Simulating Transport of Soft Matter in Micro/Nano Channel Flows with Dissipative Particle Dynamics

Abstract

The flow-induced transport of various soft matter systems through a fluidic channel has recently attracted great interest due to its significance ranging from the understanding of several chemical and biological processes to potential industrial and technical applications. Dynamic simulation and modeling can yield an insight into the detailed conformational, dynamical, and transport properties of soft matter systems, which is necessary to understand the transport properties of biological macromolecules in living organisms. As a mesoscopic particles-based simulation technique, dissipative particle dynamics (DPD) has quickly been adopted as a promising approach for simulating dynamic and rheological properties of simple and complex fluids as well as the events taking place inside the fluidic channels. Here, the DPD method widely used in predicting the channel flow containing various soft matter systems is reviewed. The general aspect and basic formulations of DPD are introduced, and different boundary conditions are presented for wall-bounded flows. In addition, the models based on DPD developed to simulate flow-induced transport through fluidic channels for some typical soft matter systems are discussed, including red blood cells, vesicles, polymers, and biomacromolecules. Finally, the future directions to signify the framework in enhancing the design of novel functional systems and beyond are discussed.

Simulation of nano elastic polymer chain displacement under pressure gradient/electroosmotic flow with the target of less dispersion of transition

“…Considering second issue, the collision of fluid particle with nanoparticles or polymers and how they transfer is a significant challenge. In this regard, the transfer of polymer by microfluid and micropump has been studied by researchers to investigate various applications such as polymer chain transfer, DNA, separation and different species and blood cells 15 – 17 . One of the most important issues in transmission is the non-scattering of polymer or DNA chains with other materials, and transmission without scattering is very important 15 – 17 .…”

“…In this regard, the transfer of polymer by microfluid and micropump has been studied by researchers to investigate various applications such as polymer chain transfer, DNA, separation and different species and blood cells 15 – 17 . One of the most important issues in transmission is the non-scattering of polymer or DNA chains with other materials, and transmission without scattering is very important 15 – 17 . One case in point is the study of the behavior of polymer chains or their complex behavior in nano/microfluids.…”

Investigation of Magneto Hydro-Dynamics Effects on a Polymer Chain Transfer in Micro-Channel Using Dissipative Particle Dynamics Method

“…The translocation of polymers through nano/micro-scale passages is encountered in many biological processes in living cells or chemical processes such as DNA (Deoxyribonucleic acid) motion through narrow pores, protein translocation through cell membranes, and penetration of viruses into the cell nucleus. Knowledge of such processes can be beneficial in developing some technical analysis procedures concerning genomic partitioning and rapid DNA sequencing [1][2][3]. There are several ways to transfer polymer through narrow pores or micro channel including electroosmotic micro pump, magneto hydrodynamic method, and pressure driven flow [3].…”

Directional and Rotational Motions of Nanoparticles on Plasma Membranes as Local Probes of Surface Tension Propagation

“…18 Besides, understanding and control of the transport of NPs on plasma membranes are essential to their biomedical applications, ranging from biosensing to drug delivery. [19][20][21][22][23][24][25][26][27][28][29] In the past decades, both experimental and 4 computational efforts have been made in elucidation of the molecular mechanisms controlling interactions between NPs and plasma membranes. 23,24,27,[30][31][32][33] However, nearly all these previous studies have ignored the impact of mechanical heterogeneity, which is ubiquitous and an important aspect of real plasma membranes.…”

“…Engineered nanoparticles (NPs), owing to their varying physicochemical properties, are increasingly considered as simplified models of proteins for exploring biological activities on plasma membranes . Besides, understanding and control of the transport of NPs on plasma membranes are essential to their biomedical applications, ranging from biosensing to drug delivery. − In the past decades, both experimental and computational efforts have been made to elucidate molecular mechanisms controlling interactions between NPs and plasma membranes. ,,,− However, nearly all these previous studies have ignored the impact of mechanical heterogeneity, which is ubiquitous and an important aspect of real plasma membranes. Here, we present the first computational investigation on the inter-related processes of surface tension propagation, lipid diffusion, and transport of NPs on the plasma membrane, mimicking that of migrating cells or the cells under constant mechanical stimulation. , Our results show that surface tension is able to propagate efficiently through the membrane to reach a linear distribution along the gradient.…”