Accurate Prediction of Organic Aerosol Evaporation Using Kinetic Multilayer Modeling and the Stokes–Einstein Equation

2021 ◽  
Vol 125 (16) ◽  
pp. 3444-3456
Author(s):  
Stephen Ingram ◽  
Grazia Rovelli ◽  
Young-Chul Song ◽  
David Topping ◽  
Cari S. Dutcher ◽  
...  
Keyword(s):  
Einstein Equation ◽  
Organic Aerosol ◽  
Accurate Prediction

scholarly journals Viscosities, diffusion coefficients, and mixing times of intrinsic fluorescent organic molecules in brown limonene secondary organic aerosol and tests of the Stokes–Einstein equation

2019 ◽  
Vol 19 (3) ◽  
pp. 1491-1503 ◽  
Author(s):  
Dagny A. Ullmann ◽  
Mallory L. Hinks ◽  
Adrian M. Maclean ◽  
Christopher L. Butenhoff ◽  
James W. Grayson ◽  
...  
Keyword(s):  
Einstein Equation ◽  
Diffusion Coefficients ◽  
Organic Molecules ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
High Mass ◽  
Einstein Relation ◽  
Mixing Times ◽  
Diffusion Rates ◽  
And Diffusion

Abstract. Viscosities and diffusion rates of organics within secondary organic aerosol (SOA) remain uncertain. Using the bead-mobility technique, we measured viscosities as a function of water activity (aw) of SOA generated by the ozonolysis of limonene followed by browning by exposure to NH3 (referred to as brown limonene SOA or brown LSOA). These measurements together with viscosity measurements reported in the literature show that the viscosity of brown LSOA increases by 3–5 orders of magnitude as the aw decreases from 0.9 to approximately 0.05. In addition, we measured diffusion coefficients of intrinsic fluorescent organic molecules within brown LSOA matrices using rectangular area fluorescence recovery after photobleaching. Based on the diffusion measurements, as the aw decreases from 0.9 to 0.33, the average diffusion coefficient of the intrinsic fluorescent organic molecules decreases from 5.5×10-9 to 7.1×10-13 cm2 s−1 and the mixing times of intrinsic fluorescent organic molecules within 200 nm brown LSOA particles increases from 0.002 to 14 s. These results suggest that the mixing times of large organics in the brown LSOA studied here are short (<1 h) for aw and temperatures often found in the planetary boundary layer (PBL). Since the diffusion coefficients and mixing times reported here correspond to SOA generated using a high mass loading (∼1000 µg m−3), biogenic SOA particles found in the atmosphere with mass loadings ≤10 µg m−3 are likely to have higher viscosities and longer mixing times (possibly 3 orders of magnitude longer). These new measurements of viscosity and diffusion were used to test the accuracy of the Stokes–Einstein relation for predicting diffusion rates of organics within brown LSOA matrices. The results show that the Stokes–Einstein equation gives accurate predictions of diffusion coefficients of large organics within brown LSOA matrices when the viscosity of the matrix is as high as 102 to 104 Pa s. These results have important implications for predicting diffusion and mixing within SOA particles in the atmosphere.

scholarly journals Transient cavity dynamics and divergence from the Stokes–Einstein equation in organic aerosol

2020 ◽  
Vol 11 (11) ◽  
pp. 2999-3006
Author(s):  
Young-Chul Song ◽  
Stephen Ingram ◽  
Robert E. Arbon ◽  
David O. Topping ◽  
David R. Glowacki ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Einstein Equation ◽  
Organic Aerosol ◽  
Einstein Relation ◽  
Dynamics Simulations

The failure of the Stokes–Einstein relation is assessed in aerosol measurements and molecular dynamics simulations.

Incompleteness of General Relativity, Einstein's Errors, and Related Experiments-- American Physical Society March meeting, Z23 5, 2015 --

2015 ◽  
Vol 8 (2) ◽  
pp. 2135-2147 ◽  
Author(s):  
C. Y. Lo
Keyword(s):  
General Relativity ◽  
Einstein Equation ◽  
Reaction Force ◽  
Radiation Reaction ◽  
Gravitational Energy ◽  
Energy Conditions ◽  
Experimental Investigations ◽  
Positive Mass Theorem ◽  
Wave Source ◽  
Photonic Energy

General relativity is incomplete since it does not include the gravitational radiation reaction force and the interaction of gravitation with charged particles. General relativity is confusing because Einstein's covariance principle is invalid in physics. Moreover, there is no bounded dynamic solution for the Einstein equation. Thus, Gullstrand is right and the 1993 Nobel Prize for Physics press release is incorrect. Moreover, awards to Christodoulou reflect the blind faith toward Einstein and accumulated errors in mathematics. Note that the Einstein equation with an electromagnetic wave source has no valid solution unless a photonic energy-stress tensor with an anti-gravitational coupling is added. Thus, the photonic energy includes gravitational energy. The existence of anti-gravity coupling implies that the energy conditions in space-time singularity theorems of Hawking and Penrose cannot be satisfied, and thus are irrelevant. Also, the positive mass theorem of Yau and Schoen is misleading, though considered as an achievement by the Fields Medal. E = mc2 is invalid for the electromagnetic energy alone. The discovery of the charge-mass interaction establishes the need for unification of electromagnetism and gravitation and would explain many puzzles. Experimental investigations for further results are important.

Problems on the Gravitational Wave and the Repulsive Gravitation

2016 ◽  
pp. 4422-4429
Author(s):  
C. Y. Lo
Keyword(s):  
Black Holes ◽  
Gravitational Wave ◽  
Einstein Equation ◽  
Wave Solution ◽  
Dynamic Solution ◽  
Pure Mathematics ◽  
Non Linear

It is exciting that the gravitational wave has been confirmed, according to the announcement of LIGO. This would be the time to fix the Einstein equation for the gravitational wave and the nonexistence of the dynamic solution. As a first step, theorists should improve their pure mathematics on non-linear mathematics and related physical considerations beyond Einstein. Then, it is time to rectify the Einstein equation that has no gravitational wave solution which Einstein has recognized, and no dynamic solution that Einstein failed to see. A problem is that physicists in LIGO did not know their shortcomings. Also, in view of the far distance of the sources, it is very questionable that the physicists can determine they are from black holes. Moreover, since the repulsive gravitation can also generate a gravitational wave, the problem of gravitational wave is actually far more complicated than we have known. A useful feature of the gravitational wave based on repulsive gravitation is that it can be easily generated on earth. Thus this can be a new tool for communication because it can penetrate any medium.

Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers

2017 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Chong Cheng ◽  
Johannes Hachmann
Keyword(s):  
First Principles ◽  
Data Modeling ◽  
Accurate Prediction ◽  
Index Of Refraction ◽  
Structure Theory ◽  
Organic Polymers ◽  
Number Density ◽  
Lorenz Equation ◽  
In Silico Studies ◽  
Wide Range

Organic materials with a high index of refraction (RI) are attracting considerable interest due to their potential application in optic and optoelectronic devices. However, most of these applications require an RI value of 1.7 or larger, while typical carbon-based polymers only exhibit values in the range of 1.3–1.5. This paper introduces an efficient computational protocol for the accurate prediction of RI values in polymers to facilitate in silico studies that an guide the discovery and design of next-generation high-RI materials. Our protocol is based on the Lorentz-Lorenz equation and is parametrized by the polarizability and number density values of a given candidate compound. In the proposed scheme, we compute the former using first-principles electronic structure theory and the latter using an approximation based on van der Waals volumes. The critical parameter in the number density approximation is the packing fraction of the bulk polymer, for which we have devised a machine learning model. We demonstrate the performance of the proposed RI protocol by testing its predictions against the experimentally known RI values of 112 optical polymers. Our approach to combine first-principles and data modeling emerges as both a successful and highly economical path to determining the RI values for a wide range of organic polymers.

Rising Importance of Organosulfur Species for Aerosol Properties and Future Air Quality

2019 ◽  
Author(s):  
Matthieu Riva ◽  
Yuzhi Chen ◽  
Zhang, Yue ◽  
Ziying Lei ◽  
Nicole Olson ◽  
...  
Keyword(s):  
Air Quality ◽  
Physicochemical Properties ◽  
Phase State ◽  
Global Climate ◽  
Field Measurements ◽  
Organic Aerosol ◽  
Organic Sulfate ◽  
Isoprene Oxidation ◽  
Aerosol Properties ◽  
Inorganic Sulfate

<div>Acid-driven multiphase chemistry of isoprene epoxydiols (IEPOX), a key isoprene oxidation product, with inorganic sulfate aerosol yields substantial amounts of secondary organic aerosol (SOA) through the formation of organosulfur. The extent and implications of inorganic-to-organic sulfate conversion, however, are unknown. Herein, we reveal that extensive consumption of inorganic sulfate occurs, which increases with the IEPOX-to-inorganic sulfate ratio (IEPOX:Sulf<sub>inorg</sub>), as determined by laboratory and field measurements. We further demonstrate that organosulfur greatly modifies critical aerosol properties, such as acidity, morphology, viscosity, and phase state. These new mechanistic insights reveal that changes in SO<sub>2</sub> emissions, especially in isoprene-dominated environments, will significantly alter biogenic SOA physicochemical properties. Consequently, IEPOX:Sulf<sub>inorg</sub> will play a central role in understanding historical climate and determining future impacts of biogenic SOA on global climate and air quality.</div>

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