Studies on aerosol behavior in smog chambers: A parameter study with a numerical model combining aerosol physical processes and chemical reactions

1986 ◽  
Vol 17 (3) ◽  
pp. 612-617 ◽  
Author(s):  
H. Bunz ◽  
R. Dlugi
Water ◽  
2019 ◽  
Vol 11 (3) ◽  
pp. 610
Author(s):  
Huanhuan Qin

Numerical modeling has been adopted to assess the feasibility of centrifugal simulation of solute transport within the unsaturated zone. A numerical model was developed to study the centrifugal simulation of nonreactive, adsorption, radionuclide, and reactive solutes. The results showed that it is feasible to conduct centrifugal experiments for nonreactive solute transport. For the solute transport containing physical processes or chemical reactions, if the reaction is very rapid or slow, it is feasible to conduct centrifugal experiments. For the solute transport with a product B generated, if the reaction is relatively slow, the centrifugal prediction of solute is suitable. The centrifugal prediction of solute A matches the prototype quite well, but the prediction of B is in poor quality. If B is the focus, it is not feasible to conduct centrifugal experiments; but if B is not important, the centrifugal modeling is suitable. This has significant implications for the centrifugal modeling application to solute transport simulation within the unsaturated zone.


Water ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 2511
Author(s):  
Jintao Liu ◽  
Di Xu ◽  
Shaohui Zhang ◽  
Meijian Bai

This paper investigates the physical processes involved in the water filling and air expelling process of a pipe with multiple air valves under water slow filling condition, and develops a fully coupledwater–air two-phase stratified numerical model for simulating the process. In this model, the Saint-Venant equations and the Vertical Average Navier–Stokes equations (VANS) are respectively applied to describe the water and air in pipe, and the air valve model is introduced into the VANS equations of air as the source term. The finite-volume method and implicit dual time-stepping method (IDTS) with two-order accuracy are simultaneously used to solve this numerical model to realize the full coupling between water and air movement. Then, the model is validated by using the experimental data of the pressure evolution in pipe and the air velocity evolution of air valves, which respectively characterize the water filling and air expelling process. The results show that the model performs well in capturing the physical processes, and a reasonable agreement is obtained between numerical and experimental results. This agreement demonstrates that the proposed model in this paper offers a practical method for simulating water filling and air expelling process in a pipe with multiple air valves under water slow filling condition.


2020 ◽  
Author(s):  
Lyudmila Vshivkova ◽  
Vitaly Vshivkov ◽  
Galina Dudnikova

Author(s):  
Robert M. Hazen

Earth's 4.5-billion-year history has witnessed a complex sequence of high-probability chemical and physical processes, as well as ‘frozen accidents’. Most models of life's origins similarly invoke a sequence of chemical reactions and molecular self-assemblies in which both necessity and chance play important roles. Recent research adds two important insights into this discussion. First, in the context of chemical reactions, chance versus necessity is an inherently false dichotomy—a range of probabilities exists for many natural events. Second, given the combinatorial richness of early Earth's chemical and physical environments, events in molecular evolution that are unlikely at limited laboratory scales of space and time may, nevertheless, be inevitable on an Earth-like planet at time scales of a billion years. This article is part of the themed issue ‘Reconceptualizing the origins of life’.


Radiocarbon ◽  
2011 ◽  
Vol 53 (4) ◽  
pp. 691-704 ◽  
Author(s):  
John Southon

Conventional radiocarbon calculations correct for isotopic fractionation using an assumed value of 2.0 for the fractionation of 14C relative to 13C. In other words, isotopic discrimination in physical and chemical processes is assumed to cause relative shifts in 14C/12C ratios that are exactly double those of 13C/12C. This paper analyzes a 1984 experiment that produced a value for the fractionation ratio in photosynthesis of 2.3, which is used to this day by some researchers in the fields of hydrology and speleothem geochemistry. While the value of 2.3 is almost certainly incorrect, theoretical work suggests that the true value may indeed deviate from 2.0, which would have significant implications for 14C calculations.


2004 ◽  
Vol 34 (7) ◽  
pp. 1588-1609 ◽  
Author(s):  
Don L. Boyer ◽  
Dale B. Haidvogel ◽  
Nicolas Pérenne

2016 ◽  
Vol 113 (24) ◽  
pp. E3322-E3331 ◽  
Author(s):  
George Cooper ◽  
Andro C. Rios

Biological polymers such as nucleic acids and proteins are constructed of only one—the d or l—of the two possible nonsuperimposable mirror images (enantiomers) of selected organic compounds. However, before the advent of life, it is generally assumed that chemical reactions produced 50:50 (racemic) mixtures of enantiomers, as evidenced by common abiotic laboratory syntheses. Carbonaceous meteorites contain clues to prebiotic chemistry because they preserve a record of some of the Solar System’s earliest (∼4.5 Gy) chemical and physical processes. In multiple carbonaceous meteorites, we show that both rare and common sugar monoacids (aldonic acids) contain significant excesses of the d enantiomer, whereas other (comparable) sugar acids and sugar alcohols are racemic. Although the proposed origins of such excesses are still tentative, the findings imply that meteoritic compounds and/or the processes that operated on meteoritic precursors may have played an ancient role in the enantiomer composition of life’s carbohydrate-related biopolymers.


1984 ◽  
Vol 24 (01) ◽  
pp. 75-86 ◽  
Author(s):  
R.L. Braun ◽  
J.C. Diaz ◽  
A.E. Lewis

Abstract Lawrence Livermore Natl. Laboratory (LLNL) has developed a one-dimensional (1D) mathematical model to simulate modified in-situ (MIS) retorting of oil shale. In this paper we discuss application of the model to commercial-scale retorting conditions. The model was tested by comparing calculated values to those measured in experimental retort runs performed at LLNL. There was generally good agreement between the calculated and observed results for oil yield, temperature profiles, and the yields of most gas species. Retorting rates were generally overestimated by as much as 10%. The model is a useful tool for design and control of retort operations and to identify and interpret observations that differ from model predictions. The model was used to predict the results for MIS retorting on a commercial scale, focusing on larger retorts and larger shale particle sizes, focusing on larger retorts and larger shale particle sizes than could be investigated experimentally. Retort bed properties, particularly shale composition and particle size, play an important role in determining the recoverable fraction of oil. For a given shale composition, the inlet-gas properties can be selected to help control retort operations and to maximize oil yield. Extreme variations in oil shale grade that may be encountered as a function of depth can be dealt with by appropriate changes in the composition and flow rate of the inlet gas. In addition, we show that substituting oxygen diluted with steam or CO2 (for air or air diluted with steam) can make significant improvements in the heating value of the effluent gas. Finally, we demonstrate the feasibility of retorting through a substantial interval of very low-grade shale. Introduction LLNL has been developing technology applicable to the MIS process of extracting oil from oil shale.1,2 Our program has involved the experimental measurement of chemical reactions and reaction kinetics,3 the operation of pilot-scale retorts,4 and the development of a mathematical model of an MIS retort.5 The objective is to help establish the technical base required to evaluate and apply the MIS method on a commercial scale. A keystone of our program is the retort model, since it represents our cumulative knowledge of the chemical and physical processes involved in oil shale retorting. The retort model has been used in planning and interpreting pilot-scale retort experiments and has successfully predicted most of the results of those experiments.4 It has also been used in developing an operating strategy for a field MIS oil shale retorting experiment.6 The principal purpose of this work is to apply the retort model to a wide range of conditions for MIS retorting, focusing on larger retorts and larger shale particle sizes than can be investigated in a laboratory experiment. Before the results of those calculations are presented, the model is discussed in terms of its content and validity. Model Description The LLNL retort model is a transient, 1D treatment of a packed-bed retort. In developing the model, we adopted a mechanistic approach based on fundamental chemical and physical properties rather than empirical scaling of pilot retort experiments. The model contains no arbitrarily adjustable parameters. A complete mathematical description of the model has been given elsewhere.5 The important features, therefore, are reviewed here only briefly. Our model includes those processes believed to have the most important effects in either the hot-gas retorting mode or the forward combustion mode. The physical processes are axial convective transport of heat and mass, axial thermal dispersion, gas/solid heat transfer, intraparticle shale thermal conductivity, water vaporization and condensation, and wall heat loss. The chemical reactions within the shale particles are the release of bound water, pyrolysis of kerogen, coking of oil, pyrolysis of char, decomposition of carbonate materials, and gasification of residual organic carbon with CO2, H2O, and O2. The chemical reactions in the bulk-gas stream are the combustion and cracking of oil vapor, combustion of H2, CH4, CHx, and CO, and the water/gas shift. The model permits axial variations of initial shale composition, particle-size distribution, and bed void fraction. It also permits time-dependent variations of the composition, flow rate, and temperature of inlet gas. The governing equations for mass and energy balance are solved numerically by a semi-implicit, finite-difference method. The results of these calculations determine the oil yield, and the composition and temperature of both the gas stream and the shale particles as a function of time and location in the retort.


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