scholarly journals A Novel Kinetic Modeling Framework for the Polycondensation of Sugars Using Monte Carlo and the Method of Moments

Processes ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 745
Author(s):  
Dimitrios Meimaroglou ◽  
Sandrine Hoppe ◽  
Baptiste Boit
Keyword(s):  
Monte Carlo ◽  
Kinetic Modeling ◽  
Method Of Moments ◽  
Kinetic Monte Carlo ◽  
Kinetic Scheme ◽  
Modeling Framework ◽  
Industrial Sectors ◽  
The Monte Carlo Method ◽  
Reacting Systems ◽  
High Degree

The kinetics of the hydrolysis and polycondensation reactions of saccharides have made the subject of numerous studies, due to their importance in several industrial sectors. The present work, presents a novel kinetic modeling framework that is specifically well-suited to reacting systems under strict moisture control that favor the polycondensation reactions towards the formation of high-degree polysaccharides. The proposed model is based on an extended and generalized kinetic scheme, including also the presence of polyols, and is formulated using two different numerical approaches, namely a deterministic one in terms of the method of moments and a stochastic kinetic Monte Carlo approach. Accordingly, the most significant advantages and drawbacks of each technique are clearly demonstrated and the most fitted one (i.e., the Monte Carlo method) is implemented for the modeling of the system under different conditions, for which experimental data were available. Through these comparisons it is shown that the model can successfully follow the evolution of the reactions up to the formation of polysaccharides of very high degrees of polymerization.

Computer simulations of polyatomic molecules - I. Monte Carlo studies of hard diatomics

1976 ◽  
Vol 348 (1655) ◽  
pp. 485-510 ◽  
Keyword(s):  
Monte Carlo ◽  
Correlation Function ◽  
Pair Correlation Function ◽  
Hard Spheres ◽  
Pair Correlation ◽  
Harmonic Series ◽  
The Monte Carlo Method ◽  
Monte Carlo Studies ◽  
High Degree ◽  
Orientational Structure

The Monte Carlo method has been used to study a model system of 256 hard diatomic molecules, each consisting of two fused hard spheres of diameter σ with centres separated by reduced distance L = L/σ of 0.2, 0.4 and 0.6, at densities typical of the liquid state. The orientational structure of dense, hard diatomic fluids has been studied by calculating up to sixteen terms in the expansion of the total pair correlation function, g ( r 12 , ω 1 , ω 2 ), in spherical harmonics. The coefficients g u'm ( r 12) the series have been calculated as ensemble averages in the simulation. At short distances, the system exhibits a high degree of angular correlation, which increases with increasing density and elongation; however, this correlation is relatively short ranged at all densities and elongations, and in no case is there significant angular structure at distances greater than twice the major diameter of the molecule. In the nearest neighbour shell there is a strong preference for 'T-shaped’ pair orientations. At low elongations and densities the spherical harmonic coefficients are in close agreement with those predicted both by the ‘blip function’ theory and the solution of the Percus-Yevick equation for hard diatomics. The harmonic series for the total pair correlation function, is rapidly convergent at distances greater than L + σ , but slowly convergent at smaller distances. The results are suitable for use as a non-spherical reference system for perturbation calculations.

scholarly journals Uncertainty in flow stress measurements using X-ray diffraction for sheet metals subjected to large plastic deformations

2016 ◽  
Vol 49 (6) ◽  
pp. 1991-2004 ◽  
Author(s):  
Y. Jeong ◽  
T. Gnäupel-Herold ◽  
M. Iadicola ◽  
A. Creuziger
Keyword(s):  
Monte Carlo ◽  
Optimal Number ◽  
Interstitial Free ◽  
X Ray Diffraction ◽  
Modeling Framework ◽  
X Ray ◽  
Virtual Experiments ◽  
The Monte Carlo Method ◽  
Incomplete Measurement ◽  
Counting Statistics

X-ray diffraction techniques have been developed to measure flow stresses of polycrystalline sheet metal specimens subjected to large plastic deformation. The uncertainty in the measured stress based on this technique has not been quantified previously owing to the lack of an appropriate method. In this article, the propagation of four selected elements of experimental error is studied on the basis of the elasto-viscoplastic self-consistent modeling framework: (1) the counting statistics error; (2) the range of tilting angles in use; (3) the use of a finite number of tilting angles; and (4) the incomplete measurement of diffraction elastic constants. Uncertainties propagated to the diffraction stress are estimated by conducting virtual experiments based on the Monte Carlo method demonstrated for a rolled interstitial-free steel sheet. A systematic report on the quantitative uncertainty is provided. It is also demonstrated that the results of the Monte Carlo virtual experiments can be used to find an optimal number of tilting angles and diffraction elastic constant measurements to use without loss of quality.

scholarly journals Prediksi Optimal dalam Produksi Bata Merah Menggunakan Metode Monte Carlo

2020 ◽  
Vol 2 (1) ◽  
pp. 13-20
Author(s):  
Hendro Zalmadani ◽  
Julius Santony ◽  
Yuhandri Yunus
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Production Process ◽  
Production Cost ◽  
Business Owners ◽  
Production Data ◽  
Sales Revenue ◽  
The Monte Carlo Method ◽  
Average Accuracy ◽  
High Degree

The availability of red bricks on the market is a problem that must be addressed. Because the availability of red brick affects sales revenue. The purpose of this research in the Small and Medium Micro Business of the Red Brick City of Pariaman is to predict the production of red bricks to find out income and find out the next production. So this research can make it easier for business owners to find out how much it will cost for the next production cost. The data used in this study are production data from 2017 to 2019 which are processed using the Monte Carlo method. Based on the results of production prediction testing that has been done, it is found that the average accuracy is 90%. With the results of a high degree of accuracy, the application of the monte carlo method is considered to be able to predict production annually. Making it easier for business owners to determine the costs incurred in the next production process.

UGR CALCULATION BASED ON THE LUMINANCE SPATIAL-ANGULAR DISTRIBUTION

2020 ◽  
Vol 2020 (4) ◽  
pp. 25-32
Author(s):  
Viktor Zheltov ◽  
Viktor Chembaev
Keyword(s):  
Monte Carlo ◽  
Angular Distribution ◽  
Monte Carlo Method ◽  
Visual Task ◽  
New Method ◽  
Lighting System ◽  
Preliminary Assessment ◽  
System A ◽  
The Monte Carlo Method

The article has considered the calculation of the unified glare rating (UGR) based on the luminance spatial-angular distribution (LSAD). The method of local estimations of the Monte Carlo method is proposed as a method for modeling LSAD. On the basis of LSAD, it becomes possible to evaluate the quality of lighting by many criteria, including the generally accepted UGR. UGR allows preliminary assessment of the level of comfort for performing a visual task in a lighting system. A new method of "pixel-by-pixel" calculation of UGR based on LSAD is proposed.

PSHA software review based on the Monte Carlo method

2020 ◽  
pp. 14-24
Author(s):  
V.A. Mironov ◽  
S.A. Peretokin ◽  
K.V. Simonov
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Seismic Hazard ◽  
Hazard Analysis ◽  
Software Review ◽  
Seismic Hazard Analysis ◽  
Probabilistic Seismic Hazard ◽  
Test Calculation ◽  
Seismic Surveys ◽  
The Monte Carlo Method

The article is a continuation of the software research to perform probabilistic seismic hazard analysis (PSHA) as one of the main stages in engineering seismic surveys. The article provides an overview of modern software for PSHA based on the Monte Carlo method, describes in detail the work of foreign programs OpenQuake Engine and EqHaz. A test calculation of seismic hazard was carried out to compare the functionality of domestic and foreign software.

Application of the Monte Carlo Method for the Prediction of Behavior of Peptides

2019 ◽  
Vol 20 (12) ◽  
pp. 1151-1157 ◽  
Author(s):  
Alla P. Toropova ◽  
Andrey A. Toropov
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Natural Sciences ◽  
Monte Carlo Technique ◽  
Quantitative Structure ◽  
Structure Property ◽  
The Monte Carlo Method ◽  
Modern Natural

Prediction of physicochemical and biochemical behavior of peptides is an important and attractive task of the modern natural sciences, since these substances have a key role in life processes. The Monte Carlo technique is a possible way to solve the above task. The Monte Carlo method is a tool with different applications relative to the study of peptides: (i) analysis of the 3D configurations (conformers); (ii) establishment of quantitative structure – property / activity relationships (QSPRs/QSARs); and (iii) development of databases on the biopolymers. Current ideas related to application of the Monte Carlo technique for studying peptides and biopolymers have been discussed in this review.

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