Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures

• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website. • The final author version ...

متن کامل

Dissipative particle dynamics simulations of polymersomes.

A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations...

متن کامل

Reptational dynamics in dissipative particle dynamics simulations of polymer melts.

Understanding the fundamental properties of polymeric liquids remains a challenge in materials science and soft matter physics. Here, we present a simple and computationally efficient criterion for topological constraints, i.e., uncrossability of chains, in polymeric liquids using the dissipative particle dynamics (DPD) method. No new length scales or forces are added. To demonstrate that this ...

متن کامل

Constant-pressure simulations with dissipative particle dynamics.

Dissipative particle dynamics (DPD) is a mesoscopic simulation method for studying hydrodynamic behavior of complex fluids. Ideally, a mesoscopic model should correctly represent the thermodynamic and hydrodynamic properties of a real system beyond certain length and time scales. Traditionally defined DPD quite successfully mimics hydrodynamics but is not flexible enough to accurately describe ...

متن کامل

Dissipative particle dynamics simulations on inversion dynamics of spherical micelles.

We simulate the inversion process of a spherical micelle composed of symmetric diblock copolymers by means of dissipative particle dynamics. The evolution of micelle morphology reveals that the inversion is a two-staged process, in which a rapid agglomeration of outer lyophobic blocks occurs first, followed by a slow penetration of inner lyophilic blocks through the porous lyophobic layer. Calc...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2002

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.1515774