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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 105, 2007 - Issue 17-18
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Original Articles

Dependence of thermodynamic properties of model systems on some dissipative particle dynamics parameters

A. Gama Goicochea Centro de Investigación en Polímeros, Grupo COMEX, Marcos Achar Lobatón No. 2, Tepexpan, 55885 Acolman, Estado de México, MéxicoCorrespondence[email protected]
,
M. Romero-Bastida Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Avenida Universidad 1001, Chamilpa, Cuernavaca, Morelos 62209, México
&
R. López-Rendón Departamento de Química, Universidad Autónoma Metropolitana Iztapalapa, Av. San Rafael Atlixco 186, Colonia Vicentina, 09340, México D. F., México
Pages 2375-2381 | Received 15 Jun 2007, Accepted 08 Aug 2007, Published online: 01 Dec 2010

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Elnaz Zohravi, Ebrahim Shirani & Ahmadreza Pishevar. (2018) Influence of the conservative force on transport coefficients in the DPD method. Molecular Simulation 44:3, pages 254-261.
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Hossein Rezaei & Hamid Modarress. (2016) Dissipative Particle Dynamics Study of Interfacial Properties and the Effects of Nonionic Surfactants on Hydrocarbon/Water Microemulsions. Journal of Dispersion Science and Technology 37:7, pages 969-979.
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Siwei Meng, Jin Zhang, Yu Wang, Xiaotong Li, Chong Wu, Tengfei Hou, Lijia Xiao & Guiwu Lu. (2015) Simulating the rheology of surfactant solution using dissipative particle dynamics. Molecular Simulation 41:9, pages 772-778.
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Siwei Meng, Jin Zhang, Chong Wu, Ye Zhang, Qingxiang Xiao & Guiwu Lu. (2014) Dissipative particle dynamics simulations of surfactant CTAB in ethanol/water Mixture. Molecular Simulation 40:13, pages 1052-1058.
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Articles from other publishers (52)

Nikita V. Bushuev, Rustam A. Gumerov, Andrey A. Rudov & Igor I. Potemkin. (2023) Compression and Ordering of Hollow Microgels in Monolayers Formed at Liquid–Liquid Interfaces. Langmuir 39:35, pages 12420-12429.
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R. A. Gumerov, M. V. Anakhov & I. I. Potemkin. (2023) COMPUTER SIMULATION OF BIPHASIC CATALYTIC PROCESS IN PRESENCE OF POLYMER MICROGELS. Доклады Российской академии наук. Химия, науки о материалах 512:1, pages 130-136.
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M. V. Anakhov, R. A. Gumerov & I. I. Potemkin. (2023) Effect of Characteristics of Polymer Microgel Catalysts on the Efficiency of Interfacial Catalysis. Высокомолекулярные соединения С 65:1, pages 110-121.
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M. V. Anakhov, R. A. Gumerov & I. I. Potemkin. (2023) Effect of Characteristics of Polymer Microgel Catalysts on the Efficiency of Interfacial Catalysis. Polymer Science, Series C 65:1, pages 101-112.
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R. A. Gumerov, M. V. Anakhov & I. I. Potemkin. (2023) Computer Simulation of a Biphasic Catalytic Process in the Presence of Polymer Microgels. Doklady Physical Chemistry 512:1, pages 141-147.
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Sarah J. Gray, Martin Walker, Rachel Hendrikse & Mark R. Wilson. (2023) Investigating anionic surfactant phase diagrams using dissipative particle dynamics: development of a transferable model. Soft Matter 19:17, pages 3092-3103.
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Stepan I. Zholudev, Rustam A. Gumerov, Alexandra A. Larina & Igor I. Potemkin. (2023) Swelling, collapse and ordering of rod-like microgels in solution: Computer simulation studies. Journal of Colloid and Interface Science 629, pages 270-278.
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E. Mayoral, J. D. Hernández Velázquez & A. Gama Goicochea. (2022) The viscosity of polyelectrolyte solutions and its dependence on their persistence length, concentration and solvent quality. RSC Advances 12:55, pages 35494-35507.
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J. D. Hernández Velázquez, J. Santos-Santos & A. Gama Goicochea. (2022) The persistence length of linear surfactants modulates the self-assembly of reverse micelles and their diffusion in nonpolar solvents. Molecular Systems Design & Engineering 7:12, pages 1650-1657.
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Mohammadali Ahmadi, Ehsan Aliabadian, Benjieming Liu, Xuantong Lei, Pooneh Khalilpoorkordi, Qingfeng Hou, Yuanyuan Wang & Zhangxin Chen. (2022) Comprehensive review of the interfacial behavior of water/oil/surfactant systems using dissipative particle dynamics simulation. Advances in Colloid and Interface Science 309, pages 102774.
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Monika Choudhary & Syed Mohammad Kamil. (2022) Phase Diagram Study of Catanionic Surfactants Using Dissipative Particle Dynamics. ACS Omega 7:33, pages 29306-29325.
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E. Mayoral, J.A. Arcos-Casarrubias & A. Gama Goicochea. (2021) Self – assembly of model surfactants as reverse micelles in nonpolar solvents and their role as interfacial tension modifiers. Colloids and Surfaces A: Physicochemical and Engineering Aspects 615, pages 126244.
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E. Mayoral & A. Gama Goicochea. (2021) Modeling of Branched Thickening Polymers under Poiseuille Flow Gives Clues as to How to Increase a Solvent’s Viscosity. The Journal of Physical Chemistry B 125:6, pages 1692-1704.
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José Saúl Hernández-Fragoso, Salomón de Jesús Alas & Armando Gama Goicochea. (2020) Polymer Chains of a Large Persistence Length in a Polymer Brush Require a Lower Force to Be Compressed Than Chains with a Short Persistence Length. ACS Applied Polymer Materials 2:11, pages 5006-5013.
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R.A. Bustamante-Rendón, E. Pérez & A. Gama Goicochea. (2020) Comparing the efficiency of pure and mixed cationic and nonionic surfactants used in enhanced oil recovery by mesoscopic simulations. Fuel 277, pages 118287.
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Nikita V. Bushuev, Rustam A. Gumerov, Steffen Bochenek, Andrij Pich, Walter Richtering & Igor I. Potemkin. (2020) Compression and Ordering of Microgels in Monolayers Formed at Liquid–Liquid Interfaces: Computer Simulation Studies. ACS Applied Materials & Interfaces 12:17, pages 19903-19915.
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Liru Ma, Lei Bao, Dongdong Hu, Ling Zhao & Tao Liu. (2020) Effect of interfacial properties on the stability of ultra-dry CO2-in-water (C/W) foams stabilized with zwitterionic surfactants and nonionic/anionic polymers: Experimental and DPD simulation. The Journal of Supercritical Fluids 158, pages 104722.
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Fatemeh Goodarzi, Javad Kondori, Nima Rezaei & Sohrab Zendehboudi. (2019) Meso- and molecular-scale modeling to provide new insights into interfacial and structural properties of hydrocarbon/water/surfactant systems. Journal of Molecular Liquids 295, pages 111357.
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Abeer Khedr & Alberto Striolo. (2019) Quantification of Ostwald Ripening in Emulsions via Coarse-Grained Simulations. Journal of Chemical Theory and Computation 15:9, pages 5058-5068.
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Ketzasmin Armando Terrón-Mejía, Inocencio Higuera-Ciapara, Evelin Martínez-Benavidez, Javier Hernández & Roberto López-Rendón. 2019. Liposomes - Advances and Perspectives. Liposomes - Advances and Perspectives.
Armando Gama Goicochea & Abbas Firoozabadi. (2019) Atomistic and Mesoscopic Simulations of the Structure of CO 2 with Fluorinated and Nonfluorinated Copolymers . The Journal of Physical Chemistry C 123:27, pages 17010-17018.
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R. Catarino Centeno, M.A. Balderas Altamirano, E. Pérez & A. Gama Goicochea. (2019) The role of solvent quality, inhomogeneous polymer brush composition, grafting density and number of free chains on the viscosity, friction between surfaces, and their scaling laws. Chemical Physics Letters 722, pages 124-131.
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Thomas D. Potter, Jos Tasche & Mark R. Wilson. (2019) Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixtures. Physical Chemistry Chemical Physics 21:4, pages 1912-1927.
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Abeer Khedr & Alberto Striolo. (2018) DPD Parameters Estimation for Simultaneously Simulating Water–Oil Interfaces and Aqueous Nonionic Surfactants. Journal of Chemical Theory and Computation 14:12, pages 6460-6471.
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David Steinmetz, Benoit Creton, Véronique Lachet, Bernard Rousseau & Carlos Nieto-Draghi. (2018) Simulations of Interfacial Tension of Liquid–Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models. Journal of Chemical Theory and Computation 14:8, pages 4438-4454.
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Xuejian Deng, Yu Yang, Yue Ma, Xiaoliang Sun, Guanggang Zhou, Haicheng Wu & Guiwu Lu. (2018) Self-assembled structure of sulfonic gemini surfactant solution. AIP Advances 8:7.
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Yixuan Du, Xiaowei Zhang & Yunbo Li. (2018) Solvents induce phase separation for fabrication of Janus hybrid nanoparticles: A dissipative particle dynamics simulation. Computational Materials Science 141, pages 221-228.
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R. Catarino Centeno, R. A. Bustamante-Rendón, J. S. Hernández-Fragoso, I. Arroyo-Ordoñez, E. Pérez, S. J. Alas & A. Gama Goicochea. (2017) Surfactant chain length and concentration influence on the interfacial tension of two immiscible model liquids: a coarse–grained approach. Journal of Molecular Modeling 23:11.
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J.D. Hernández Velázquez, S. Mejía-Rosales & A. Gama Goicochea. (2017) Nanorheology of poly - and monodispersed polymer brushes under oscillatory flow as models of epithelial cancerous and healthy cell brushes. Polymer 129, pages 44-56.
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Ketzasmin A Terrón-Mejía, Roberto López-Rendón & Armando Gama Goicochea. (2016) Electrostatics in dissipative particle dynamics using Ewald sums with point charges. Journal of Physics: Condensed Matter 28:42, pages 425101.
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Hossein Rezaei, Sepideh Amjad-Iranagh & Hamid Modarress. (2016) Self-Accumulation of Uncharged Polyaromatic Surfactants at Crude Oil–Water Interface: A Mesoscopic DPD Study. Energy & Fuels 30:8, pages 6626-6639.
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A. Gama Goicochea, R. López-Esparza, M.A. Balderas Altamirano, E. Rivera-Paz, M.A. Waldo-Mendoza & E. Pérez. (2016) Friction coefficient and viscosity of polymer brushes with and without free polymers as slip agents. Journal of Molecular Liquids 219, pages 368-376.
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Ketzasmin A. Terrón-Mejía, Roberto López-Rendón & Armando Gama Goicochea. 2016. High Performance Computer Applications. High Performance Computer Applications 447 460 .
J. D. Hernández Velázquez, S. Mejía-Rosales & Armando Gama Goicochea. 2016. High Performance Computer Applications. High Performance Computer Applications 432 446 .
Fabián A. García Daza, Alexander J. Colville & Allan D. Mackie. (2015) Chain architecture and micellization: A mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants. The Journal of Chemical Physics 142:11.
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A. Gama Goicochea, M.A. Balderas Altamirano, J.D. Hernández & E. Pérez. (2015) The role of the dissipative and random forces in the calculation of the pressure of simple fluids with dissipative particle dynamics. Computer Physics Communications 188, pages 76-81.
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R. López-Esparza, M. A. Balderas Altamirano, E. Pérez & A. Gama Goicochea. (2015) Importance of Molecular Interactions in Colloidal Dispersions. Advances in Condensed Matter Physics 2015, pages 1-8.
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Song Xiao, Hsuan-Yi Chen, Yu-Jane Sheng & Heng-Kwong Tsao. (2015) Induced polar order in sedimentation equilibrium of rod-like nanoswimmers. Soft Matter 11:12, pages 2416-2422.
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Hossein Rezaei & Hamid Modarress. (2015) Dissipative particle dynamics (DPD) study of hydrocarbon–water interfacial tension (IFT). Chemical Physics Letters 620, pages 114-122.
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Kaihang Shi, Cheng Lian, Zhishan Bai, Shuangliang Zhao & Honglai Liu. (2015) Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants. Chemical Engineering Science 122, pages 185-196.
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C. Pastorino & A. Gama Goicochea. 2015. Selected Topics of Computational and Experimental Fluid Mechanics. Selected Topics of Computational and Experimental Fluid Mechanics 51 79 .
Zhaohuan Mai, Estelle Couallier, Mohammed Rakib & Bernard Rousseau. (2014) Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates. The Journal of Chemical Physics 140:20.
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A. Gama Goicochea, E. Mayoral, J. Klapp & C. Pastorino. (2014) Nanotribology of biopolymer brushes in aqueous solution using dissipative particle dynamics simulations: an application to PEG covered liposomes in a theta solvent. Soft Matter 10:1, pages 166-174.
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Armando Gama Goicochea. 2014. Experimental and Computational Fluid Mechanics. Experimental and Computational Fluid Mechanics 433 447 .
F. Alarcón, G. Pérez-Hernández, E. Pérez & A. Gama Goicochea. (2013) Coarse-grained simulations of the salt dependence of the radius of gyration of polyelectrolytes as models for biomolecules in aqueous solution. European Biophysics Journal 42:9, pages 661-672.
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E. Deguillard, N. Pannacci, B. Creton & B. Rousseau. (2013) Interfacial tension in oil–water–surfactant systems: On the role of intra-molecular forces on interfacial tension values using DPD simulations. The Journal of Chemical Physics 138:14.
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E. Mayoral & A. Gama Goicochea. (2013) Modeling the temperature dependent interfacial tension between organic solvents and water using dissipative particle dynamics. The Journal of Chemical Physics 138:9.
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Sergei F. Burlatsky, Vadim V. Atrazhev, Dmitry V. Dmitriev, Vadim I. Sultanov, Elena N. Timokhina, Elena A. Ugolkova, Sonia Tulyani & Antonio Vincitore. (2013) Surface tension model for surfactant solutions at the critical micelle concentration. Journal of Colloid and Interface Science 393, pages 151-160.
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F. Alarcón, E. Pérez & A. Gama Goicochea. (2013) Dissipative particle dynamics simulations of weak polyelectrolyte adsorption on charged and neutral surfaces as a function of the degree of ionization. Soft Matter 9:14, pages 3777.
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E. Mayoral & E. Nahmad-Achar. (2012) Study of interfacial tension between an organic solvent and aqueous electrolyte solutions using electrostatic dissipative particle dynamics simulations. The Journal of Chemical Physics 137:19.
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E. MOEENDARBARY, T. Y. NG & M. ZANGENEH. (2012) DISSIPATIVE PARTICLE DYNAMICS IN SOFT MATTER AND POLYMERIC APPLICATIONS — A REVIEW. International Journal of Applied Mechanics 02:01, pages 161-190.
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Baogen Duan, Xiongfei Zhang, Baofu Qiao, Bin Kong & Xiaozhen Yang. (2009) Description of Ionic Surfactant/Water System by Adjusting Mesoscopic Parameters. The Journal of Physical Chemistry B 113:26, pages 8854-8859.
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