scholarly journals Polymer weight determination from numerical and experimental data of the reduced viscosity of polymer in brine

2019 ◽  
Vol 65 (4 Jul-Aug) ◽  
pp. 321
Author(s):  
A. Vega Paz ◽  
F. De J. Guevara Rodríguez ◽  
J. F. Palomeque Santiago ◽  
And N. Victorovna Likhanova
Keyword(s):  
Experimental Data ◽  
Polymer Concentration ◽  
Dynamics Simulation ◽  
Radius Of Gyration ◽  
Trimethyl Ammonium Chloride ◽  
Reduced Viscosity ◽  
The Mean ◽  
Temperature And Pressure ◽  
Vinyl Benzyl ◽  
Poly Acrylamide

The molecular weight of poly[acrylamide-co-vinylpyrrolidone-co-(vinyl benzyl) trimethyl ammonium]chloride is determined from numerical and experimental data of the reduced viscosity of polymer in brine (with 0.1M NaCl) at normal temperature and pressure. The methodology is based on the numerical results of the mean radius of gyration of polymer and reduced viscosity which is derived from the molecular dynamics simulation of the mixture by using the NPT ensemble. The formula of the reduced viscosity as a function of the polymer radius of gyration and the polymer concentration in brine is proposed.

scholarly journals Electrospinning of a Copolymer PVDF-co-HFP Solved in DMF/Acetone: Explicit Relations among Viscosity, Polymer Concentration, DMF/Acetone Ratio and Mean Nanofiber Diameter

Polymers ◽  
2021 ◽  
Vol 13 (19) ◽  
pp. 3418
Author(s):  
Petr Filip ◽  
Jana Zelenkova ◽  
Petra Peer
Keyword(s):  
Experimental Data ◽  
Master Curve ◽  
Polymer Concentration ◽  
Mean Deviation ◽  
Algebraic Expressions ◽  
Nanofiber Diameter ◽  
The Mean ◽  
Copolymer Poly ◽  
Mutual Relations ◽  
Viscosity Polymer

The process of electrospinning polymer solutions depends on many entry parameters, with each having a significant impact on the overall process and where complexity prevents the expression of their interplay. However, under the assumption that most parameters are fixed, it is possible to evaluate the mutual relations between pairs or triples of the chosen parameters. In this case, the experiments were carried out with a copolymer poly(vinylidene-co-hexafluoropropylene) solved in mixed N,N’-dimethylformamide (DMF)/acetone solvent for eight polymer concentrations (8, 10, 12, 15, 18, 21, 24, and 27 wt.%) and five DMF/acetone ratios (1/0, 4/1, 2/1, 1/1, 1/2). Processing of the obtained data (viscosity, mean nanofiber diameter) aimed to determine algebraic expressions relating both to viscosity and a mean nanofiber diameter with polymer concentration, as well as DMF/acetone ratio. Moreover, a master curve relating these parameters with no fitting factors was proposed continuously covering a sufficiently broad range of concentration as well as DMF/acetone ratio. A comparison of algebraic evaluation with the experimental data seems to be very good (the mean deviation for viscosity was about 2%, while, for a mean nanofiber diameter was slightly less than 10%).

Study on the Stress Relaxation of Polychloroprene Rubber by Molecular Dynamics Simulation at Different Temperature

2012 ◽  
Vol 532-533 ◽  
pp. 311-315 ◽  
Author(s):  
Yue Kai Gao ◽  
Xue Jia Ding ◽  
Tao Hu ◽  
Yi Li ◽  
Si Zhu Wu
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Stress Relaxation ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Gyration Radius ◽  
Radius Of Gyration ◽  
Mean Square ◽  
Relaxation Experiment ◽  
Different Temperatures

In this study, molecular dynamics (MD) simulation has been employed to investigate the distribution function of gyration radius under different temperatures. The structure of chloroprene rubber (CR) was constructed and the circles of energy minimization were applied. The fitting functions of normal stress with time under different pressures were obtained. Compression stress relaxation experiment of different temperatures was also conducted. Comparing with the coefficient of stress relaxation from the experiment, it was found that the theoretical stress relaxation results were similar to the experimental data. The results indicated that the mean-square radius of gyration decreased with reduction of temperature, which corresponded to the typical viscoelasticity stress relaxation behaviors of polymers. It is confirmed that the variation of mean-square radius can be used to quantitatively describe the stress relaxation of rubber system and a good agreement between the theoretical curves with the experimental data can be obtained from MD simulation.

scholarly journals Boundary layer of elastic turbulence

2018 ◽  
Vol 855 ◽  
pp. 910-921 ◽  
Author(s):  
S. Belan ◽  
A. Chernykh ◽  
V. Lebedev
Keyword(s):  
Boundary Layer ◽  
Fluid Velocity ◽  
Polymer Concentration ◽  
Weissenberg Number ◽  
Radius Of Gyration ◽  
Wall Region ◽  
Mean Flow ◽  
Flow Fluctuations ◽  
Steady Shear Flow ◽  
The Mean

We investigate theoretically the near-wall region in elastic turbulence of a dilute polymer solution in the limit of large Weissenberg number. As has been established experimentally, elastic turbulence possesses a boundary layer where the fluid velocity field can be approximated by a steady shear flow with relatively small fluctuations on the top of it. Assuming that at the bottom of the boundary layer the dissolved polymers can be considered as passive objects, we examine analytically and numerically the statistics of the polymer conformation, which is highly non-uniform in the wall-normal direction. Next, imposing the condition that the passive regime terminates at the border of the boundary layer, we obtain an estimate for the ratio of the mean flow to the magnitude of the flow fluctuations. This ratio is determined by the polymer concentration, the radius of gyration of polymers and their length in the fully extended state. The results of our asymptotic analysis reproduce the qualitative features of elastic turbulence at finite Weissenberg numbers.

scholarly journals Application of Artificial Intelligence (AI) for Sustainable Highway and Road System

Symmetry ◽  
2020 ◽  
Vol 13 (1) ◽  
pp. 60
Author(s):  
Md Arifuzzaman ◽  
Muhammad Aniq Gul ◽  
Kaffayatullah Khan ◽  
S. M. Zakir Hossain
Keyword(s):  
Experimental Data ◽  
High Performance ◽  
Adhesion Force ◽  
Model Development ◽  
Real Life ◽  
Bayesian Optimization ◽  
Support Vector ◽  
Adhesive Properties ◽  
Bayesian Optimization Algorithm ◽  
The Mean

There are several environmental factors such as temperature differential, moisture, oxidation, etc. that affect the extended life of the modified asphalt influencing its desired adhesive properties. Knowledge of the properties of asphalt adhesives can help to provide a more resilient and durable asphalt surface. In this study, a hybrid of Bayesian optimization algorithm and support vector regression approach is recommended to predict the adhesion force of asphalt. The effects of three important variables viz., conditions (fresh, wet and aged), binder types (base, 4% SB, 5% SB, 4% SBS and 5% SBS), and Carbon Nano Tube doses (0.5%, 1.0% and 1.5%) on adhesive force are taken into consideration. Real-life experimental data (405 specimens) are considered for model development. Using atomic force microscopy, the adhesive strength of nanoscales of test specimens is determined according to functional groups on the asphalt. It is found that the model predictions overlap with the experimental data with a high R2 of 90.5% and relative deviation are scattered around zero line. Besides, the mean, median and standard deviations of experimental and the predicted values are very close. In addition, the mean absolute Error, root mean square error and fractional bias values were found to be low, indicating the high performance of the developed model.

VISCOSITY OF NATURAL RUBBER SOLUTIONS AT VERY LOW RATES OF SHEAR

1957 ◽  
Vol 35 (4) ◽  
pp. 381-387 ◽  
Author(s):  
Morton A. Golub
Keyword(s):  
Experimental Data ◽  
Natural Rubber ◽  
Pressure Head ◽  
Viscosity Data ◽  
Theoretical Relation ◽  
Newtonian Flow ◽  
Shear Rates ◽  
Reduced Viscosity ◽  
Wide Range ◽  
Composite Data

The shear dependence of viscosity of benzene solutions of natural rubber was studied at rates of shear from about 500 down to less than 1 sec.−1. Measurements involved following the change of pressure head with time of the various solutions flowing in a capillary, U-tube viscometer. Curvature in the plots of the logarithm of pressure head versus time indicated non-Newtonian flow. From such curves, reduced viscosity data over the above-mentioned shear range were readily derived. As a check, data over the range 100–500 sec.−1 were also obtained with a five-bulb viscometer of the Krigbaum–Flory type, and these data overlapped those obtained with the U tube. The reduced viscosity increased very sharply with decrease in gradient, making extrapolation to the viscosity axis quite unreliable. However, a theoretical relation proposed by Bueche fitted the composite data rather well. This work furnished a nice technique for determining the zero shear reduced viscosity (ηap/c)0 without the necessity of performing an uncertain extrapolation: evaluate the parameters of the Bueche formula which best satisfies the experimental data over a fairly wide range of shear rates, and then calculate (ηap/c)0 directly.

Self-diffusion of lignite/water under different temperatures and pressure: A molecular dynamics study

2016 ◽  
Vol 30 (01) ◽  
pp. 1550253 ◽  
Author(s):  
Xinjian Liu ◽  
Yu Jin ◽  
Congliang Huang ◽  
Jingfeng He ◽  
Zhonghao Rao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Water System ◽  
Simulation Method ◽  
The Self ◽  
Dynamics Simulation ◽  
Low Rank ◽  
Self Diffusion ◽  
Change Mechanism ◽  
Different Temperatures ◽  
Temperature And Pressure

Temperature and pressure have direct and remarkable implications for drying and dewatering effect of low rank coals such as lignite. To understand the microenergy change mechanism of lignite, the molecular dynamics simulation method was performed to study the self-diffusion of lignite/water under different temperatures and pressure. The results showed that high temperature and high pressure can promote the diffusion of lignite/water system, which facilitates the drying and dewatering of lignite. The volume and density of lignite/water system will increase and decrease with temperature increasing, respectively. Though the pressure within simulation range can make lignite density increase, the increasing pressure showed a weak impact on variation of density.

THE "FOLDING" BEHAVIORS OF HOMOPOLYMERS WITH ONE END FIXED

2004 ◽  
Vol 18 (15) ◽  
pp. 2123-2139 ◽  
Author(s):  
BIN XUE ◽  
JUN WANG ◽  
WEI WANG
Keyword(s):  
Molecular Dynamics ◽  
Chain Length ◽  
Conformational Changes ◽  
Canonical Ensemble ◽  
Interaction Strength ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Radius Of Gyration ◽  
Native Conformation ◽  
Collapse Temperature

We study the "folding" behaviors of homopolymers with one end fixed. By using canonical ensemble molecular dynamics simulation method, we observe the conformational changes during folding processes. Long chains collapse to the helical nuclei, then regroup to helix from the free-end to form the compact conformations through the middle stages of helix-like coil and helix-like cone, while short chains do not apparently have the above mentioned middle stages. Through simulated annealing, the native conformation of homopolymer chain in our model is found to be helix. We show the relations between specific heat C v (T) and radius of gyration R g (T) as functions of temperature, chain length and the interaction strength, respectively. We find that these two quantities match well and can be combined to interpret the "folding" process of the homopolymer. It is found that the collapse temperature Tθ and the native-like folding temperature T f do not change with the chain length in our model, however the interaction strength affects the values of Tθ and T f .

STUDY OF THERMODYNAMIC PROPERTIES OF ZINC-BLENDE-TYPE SEMICONDUCTORS: TEMPERATURE AND PRESSURE DEPENDENCES

2011 ◽  
Vol 25 (12n13) ◽  
pp. 1041-1051 ◽  
Author(s):  
HO KHAC HIEU ◽  
VU VAN HUNG
Keyword(s):  
Nearest Neighbor ◽  
Thermodynamic Quantities ◽  
Atomic Displacements ◽  
Zinc Blende ◽  
The Mean ◽  
Temperature And Pressure ◽  
Analytical Expressions ◽  
Theoretical Results ◽  
Nearest Neighbor Distances ◽  
Statistical Moment Method

Using the statistical moment method (SMM), the temperature and pressure dependences of thermodynamic quantities of zinc-blende-type semiconductors have been investigated. The analytical expressions of the nearest-neighbor distances, the change of volumes and the mean-square atomic displacements (MSDs) have been derived. Numerical calculations have been performed for a series of zinc-blende-type semiconductors: GaAs , GaP , GaSb , InAs , InP and InSb . The agreement between our calculations and both earlier other theoretical results and experimental data is a support for our new theory in investigating the temperature and pressure dependences of thermodynamic quantities of semiconductors.

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