Literature DB >> 17052165

Density-functional theory for complex fluids.

Jianzhong Wu1, Zhidong Li.   

Abstract

Density-functional theory (DFT) and its variations provide a fruitful approach to the computational modeling of the microscopic structures and phase behavior of soft-condensed matter. The methodology takes deep root in quantum mechanics but shares a mathematical similarity with a number of classical approaches in statistical mechanics. This review discusses different strategies commonly used to formulate the free-energy functional of complex fluids for either phenomena-oriented applications or as a generic description of the thermodynamic nonideality owing to various components of intermolecular forces. We emphasize the connections among different schemes of DFT approximations, their underlying assumptions, and inherent limitations. We also address extensions of equilibrium DFT to phenomenological theories for the dynamic properties of complex fluids and for the kinetics of phase transitions. In addition, we highlight the recent literature concerning applications of DFT to diverse static and time-dependent phenomena in complex fluids.

Year:  2007        PMID: 17052165     DOI: 10.1146/annurev.physchem.58.032806.104650

Source DB:  PubMed          Journal:  Annu Rev Phys Chem        ISSN: 0066-426X            Impact factor:   12.703


  16 in total

1.  Generalized fundamental measure theory for atomistic modeling of macromolecular crowding.

Authors:  Sanbo Qin; Huan-Xiang Zhou
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2010-03-26

2.  The Role of Correlation and Solvation in Ion Interactions with B-DNA.

Authors:  Maria L Sushko; Dennis G Thomas; Suzette A Pabit; Lois Pollack; Alexey V Onufriev; Nathan A Baker
Journal:  Biophys J       Date:  2016-01-19       Impact factor: 4.033

3.  Osmotic pressure and packaging structure of caged DNA.

Authors:  Zhidong Li; Jianzhong Wu; Zhen-Gang Wang
Journal:  Biophys J       Date:  2007-09-21       Impact factor: 4.033

4.  Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory.

Authors:  Jia Fu; Yu Liu; Jianzhong Wu
Journal:  J Comput Aided Mol Des       Date:  2014-03-13       Impact factor: 3.686

5.  Interaction of colloidal nanoparticles with their local environment: the (ionic) nanoenvironment around nanoparticles is different from bulk and determines the physico-chemical properties of the nanoparticles.

Authors:  Christian Pfeiffer; Christoph Rehbock; Dominik Hühn; Carolina Carrillo-Carrion; Dorleta Jimenez de Aberasturi; Vivian Merk; Stephan Barcikowski; Wolfgang J Parak
Journal:  J R Soc Interface       Date:  2014-04-23       Impact factor: 4.118

6.  Multiscale Multiphysics and Multidomain Models I: Basic Theory.

Authors:  Guo-Wei Wei
Journal:  J Theor Comput Chem       Date:  2013-12       Impact factor: 0.939

7.  Predicting electrostatic forces in RNA folding.

Authors:  Zhi-Jie Tan; Shi-Jie Chen
Journal:  Methods Enzymol       Date:  2009-11-17       Impact factor: 1.600

8.  A theoretical model for the dynamic structure of hepatitis B nucleocapsid.

Authors:  Dong Meng; Rex P Hjelm; Jianming Hu; Jianzhong Wu
Journal:  Biophys J       Date:  2011-11-15       Impact factor: 4.033

9.  Electrostatic regulation of genome packaging in human hepatitis B virus.

Authors:  Tao Jiang; Zhen-Gang Wang; Jianzhong Wu
Journal:  Biophys J       Date:  2009-04-22       Impact factor: 4.033

10.  A theoretical study of SRPK interaction with the flexible domains of hepatitis B capsids.

Authors:  Jehoon Kim; Jianzhong Wu
Journal:  Biophys J       Date:  2014-09-16       Impact factor: 4.033

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.