Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields

2021 ◽  
Vol 154 (7) ◽  
pp. 074502
Author(s):  
Qiang Zhu ◽  
Yuming Gu ◽  
Limu Hu ◽  
Théophile Gaudin ◽  
Mengting Fan ◽  
...  
Keyword(s):  
Shear Viscosity ◽  
Force Fields ◽  
Sulfur Compounds ◽  
Variable Force ◽  
Viscosity Prediction

Accurate ab-Initio Quartic Force Fields for the Sulfur Compounds H2S, CS2, OCS, and CS

1995 ◽  
Vol 169 (2) ◽  
pp. 445-457 ◽  
Author(s):  
J.M.L. Martin ◽  
J.P. Francois ◽  
R. Gijbels
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Sulfur Compounds

scholarly journals Thermodynamic Scaling of the Shear Viscosity of Lennard-Jones Chains of Variable Rigidity

Liquids ◽  
2021 ◽  
Vol 1 (1) ◽  
pp. 96-108
Author(s):  
Stephanie Delage Santacreu ◽  
Hai Hoang ◽  
Samy Khennache ◽  
Guillaume Galliero
Keyword(s):  
Shear Viscosity ◽  
Force Fields ◽  
Coarse Grained ◽  
Molecular Models ◽  
Normal Alkanes ◽  
Lennard Jones ◽  
Simple Alternative ◽  
Points Of View ◽  
Dynamics Simulations ◽  
Real Fluids

In this work, the thermodynamic scaling framework has been used to emphasize the limitations of fully flexible coarse grained molecular models to yield shear viscosity of real liquids. In particular, extensive molecular dynamics simulations have confirmed that, while being reasonable to describe the viscosity of short normal alkanes, the fully flexible Lennard-Jones and Mie chains force fields are inadequate to capture the density dependence of shear viscosity of medium to long alkanes. In addition, it is shown that such a weakness in terms of coarse grained molecular models can be readily quantified by using the thermodynamic scaling framework. As a simple alternative to these force fields, it is demonstrated that the insertion of a variable intramolecular rigidity in the Lennard-Jones chains model exhibits promising results to model medium to long chain-like real fluids from both thermodynamic and viscosity points of view.

Use of the Magnetostatic Analogue In Electromagnetic Lens Engineering

1970 ◽  
Vol 28 ◽  
pp. 360-361
Author(s):  
John W. Coleman
Keyword(s):  
Boundary Conditions ◽  
High Performance ◽  
Force Fields ◽  
Optical Design ◽  
Direct Conversion ◽  
Design Engineering ◽  
Design Data ◽  
Scalar Potentials ◽  
Geometric Elements ◽  
At Will

In the design engineering of high performance electromagnetic lenses, the direct conversion of electron optical design data into drawings for reliable hardware is oftentimes difficult, especially in terms of how to mount parts to each other, how to tolerance dimensions, and how to specify finishes. An answer to this is in the use of magnetostatic analytics, corresponding to boundary conditions for the optical design. With such models, the magnetostatic force on a test pole along the axis may be examined, and in this way one may obtain priority listings for holding dimensions, relieving stresses, etc..The development of magnetostatic models most easily proceeds from the derivation of scalar potentials of separate geometric elements. These potentials can then be conbined at will because of the superposition characteristic of conservative force fields.

Sulfur compounds from the mushroom Boletus pseudocalopus and their bioactivity

Planta Medica ◽  
2012 ◽  
Vol 78 (11) ◽  
Author(s):  
CS Kim ◽  
KH Kim ◽  
SU Choi ◽  
KR Lee
Keyword(s):  
Sulfur Compounds

An Assessment of Red Cell Deformability Using a Simple Filtration Method

1979 ◽  
Author(s):  
M Drummond ◽  
G Lowe ◽  
J Belch ◽  
C Forbes ◽  
J Barbenel
Keyword(s):  
Cell Count ◽  
Shear Viscosity ◽  
White Cell Count ◽  
White Cell ◽  
Red Cell ◽  
Cell Deformability ◽  
Red Cell Deformability ◽  
Simple Method ◽  
Filtration Method ◽  
Significant Difference

We investigated the reproducibility and validity of a simple method of measuring red cell deformability (filtration of whole blood through 5 µ sieves) and its relationship to haematocrit, blood viscosity, fibrinogen, white cell count, sex and smoking. The mean coefficient of variation in normals was 3. 7%. Tanned red cells showed marked loss of deformability. Blood filtration rate correlated with haematocrit (r = 0. 99 on dilution of samples, r = 0. 7 in 120 normals and patients). After correction for haematocrit, deformability correlated with high shear viscosity, but not low shear viscosity, fibrinogen or white cell count. In 60 normals there was no significant difference between males and females, or smokers and non-smokers, but in 11 smokers there was an acute fall in deformability after smoking 3 cigarettes (p<0. 05). Reduced deformability was found in acute myocardial infarction (n = 15, p<0. 01) and chronic peripheral arterial disease (n = 15, p<0. 01). The technique is reproducible, detects rigid cells and appears useful in the study of vascular disease.

Macroscopic and molecular shear viscosity

1997 ◽  
Vol 167 (7) ◽  
pp. 721-733 ◽  
Author(s):  
Immanuil L. Fabelinskii
Keyword(s):  
Shear Viscosity
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