Approximate Solutions to Some Problems in Polyelectrolyte Theory Involving Nonuniform Charge Distributions

2008 ◽  
Vol 41 (16) ◽  
pp. 6217-6227 ◽  
Author(s):  
Gerald S. Manning
Keyword(s):  
Approximate Solutions ◽  
Charge Distributions ◽  
Polyelectrolyte Theory

201. Electrostatic Charge Distributions on Airborne Microorganisms

2000 ◽  
Author(s):  
G. Mainelis ◽  
K. Willeke ◽  
S. Grinshpun ◽  
T. Reponen ◽  
S. Trakumas ◽  
...  
Keyword(s):  
Electrostatic Charge ◽  
Airborne Microorganisms ◽  
Charge Distributions

Interactive Graphics for the Analysis of Tires

1985 ◽  
Vol 13 (3) ◽  
pp. 127-146 ◽  
Author(s):  
R. Prabhakaran
Keyword(s):  
Finite Element Analysis ◽  
Finite Element ◽  
Approximate Solutions ◽  
Interactive Graphics ◽  
Element Analysis ◽  
Analysis Process ◽  
Physical Problems ◽  
The Finite Element Analysis ◽  
Analysis Computer ◽  
Discretization Technique

Abstract The finite element method, which is a numerical discretization technique for obtaining approximate solutions to complex physical problems, is accepted in many industries as the primary tool for structural analysis. Computer graphics is an essential ingredient of the finite element analysis process. The use of interactive graphics techniques for analysis of tires is discussed in this presentation. The features and capabilities of the program used for pre- and post-processing for finite element analysis at GenCorp are included.

A new algorithm for finding CRM-model coefficients

2019 ◽  
Vol 5 (3) ◽  
pp. 164-185 ◽  
Author(s):  
Alexander D. Bekman ◽  
Sergey V. Stepanov ◽  
Alexander A. Ruchkin ◽  
Dmitry V. Zelenin
Keyword(s):  
Approximate Solution ◽  
Optimization Problem ◽  
Optimal Solution ◽  
Complex Form ◽  
Approximate Solutions ◽  
The Other ◽  
Programming Algorithm ◽  
Stochastic Algorithms ◽  
Large Set ◽  
Flow Rates

The quantitative evaluation of producer and injector well interference based on well operation data (profiles of flow rates/injectivities and bottomhole/reservoir pressures) with the help of CRM (Capacitance-Resistive Models) is an optimization problem with large set of variables and constraints. The analytical solution cannot be found because of the complex form of the objective function for this problem. Attempts to find the solution with stochastic algorithms take unacceptable time and the result may be far from the optimal solution. Besides, the use of universal (commercial) optimizers hides the details of step by step solution from the user, for example&nbsp;— the ambiguity of the solution as the result of data inaccuracy.<br> The present article concerns two variants of CRM problem. The authors present a new algorithm of solving the problems with the help of “General Quadratic Programming Algorithm”. The main advantage of the new algorithm is the greater performance in comparison with the other known algorithms. Its other advantage is the possibility of an ambiguity analysis. This article studies the conditions which guarantee that the first variant of problem has a unique solution, which can be found with the presented algorithm. Another algorithm for finding the approximate solution for the second variant of the problem is also considered. The method of visualization of approximate solutions set is presented. The results of experiments comparing the new algorithm with some previously known are given.

Theoretical Computations on the Pyrolysis of Alkyl (dithio)acetates

2020 ◽  
Vol 17 (3) ◽  
pp. 224-233
Author(s):  
Xun Zhu ◽  
Chen Jian ◽  
Xiuqin Zhou ◽  
Abdullah M. Asiri ◽  
Khalid A. Alamry ◽  
...  
Keyword(s):  
Transition States ◽  
Membered Ring ◽  
Pyrolysis Process ◽  
Alkyl Esters ◽  
Charge Distributions ◽  
Theoretical Analyses

The pyrolysis of methyl alkyl esters I to III and dithioesters IV to VI were theoretically calculated. All possible pyrolysis paths were considered. Both esters and dithioesters presented three potential paths via six-, four- and five-membered ring transition states, respectively. The calculation processes were calculated using MP2/6-31G(d) set. In-depth theoretical analyses were also presented, including NBO related analyses, synchronicities, and charge distributions, to reveal the detailed pyrolysis process.

Comparison of non-empirical and semiempirical SCF MO calculations of non-substituted dihydropyridines

1981 ◽  
Vol 46 (9) ◽  
pp. 2068-2075 ◽  
Author(s):  
Stanislav Böhm ◽  
Josef Kuthan
Keyword(s):  
Ab Initio ◽  
Mo Calculations ◽  
Charge Distributions ◽  
Characteristic Features

Results of ab initio MO calculations of the dihydropyridine molecules I-V are confronted with analogous CNDO/2 and MINDO/3 calculations. The molecular energies calculated by means of the 4-31 G base predict the 6pi-electron isomers I and II to be the most stable dihydropyridine forms in contrast to the STO-3G and CNDO/2 data preferring the 4pi-electron isomers III-V. The charge distributions calculated non-empirically and semiempirically show different characteristic features.

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