Osmosis in small pores: a molecular dynamics study of the mechanism of solvent transport

2005 ◽  
Vol 461 (2053) ◽  
pp. 273-296 ◽  
Author(s):  
K. S. Kim ◽  
I. S. Davis ◽  
P. A. Macpherson ◽  
T. J. Pedley ◽  
A. E. Hill
Keyword(s):  
Molecular Dynamics ◽  
Flow Rate ◽  
Low Flow ◽  
Transport Parameters ◽  
Concentration Gradients ◽  
Cylindrical Pore ◽  
Osmotic Flow ◽  
Energy Gradient ◽  
Pressure Flows ◽  
Asymmetric Pores

Osmosis through semi–permeable pores is a complex process by which solvent is driven by its free energy gradient towards a solute–rich reservoir. We have studied osmotic flow across a semi–permeable cylindrical pore using hard–sphere molecular dynamics which simulates osmosis in the absence of attractive forces between solute and solvent. In addition, we recorded the rates of pressure–driven solvent flow and the diffusive flow of labelled solvent under concentration gradients. It is apparent that there are differences, which are radius dependent, between viscous and diffusive solvent permeabilities in small pores. The osmotic flow rate is decreased by allowing solute entry into part of the pore, an effect which is not due to solute obstruction. The flow rate is dependent on the structure of the pore, which for asymmetric pores leads, surprisingly, to flow asymmetry or osmotic rectification. In the absence of any possible viscous rectification at these very low flow rates the effect correlates with changes between diffusive and pressure flows created by the presence of solute, an effect which has been predicted from thermodynamic arguments. The geometry of a semi–permeable pore in relation to the solute size is therefore required to predict the osmotic flow rate, a departure from the classical picture. Finally, by extracting transport parameters from simulations with pure solvent, we examine the departure of observed flow rate from that predicted by continuum mechanics, obtaining drag coefficients which we compare with those derived from hydrodynamics alone.

Osmosis in semi-permeable pores: an examination of the basic flow equations based on an experimental and molecular dynamics study

2007 ◽  
Vol 463 (2079) ◽  
pp. 881-896 ◽  
Author(s):  
I.S Davis ◽  
B Shachar-Hill ◽  
M.R Curry ◽  
K.S Kim ◽  
T.J Pedley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Flow Rate ◽  
Order Effect ◽  
Hydraulic Conductance ◽  
Flow Coefficient ◽  
Dynamics Simulation ◽  
Flow Equations ◽  
Osmotic Flow ◽  
Rate Dependent ◽  
The Difference

Classically ‘semi-permeable’ pores are generally considered to mediate osmotic flow at a rate dependent upon the hydraulic conductance of the pore and the difference in water potential. The shape or size of the solute molecules is not considered to exert a first-order effect on the flow rate nor is the hydraulic conductance thought to be solute dependent. By the experimental measurement of osmosis in the biological pore AQP (aquaporin) and hard-sphere molecular dynamics simulation of a model pore, we show here that the solute radius can have a profound effect on the osmotic flow rate, causing it to decline steeply with decreasing solute radius. Using a simple non-equilibrium thermodynamic theory, we propose that an additional ‘osmotic flow coefficient’ is required to describe flows in semi-permeable structures such as AQPs, and that the fall in flow rate with radius represents a conversion from hydraulic to diffusive water flow due to increasing penetration of the pore by the solute. The interaction between the pore geometry and the solute size cannot, therefore, be overlooked, although for every solute the system obeys the criterion for semi-permeability required by basic thermodynamics. The osmotic pore theory therefore reveals a novel and potentially rich structure that remains to be explored in full.

scholarly journals A Numerical Study of Sub-Millisecond Integrated Mix-and-Inject Microfluidic Devices for Sample Delivery at Synchrotron and XFELs

2021 ◽  
Vol 11 (8) ◽  
pp. 3404
Author(s):  
Majid Hejazian ◽  
Eugeniu Balaur ◽  
Brian Abbey
Keyword(s):  
Molecular Dynamics ◽  
Flow Rate ◽  
Numerical Study ◽  
Three Dimensional ◽  
Microfluidic Devices ◽  
Liquid Jets ◽  
Mixing Efficiency ◽  
X Ray Diffraction ◽  
Cross Sectional ◽  
Time Required

Microfluidic devices which integrate both rapid mixing and liquid jetting for sample delivery are an emerging solution for studying molecular dynamics via X-ray diffraction. Here we use finite element modelling to investigate the efficiency and time-resolution achievable using microfluidic mixers within the parameter range required for producing stable liquid jets. Three-dimensional simulations, validated by experimental data, are used to determine the velocity and concentration distribution within these devices. The results show that by adopting a serpentine geometry, it is possible to induce chaotic mixing, which effectively reduces the time required to achieve a homogeneous mixture for sample delivery. Further, we investigate the effect of flow rate and the mixer microchannel size on the mixing efficiency and minimum time required for complete mixing of the two solutions whilst maintaining a stable jet. In general, we find that the smaller the cross-sectional area of the mixer microchannel, the shorter the time needed to achieve homogeneous mixing for a given flow rate. The results of these simulations will form the basis for optimised designs enabling the study of molecular dynamics occurring on millisecond timescales using integrated mix-and-inject microfluidic devices.

scholarly journals Backflow effects on mass flow gain factor in a centrifugal pump

2021 ◽  
Vol 104 (2) ◽  
pp. 003685042199886
Author(s):  
Wenzhe Kang ◽  
Lingjiu Zhou ◽  
Dianhai Liu ◽  
Zhengwei Wang
Keyword(s):  
Centrifugal Pump ◽  
Mass Flow ◽  
Flow Rate ◽  
Low Frequency ◽  
Gain Factor ◽  
Low Flow ◽  
Cavity Volume ◽  
Cavitating Flows ◽  
Inlet Tube ◽  
Low Flow Rate

Previous researches has shown that inlet backflow may occur in a centrifugal pump when running at low-flow-rate conditions and have nonnegligible effects on cavitation behaviors (e.g. mass flow gain factor) and cavitation stability (e.g. cavitation surge). To analyze the influences of backflow in impeller inlet, comparative studies of cavitating flows are carried out for two typical centrifugal pumps. A series of computational fluid dynamics (CFD) simulations were carried out for the cavitating flows in two pumps, based on the RANS (Reynolds-Averaged Naiver-Stokes) solver with the turbulence model of k- ω shear stress transport and homogeneous multiphase model. The cavity volume in Pump A (with less reversed flow in impeller inlet) decreases with the decreasing of flow rate, while the cavity volume in Pump B (with obvious inlet backflow) reach the minimum values at δ = 0.1285 and then increase as the flow rate decreases. For Pump A, the mass flow gain factors are negative and the absolute values increase with the decrease of cavitation number for all calculation conditions. For Pump B, the mass flow gain factors are negative for most conditions but positive for some conditions with low flow rate coefficients and low cavitation numbers, reaching the minimum value at condition of σ = 0.151 for most cases. The development of backflow in impeller inlet is found to be the essential reason for the great differences. For Pump B, the strong shearing between backflow and main flow lead to the cavitation in inlet tube. The cavity volume in the impeller decreases while that in the inlet tube increases with the decreasing of flow rate, which make the total cavity volume reaches the minimum value at δ = 0.1285 and then the mass flow gain factor become positive. Through the transient calculations for cavitating flows in two pumps, low-frequency fluctuations of pressure and flow rate are found in Pump B at some off-designed conditions (e.g. δ = 0.107, σ = 0.195). The relations among inlet pressure, inlet flow rate, cavity volume, and backflow are analyzed in detail to understand the periodic evolution of low-frequency fluctuations. Backflow is found to be the main reason which cause the positive value of mass flow gain factor at low-flow-rate conditions. Through the transient simulations of cavitating flow, backflow is considered as an important aspect closely related to the hydraulic stability of cavitating pumping system.

Assessment of the Use of Humidified Nasal Cannulas for Oxygen Therapy in Patients with Epistaxis

ORL ◽  
2021 ◽  
pp. 1-5
Author(s):  
Jingjing Liu ◽  
Tengfang Chen ◽  
Zhenggang Lv ◽  
Dezhong Wu
Keyword(s):  
Flow Rate ◽  
Oxygen Therapy ◽  
Preliminary Investigation ◽  
Nasal Cannula ◽  
Low Flow ◽  
Antiplatelet Drugs ◽  
Flow Rates ◽  
The Past ◽  
Oxygen Inhalation ◽  
Significant Difference

<b><i>Introduction:</i></b> In China, nasal cannula oxygen therapy is typically humidified. However, it is difficult to decide whether to suspend nasal cannula oxygen inhalation after the nosebleed has temporarily stopped. Therefore, we conducted a preliminary investigation on whether the use of humidified nasal cannulas in our hospital increases the incidence of epistaxis. <b><i>Methods:</i></b> We conducted a survey of 176,058 inpatients in our hospital and other city branches of our hospital over the past 3 years and obtained information concerning their use of humidified nasal cannulas for oxygen inhalation, nonhumidified nasal cannulas, anticoagulant and antiplatelet drugs, and oxygen inhalation flow rates. This information was compared with the data collected at consultation for epistaxis during these 3 years. <b><i>Results:</i></b> No significant difference was found between inpatients with humidified nasal cannulas and those without nasal cannula oxygen therapy in the incidence of consultations due to epistaxis (χ<sup>2</sup> = 1.007, <i>p</i> &#x3e; 0.05). The same trend was observed among hospitalized patients using anticoagulant and antiplatelet drugs (χ<sup>2</sup> = 2.082, <i>p</i> &#x3e; 0.05). Among the patients with an inhaled oxygen flow rate ≥5 L/min, the incidence of ear-nose-throat (ENT) consultations due to epistaxis was 0. No statistically significant difference was found between inpatients with a humidified oxygen inhalation flow rate &#x3c;5 L/min and those without nasal cannula oxygen therapy in the incidence of ENT consultations due to epistaxis (χ<sup>2</sup> = 0.838, <i>p</i> &#x3e; 0.05). A statistically significant difference was observed in the incidence of ENT consultations due to epistaxis between the low-flow nonhumidified nasal cannula and nonnasal cannula oxygen inhalation groups (χ<sup>2</sup> = 18.428, <i>p</i> &#x3c; 0.001). The same trend was observed between the 2 groups of low-flow humidified and low-flow nonhumidified nasal cannula oxygen inhalation (χ<sup>2</sup> = 26.194, <i>p</i> &#x3c; 0.001). <b><i>Discussion/Conclusion:</i></b> Neither high-flow humidified nasal cannula oxygen inhalation nor low-flow humidified nasal cannula oxygen inhalation will increase the incidence of recurrent or serious epistaxis complications; the same trend was observed for patients who use anticoagulant and antiplatelet drugs. Humidification during low-flow nasal cannula oxygen inhalation can prevent severe and repeated epistaxis to a certain extent.

scholarly journals Effect of Air Injection on the Internal Flow Characteristics in the Draft Tube of a Francis Turbine Model

Processes ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 1182
Author(s):  
Seung-Jun Kim ◽  
Yong Cho ◽  
Jin-Hyuk Kim
Keyword(s):  
Flow Rate ◽  
Draft Tube ◽  
Pressure Fluctuations ◽  
Flow Characteristics ◽  
Internal Flow ◽  
Air Injection ◽  
Low Flow ◽  
Francis Turbine ◽  
Navier Stokes ◽  
Vortex Rope

Under low flow-rate conditions, a Francis turbine exhibits precession of a vortex rope with pressure fluctuations in the draft tube. These undesirable flow phenomena can lead to deterioration of the turbine performance as manifested by torque and power output fluctuations. In order to suppress the rope with precession and a swirl component in the tube, the use of anti-swirl fins was investigated in a previous study. However, vortex rope generation still occurred near the cone of the tube. In this study, unsteady-state Reynolds-averaged Navier–Stokes analyses were conducted with a scale-adaptive simulation shear stress transport turbulence model. This model was used to observe the effects of the injection in the draft tube on the unsteady internal flow and pressure phenomena considering both active and passive suppression methods. The air injection affected the generation and suppression of the vortex rope and swirl component depending on the flow rate of the air. In addition, an injection level of 0.5%Q led to a reduction in the maximum unsteady pressure characteristics.

Measurement and Modeling of Condensation Heat Transfer Coefficients in Circular Microchannels

2006 ◽  
Vol 128 (10) ◽  
pp. 1050-1059 ◽  
Author(s):  
Todd M. Bandhauer ◽  
Akhil Agarwal ◽  
Srinivas Garimella
Keyword(s):  
Heat Transfer ◽  
Flow Rate ◽  
Heat Transfer Model ◽  
Condensation Heat Transfer ◽  
Low Flow ◽  
Transfer Model ◽  
Shear Stresses ◽  
Transfer Coefficients ◽  
Heat Transfer Coefficients ◽  
Circular Microchannels

A model for predicting heat transfer during condensation of refrigerant R134a in horizontal microchannels is presented. The thermal amplification technique is used to measure condensation heat transfer coefficients accurately over small increments of refrigerant quality across the vapor-liquid dome (0<x<1). A combination of a high flow rate closed loop primary coolant and a low flow rate open loop secondary coolant ensures the accurate measurement of the small heat duties in these microchannels and the deduction of condensation heat transfer coefficients from measured UA values. Measurements were conducted for three circular microchannels (0.506<Dh<1.524mm) over the mass flux range 150<G<750kg∕m2s. Results from previous work by the authors on condensation flow mechanisms in microchannel geometries were used to interpret the results based on the applicable flow regimes. The heat transfer model is based on the approach originally developed by Traviss, D. P., Rohsenow, W. M., and Baron, A. B., 1973, “Forced-Convection Condensation Inside Tubes: A Heat Transfer Equation For Condenser Design,” ASHRAE Trans., 79(1), pp. 157–165 and Moser, K. W., Webb, R. L., and Na, B., 1998, “A New Equivalent Reynolds Number Model for Condensation in Smooth Tubes,” ASME, J. Heat Transfer, 120(2), pp. 410–417. The multiple-flow-regime model of Garimella, S., Agarwal, A., and Killion, J. D., 2005, “Condensation Pressure Drop in Circular Microchannels,” Heat Transfer Eng., 26(3), pp. 1–8 for predicting condensation pressure drops in microchannels is used to predict the pertinent interfacial shear stresses required in this heat transfer model. The resulting heat transfer model predicts 86% of the data within ±20%.

Simulation on Linear-Motor-Driven Water Hydraulic Reciprocating Plunger Pump

2013 ◽  
Vol 842 ◽  
pp. 530-535 ◽  
Author(s):  
Zeng Meng Zhang ◽  
Yong Jun Gong ◽  
Jiao Yi Hou ◽  
Han Peng Wu
Keyword(s):  
Flow Rate ◽  
Deep Sea ◽  
High Efficiency ◽  
Control Method ◽  
Sea Water ◽  
Linear Motor ◽  
Low Flow ◽  
Flow Pulsation ◽  
Plunger Pump ◽  
Water Hydraulic

The water hydraulic reciprocating plunger pump driven by linear motor is suitable to deep sea application with high efficiency and variable control. Aiming to study the principle structure and working characteristics of the pump, two patterns of valve and piston distribution were designed. And the control method and the performance were analyzed by simulation based on the AMESim model. The results show that the pressure and flow pulsation of piston type pump are much smaller than the valve type, even though the piston type is large in scale and works at low flow rate. Compared with a valve distribution tri-linear-motor reciprocating plunger pump (VDTLMP), as the flow rate of the piston distribution double linear motor reciprocating plunger pump (PDDLMP) is decreased from 36.7 L/min to 21.2 L/min theoretically, the pressure pulsation amplitude is decreased from 46% to 2%, and the flow pulsation rate is also decreased from 0.266 to 0.007. These results contribute to the research on deep-sea water hydraulic power pack and direct drive pump with high efficiency and energy conservation.

A Meanline Model for Impeller Flow Recirculation

2008 ◽  
Author(s):  
Xuwen Qiu ◽  
David Japikse ◽  
Mark Anderson
Keyword(s):  
Flow Rate ◽  
Recirculation Zone ◽  
Reverse Flow ◽  
Low Flow ◽  
Suction Surface ◽  
Blade Loading ◽  
Flow Recirculation ◽  
Impeller Outlet ◽  
Active Flow ◽  
Low Flow Rate

Flow recirculation at the impeller inlet and outlet is an important feature that affects impeller performance, especially the power consumption at a very low flow rate. Although the mechanisms for this flow phenomenon have been studied, a practical model is needed for meanline modeling of impeller off-design performance. In this paper, a meanline recirculation model is proposed. At the inlet, the recirculation zone acts as area blockage to relieve the large incidence of the active flow at a low flow rate. The size of the blockage is estimated through a critical area ratio of an artificial “inlet diffuser” from the inlet to throat. The intensity of the reverse flow can then be calculated by assuming a linear velocity profile of meridional velocity in the recirculation zone. At the impeller outlet, a recirculation zone near the suction surface is established to balance the velocity difference on the pressure and suction sides of the blade. The size and the intensity of the outlet recirculation zone is assumed related to blade loading, which can be evaluated based on flow turning and Coriolis force. A few validation cases are presented showing a good comparison between test data and prediction by the model.

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