚀机理的分子动力学模拟研究
张曙光, 陈瑜, 王风云 - 化学学报, 2007 - sioc-journal.cn
摘要用分子动力学(MD) 方法, 模拟计算了5 种铜缓蚀剂[苯并三氮唑(BTA), 苯并三氮唑-5-
羧酸甲酯(MBTC), 苯并三氮唑-5-羧酸丁酯(BBTC), 苯并三氮唑-5-羧酸己酯(HBTC), 苯并三氮唑 …
羧酸甲酯(MBTC), 苯并三氮唑-5-羧酸丁酯(BBTC), 苯并三氮唑-5-羧酸己酯(HBTC), 苯并三氮唑 …
Molecular dynamics simulation of interaction between calcite crystal and phosphonic acid molecules
The interactions between calcite crystal and seven kinds of phosphonic acids, nitrilotris
(methylphosphonic acid)(NTMP), nitrilo‐methyl‐bis (methylphosphonic acid)(NMBMP), N, N …
(methylphosphonic acid)(NTMP), nitrilo‐methyl‐bis (methylphosphonic acid)(NMBMP), N, N …
Electrostatic potential on anti-scalants modified CaCO3 (104) surface: A molecular simulation study
PQ Yuan, N Kong, ZM Cheng, R Semiat - Desalination, 2009 - Elsevier
Molecular dynamics simulation and Density Functional Theory were used to investigate the
adsorption of two kinds of anti-scalant, ethane diphosphonic acid (EDPA) and polyether …
adsorption of two kinds of anti-scalant, ethane diphosphonic acid (EDPA) and polyether …