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 …

Carboxylate-terminated double-hydrophilic block copolymer as an effective and environmental inhibitor in cooling water systems

L Ling, Y Zhou, J Huang, Q Yao, G Liu, P Zhang, W Sun… - Desalination, 2012 - Elsevier
In an attempt to control Ca3 (PO4) 2, CaCO3, and CaSO4 deposits in industrial recycling
water systems, an acrylic acid (AA)-allyloxy poly (ethylene glycol) polyglycerol carboxylate …

Molecular dynamics simulation of interaction between calcite crystal and phosphonic acid molecules

J Zeng, S Zhang, X Gong… - Chinese Journal of …, 2010 - Wiley Online Library
The interactions between calcite crystal and seven kinds of phosphonic acids, nitrilotris
(methylphosphonic acid)(NTMP), nitrilo‐methyl‐bis (methylphosphonic acid)(NMBMP), N, N …

多氨基多醚基亚甲基膦酸的合成及其阻垢机理的MD 模拟

雷武, 张曙光, 夏明珠, 王风云 - 化学学报, 2006 - sioc-journal.cn
摘要以端氨基聚醚, 亚磷酸, 甲醛, 浓盐酸等为原料合成了新型水处理剂多氨基多醚基亚甲基膦酸
(PAPEMP), 并通过红外, 核磁等手段对产品进行了表征. 采用分子动力学(MD) 模拟退火方法 …

水溶性聚合物与硬石膏晶体相互作用的分子动力学模拟

张曙光, 王风云, 雷武, 夏明珠 - 化学学报, 2007 - sioc-journal.cn
摘要用分子动力学(MD) 方法, 模拟计算了6 种水溶性聚合物阻垢剂{聚丙烯酸(PAA),
聚甲基丙烯酸(PMAA), 丙烯酸-丙烯酸甲酯共聚物[P (AA-co-MAE)], 丙烯酸 …

Molecular dynamics simulation the hydroxyapatite scale inhibition mechanism of water-soluble polymers

SG Zhang, FY Wang, XY Tan - Journal of Theoretical and …, 2010 - World Scientific
Molecular dynamics (MD) method was used to simulate the interaction between water-
soluble polymers, such as polyacrylic acid (PAA), polymethylacrylic acid (PMAA), acrylic …

Synthesis of new phosphate and the evaluation as scale inhibitor in oilfield

RJ Xu, H HE, J Wang, H HUI, Q LIU - Key Engineering Materials, 2019 - Trans Tech Publ
Compared with inorganic phosphonates, organic phosphonates have better chemical
stability in water treatment, and are not easy to hydrolyze in higher temperature and wider …

Molecular dynamics simulation of interaction between water-soluble polymers and anhydrite crystal

SG ZHANG, FY WANG, W LEI, MZ XIA - Acta Chimica Sinica, 2007 - sioc-journal.cn
The interactions between six kinds of water-soluble polymers, polyacrylic acid (PAA),
polymethacrylic acid (PMAA), acrylic acid-methyl acrylate copolymer [P (AA-co-MAE)] …

Synthesis and molecular dynamics simulation of anti-scaling mechanism for polyether polyamino methylene phosphonates

W LEI, SG ZHANG, MZ XIA, FY WANG - Acta Chimica Sinica, 2006 - sioc-journal.cn
Polyether polyamino methylene phosphonates (PAPEMP), a new type of reagent for water
treatment, was synthesized from polyoxypropylene-diamine, phosphorous acid …

[引用][C] 羧酸膦酸型化合物的阻垢缓蚀性能的量子化学研究

支微, 陈瑜, 张曙光, 夏明珠, 雷武, 吕志敏, 王风云 - 计算机与应用化学, 2007