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Journal Article
Journal of the Royal Statistical Society. Series B (Statistical Methodology), ISSN 1369-7412, 3/2012, Volume 74, Issue 2, pp. 287 - 311
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2020, Volume 213, pp. 467 - 474
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 04/2019, Volume 484, pp. 98 - 105
We present a study of viscosities of methane, n-butane and their mixtures by the non-equilibrium molecular dynamics simulations and derivation of semiempirical... 
Viscosity | Molecular dynamics | Hydrocarbons | Batchinski equation
Journal Article
Proceedings of the Combustion Institute, ISSN 1540-7489, 2017, Volume 36, Issue 1, pp. 245 - 253
A substantial fraction of the reactions that take place in combustion are complex-forming (i.e. pressure-dependent) reactions, which depend on the collisional... 
pressure dependence | multi-component bath gas | mixture rules
Journal Article
Journal of the American Statistical Association, ISSN 0162-1459, 04/2014, Volume 109, Issue 506, pp. 674 - 685
Estimation of mixture densities for the classical Gaussian compound decision problem and their associated (empirical) Bayes rules is considered from two new... 
Empirical Bayes | Kiefer-Wolfowitz maximum likelihood estimator | Mixture models | MAXIMUM-LIKELIHOOD-ESTIMATION | LOG-CONCAVE DENSITY | CONSISTENCY | EM ALGORITHM | STATISTICS & PROBABILITY
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2018, Volume 122, Issue 6, pp. 1672 - 1677
In traditional force fields (FFs), van der Waals interactions have been usually described by the Lennard-Jones potentials. Conventional combination rules for... 
MIXTURES | GASES | HYDROGEN | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COMBINING RULES | CHEMISTRY, PHYSICAL | 2ND VIRIAL COEFFICIENT | PARAMETERS | PROTEINS | Methane | Chemical properties | Research | Intermolecular forces | Analysis
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 11/2013, Volume 357, pp. 30 - 35
Solid–liquid–gas equilibria (SLGE) for carbon dioxide + organic compound mixtures were predicted by Peng–Robinson (PR) equation of state with excess Gibbs free... 
Excess Gibbs free energy mixing rule | Solid–liquid–gas equilibrium | Molecular surface charge | Equation of state | Carbon dioxide | Solid-liquid-gas equilibrium
Journal Article
Process Biochemistry, ISSN 1359-5113, 11/2018, Volume 74, pp. 50 - 60
The selectivity of -lysine acylation by lauric acid catalysed by lipase B (CALB) was investigated combining experimental and theoretical methodologies.... 
Docking | Selectivity | Electrostatic energy | Candida Antarctica lipase B | Lysine acylation | PROTEIN | BIOCHEMISTRY & MOLECULAR BIOLOGY | ALGORITHM | REGIOSELECTIVITY | PREDICTION | CHARGE-DENSITY | REFINEMENT | ENGINEERING, CHEMICAL | ACID-BASED SURFACTANTS | BIOTECHNOLOGY & APPLIED MICROBIOLOGY | CANDIDA-ANTARCTICA | LIGAND | Lipase | Lysine | Saturated fatty acids | Analysis | Acylation
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 11/2015, Volume 119, Issue 46, pp. 14563 - 14573
A molecular mechanics force field of the AMBER/OPLS family for perfluoroalkanes, noble gases, and their mixtures with alkanes has been proposed. We had to... 
MIXTURES | PRESSURE | MOLECULAR-DYNAMICS | PHASE-BEHAVIOR | CHEMISTRY, PHYSICAL | POTENTIAL FUNCTIONS | ORGANIC LIQUIDS | PARAMETERS | SIMULATIONS | PROTEINS | ALKANES | Models, Chemical | Alkanes - chemistry | Molecular mechanics | Alkanes | Chemical properties | Gases, Rare | Analysis | Naturvetenskap | Natural Sciences | Kemi | Chemical Sciences
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 03/2017, Volume 56, Issue 8, pp. 2259 - 2276
It is currently acknowledged that thermodynamic models routinely used to model the behavior of fluids involved in CO2 capture and storage processes are not... 
Journal Article
Physica A: Statistical Mechanics and its Applications, ISSN 0378-4371, 07/2017, Volume 477, pp. 187 - 194
We discuss the first three well known moment charge–charge sum-rules for a general ionic liquid. For the special symmetric case of the Restricted Primitive... 
Stillinger–Lovett sum-rule | Electrolyte | Clustering | Moment sum-rule | Ionic liquid | Criticality | FLUIDS | MIXTURE | PHYSICS, MULTIDISCIPLINARY | Stillinger-Lovett sum-rule | PHASE-EQUILIBRIA | ONE-COMPONENT PLASMA | CRITICAL-BEHAVIOR | RESTRICTED PRIMITIVE MODEL | MONTE-CARLO SIMULATIONS | EQUILIBRIUM PROPERTIES | Monte Carlo method | Analysis
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 05/2014, Volume 118, Issue 17, pp. 4600 - 4604
The Stokes–Einstein–Debye (SED) expression is used routinely to relate orientational molecular diffusivity quantitatively to viscosity. However, it is... 
MIXTURES | CCL4 | DYNAMICS | CHEMISTRY, PHYSICAL | RELAXATION | IONIC LIQUIDS | WATER | Molecular dynamics | Diffusion | Analysis | Viscosity | Molecular diffusion | Fluid dynamics | Fluid flow | Guanidine hydrochloride | Diffusivity | Failure
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2019, Volume 15, Issue 1, pp. 402 - 423
Journal Article
International Journal of Remote Sensing, ISSN 0143-1161, 06/2018, Volume 39, Issue 11, pp. 3512 - 3536
Mixed pixels are often formed when surface materials are smaller than the spatial resolution of a sensor, or two or more ground features fall within a pixel.... 
REGRESSION | IMAGING SCIENCE & PHOTOGRAPHIC TECHNOLOGY | EXTRACTION | REMOTE SENSING | MIXTURE ANALYSIS | INFORMATION | Correlation | Geomorphology | Methodology | Abundance | Spectra | Coexistence | Pixels | Remote sensing | Satellite imagery | Components | Satellites | Spatial distribution | Spatial data | Iterative methods | Spatial resolution | Patchiness
Journal Article
Composites Part B, ISSN 1359-8368, 03/2019, Volume 160, pp. 167 - 169
The use of rules-of-mixture to predict the elastic modulus and strength of natural fibre-reinforced composites is often compromised by the fibre properties... 
Natural fibre | Fibre area correction factor | Rules-of-mixture | ENGINEERING, MULTIDISCIPLINARY | MATERIALS SCIENCE, COMPOSITES | STRENGTH | MECHANICAL-PROPERTIES | JUTE
Journal Article
Fuel, ISSN 0016-2361, 2011, Volume 90, Issue 12, pp. 3561 - 3570
Seventeen mixing rules reported in the literature used for predicting kinematic viscosity of petroleum and its fractions were examined for accuracy by... 
Viscosity | Petroleum | Mixing rule | HYDROCARBONS | HEAVY OIL | ENERGY & FUELS | GROUP SOLUTION MODEL | LIQUID MIXTURES | PREDICTION | ENGINEERING, CHEMICAL | FRACTIONS | BINARY-MIXTURES | BITUMEN | Regulatory compliance | Analysis | Gravitation | Blends | Polymer blends | Crude oil | Diesel | Mixing rules | Diesel fuels
Journal Article
Fuel, ISSN 0016-2361, 08/2019, Volume 249, pp. 198 - 205
The most important mixing rules reported in the literature to calculate the viscosity of blends of crude oils were tested. Experimental kinematic viscosity of... 
Viscosity | Binary interaction parameter | Mixing rule | ENGINEERING, CHEMICAL | BITUMEN | ENERGY & FUELS | Sensitivity analysis | Oils | Mixtures | Interaction parameters | Mathematical analysis | Crude oil | Mixing rules | Parameter sensitivity | Kinematic viscosity | Flight simulation
Journal Article
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