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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 102, 2004 - Issue 2: Special Issue: Foundations of Molecular Modelling and Simulation FOMMS 2003 Part I
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Original Articles

Computer-assisted design of oil additives: hydrate and wax inhibitors

D. M. Duffy † Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK
,
C. Moon Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK
&
P. M. Rodger Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK
Pages 203-210 | Received 06 Jul 2003, Accepted 20 Nov 2003, Published online: 21 Aug 2006

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Fei Yang, Yansong Zhao, Johan Sjöblom, Chuanxian Li & KristoferG. Paso. (2015) Polymeric Wax Inhibitors and Pour Point Depressants for Waxy Crude Oils: A Critical Review. Journal of Dispersion Science and Technology 36:2, pages 213-225.
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Articles from other publishers (29)

Wei Zhang, Jianyi Liu, Yuzhu Xu, Yimin Wen, Hua Yuan & Zhibin Liu. (2023) Molecular dynamics simulation of the diffusion crystallization mechanism of the binary alkane mixture nC5H12–nC24H50 under the water-wetting condition of a pipe wall. Chemical Physics Letters 825, pages 140569.
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Hengguang Cao, Xuewen Cao, Xiangyang Zhao, Dan Guo, Yang Liu & Jiang Bian. (2022) Molecular dynamics simulation of wax molecules aggregational crystallization behavior during cooling of crude oil mixture. Case Studies in Thermal Engineering 37, pages 102298.
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Marwa R. Elkatory, Emad A. Soliman, Ahmed El Nemr, Mohamed A. Hassaan, Safaa Ragab, Mohamed A. El-Nemr & Antonio Pantaleo. (2022) Mitigation and Remediation Technologies of Waxy Crude Oils’ Deposition within Transportation Pipelines: A Review. Polymers 14:16, pages 3231.
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Xiluo Hao, Chengfeng Li, Changling Liu, Qingguo Meng & Jianye Sun. (2022) The performance of OPC water model in prediction of the phase equilibria of methane hydrate. The Journal of Chemical Physics 157:1.
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Luke I. Chambers, Amy V. Hall, Osama M. Musa & Jonathan W. Steed. 2021. Handbook of Pyrrolidone and Caprolactam Based Materials. Handbook of Pyrrolidone and Caprolactam Based Materials 1127 1169 .
Hongmei Xu, Yanpu Wang & Kun Wang. (2021) Review on the gelation of wax and pour point depressant in crude oil multiphase system. International Journal of Modern Physics B 35:12, pages 2130005.
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David J. Bray, Richard L. Anderson, Patrick B. Warren & Kenneth Lewtas. (2020) Wax Formation in Linear and Branched Alkanes with Dissipative Particle Dynamics. Journal of Chemical Theory and Computation 16:11, pages 7109-7122.
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Yifan Gan, Qinglin Cheng, Zhihua Wang, Jinwei Yang, Wei Sun & Yang Liu. (2019) Molecular dynamics simulation of the microscopic mechanisms of the dissolution, diffusion and aggregation processes for waxy crystals in crude oil mixtures. Journal of Petroleum Science and Engineering 179, pages 56-69.
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Felipe Jiménez-Ángeles & Abbas Firoozabadi. (2018) Hydrophobic Hydration and the Effect of NaCl Salt in the Adsorption of Hydrocarbons and Surfactants on Clathrate Hydrates. ACS Central Science 4:7, pages 820-831.
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Anshul Dubey, Yuandao Chi & Nagu Daraboina. (2017) Investigating the Performance of Paraffin Inhibitors under Different Operating Conditions. Investigating the Performance of Paraffin Inhibitors under Different Operating Conditions.
Bo Yao, Lu Wang, Fei Yang, Chuanxian Li & Yansong Zhao. (2016) Effect of Vinyl-Acetate Moiety Molar Fraction on the Performance of Poly(Octadecyl Acrylate-Vinyl Acetate) Pour Point Depressants: Experiments and Mesoscopic Dynamics Simulation. Energy & Fuels 31:1, pages 448-457.
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Yuandao Chi, Nagu Daraboina & Cem Sarica. (2016) Investigation of inhibitors efficacy in wax deposition mitigation using a laboratory scale flow loop. AIChE Journal 62:11, pages 4131-4139.
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Paul A. OluwunmiAaron R. FinneyP. Mark Rodger. (2015) Molecular dynamics screening for new kinetic inhibitors of methane hydrate. Canadian Journal of Chemistry 93:9, pages 1043-1049.
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Keyu Liu, Shuichang Zhang, Shaobo Liu & Hua Tian. 2015. Fundamentals of Gas Shale Reservoirs. Fundamentals of Gas Shale Reservoirs 325 339 .
Vasileios K. Michalis, Joseph Costandy, Ioannis N. Tsimpanogiannis, Athanassios K. Stubos & Ioannis G. Economou. (2015) Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology. The Journal of Chemical Physics 142:4, pages 044501.
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Bernard P. Binks, Paul D. I. Fletcher, Noel A. Roberts, John Dunkerley, Hannah Greenfield, Antonio Mastrangelo & Kieran Trickett. (2015) How polymer additives reduce the pour point of hydrocarbon solvents containing wax crystals. Physical Chemistry Chemical Physics 17:6, pages 4107-4117.
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Ararimeh Aiyejina, Dhurjati Prasad Chakrabarti, Angelus Pilgrim & M.K.S. Sastry. (2011) Wax formation in oil pipelines: A critical review. International Journal of Multiphase Flow 37:7, pages 671-694.
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Junfang Zhang & Zhejun Pan. (2011) Effect of potential energy on the formation of methane hydrate. Journal of Petroleum Science and Engineering 76:3-4, pages 148-154.
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Yen-Tien Tung, Li-Jen Chen, Yan-Ping Chen & Shiang-Tai Lin. (2010) The Growth of Structure I Methane Hydrate from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 114:33, pages 10804-10813.
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M. M. Conde & C. Vega. (2010) Determining the three-phase coexistence line in methane hydrates using computer simulations. The Journal of Chemical Physics 133:6, pages 064507.
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Malcolm Kelland. 2009. Production Chemicals for the Oil and Gas Industry. Production Chemicals for the Oil and Gas Industry.
Junfang Zhang, Yong Guo, Ye Yang & Karen Kozielski. (2009) A molecular dynamic study of water/methane/propane. Journal of Physics B: Atomic, Molecular and Optical Physics 42:3, pages 035302.
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Junfang Zhang, R. W. Hawtin, Ye Yang, Edson Nakagava, M. Rivero, S. K. Choi & P. M. Rodger. (2008) Molecular Dynamics Study of Methane Hydrate Formation at a Water/Methane Interface. The Journal of Physical Chemistry B 112:34, pages 10608-10618.
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Robert W. Hawtin, David Quigley & P. Mark Rodger. (2008) Gas hydrate nucleation and cage formation at a water/methane interface. Physical Chemistry Chemical Physics 10:32, pages 4853.
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Michael Senra, Ekarit Panacharoensawad, Kriangkrai Kraiwattanawong, Probjot Singh & H. Scott Fogler. (2007) Role of n -Alkane Polydispersity on the Crystallization of n -Alkanes from Solution . Energy & Fuels 22:1, pages 545-555.
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Yun Hee Jang, Mario Blanco, Jefferson Creek, Yongchun Tang & William A. Goddard. (2007) Wax Inhibition by Comb-like Polymers:  Support of the Incorporation−Perturbation Mechanism from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 111:46, pages 13173-13179.
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Mariana Barcenas & Yurko Duda. (2007) Irreversible colloidal agglomeration in presence of associative inhibitors: Computer simulation study. Physics Letters A 365:5-6, pages 454-457.
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C. Moon, R. W. Hawtin & P. Mark Rodger. (2007) Nucleation and control of clathrate hydrates: insights from simulation. Faraday Discussions 136, pages 367.
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Robert W. Hawtin & P. Mark Rodger. (2006) Polydispersity in oligomeric low dosage gas hydrate inhibitors. Journal of Materials Chemistry 16:20, pages 1934.
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