scholarly journals Comparison of Conformational Phase Behavior for Flexible and Semiflexible Polymers

Polymers ◽  
2020 ◽  
Vol 12 (12) ◽  
pp. 3013
Author(s):  
Dilimulati Aierken ◽  
Michael Bachmann
Keyword(s):  
Inflection Point ◽  
High Accuracy ◽  
Bending Stiffness ◽  
Random Coil ◽  
Replica Exchange ◽  
Semiflexible Polymers ◽  
Flexible Polymers ◽  
First Order ◽  
Replica Exchange Monte Carlo ◽  
The Impact

We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character and order of transitions between random-coil, globules, and pseudocrystalline conformations. The high-accuracy estimates of the microcanonical entropy and its derivatives required for this study were obtained by extensive replica-exchange Monte Carlo simulations. We observe that the transition behavior into the compact phases changes qualitatively with increasing bending stiffness. Whereas the Θ collapse transition is less affected, the first-order liquid-solid transition characteristic for flexible polymers ceases to exist once bending effects dominate over attractive monomer-monomer interactions.

scholarly journals Research on the Economic Development Threshold Effect of the Employment Density of the Shanghai Consumer Goods Industry in the Context of New Manufacturing, Based on the Experience Comparison with International Metropolis

Mathematics ◽  
2021 ◽  
Vol 9 (9) ◽  
pp. 969
Author(s):  
Lei Shen ◽  
Xi Zhang ◽  
Hongda Liu ◽  
Pinbo Yao
Keyword(s):  
Economic Development ◽  
Population Density ◽  
Consumer Goods ◽  
Inflection Point ◽  
Growth Potential ◽  
Positive Trend ◽  
Employment Density ◽  
Consumer Goods Industry ◽  
The Impact ◽  
Development Threshold

With the rise of a new generation of technology and industrial changes, the service-oriented manufacturing industry has become the direction of future development. With the background of new manufacturing, this paper constructs an economic development threshold model of employment density of consumer goods industry based on data from Shanghai and Tokyo from 2007 to 2016, and empirically analyzes the impact of the employment density of the consumer goods industry on urban economic development under different population densities. At the same time, by comparing the experience of Tokyo, the development status and prospects of Shanghai’s consumer goods industry are explored. The study found that the threshold of Tokyo’s consumer goods industry is 0.608. When population density is lower than this threshold, the consumer goods industry continues to promote the economic development of Tokyo; however, when the population density is higher than this threshold, the consumer goods industry begins to inhibit the economic development of Tokyo. The Shanghai consumer goods industry threshold is 0.329. Under the threshold, most of the consumer goods industry contributions to the economy are negative, but above the threshold, they begin to show a positive trend. The inflection point of the effect curve of Tokyo’s consumer goods industry on economic development has appeared, but the inflection point of Shanghai’s consumer goods industry has not yet appeared. Compared with Tokyo, the economic vitality of Shanghai’s consumer goods industry has not yet been fully released. With the continued increase of population density in Shanghai, the growth potential of the consumer goods industry is huge, and it is expected to reshape the flourishing age of Shanghai’s light industry brand.

Optimal Capacitors Placement of Distribution Systems Using 2nd Order Power Loss Sensitivity Analysis and Hierarchical Clustering

2014 ◽  
Vol 986-987 ◽  
pp. 377-382 ◽  
Author(s):  
Hui Min Gao ◽  
Jian Min Zhang ◽  
Chen Xi Wu
Keyword(s):  
Sensitivity Analysis ◽  
Hierarchical Clustering ◽  
Distribution System ◽  
Power Flow ◽  
Distribution Systems ◽  
Reactive Power ◽  
Digital Simulation ◽  
Second Order ◽  
First Order ◽  
The Impact

Heuristic methods by first order sensitivity analysis are often used to determine location of capacitors of distribution power system. The selected nodes by first order sensitivity analysis often have virtual high by first order sensitivities, which could not obtain the optimal results. This paper presents an effective method to optimally determine the location and capacities of capacitors of distribution systems, based on an innovative approach by the second order sensitivity analysis and hierarchical clustering. The approach determines the location by the second order sensitivity analysis. Comparing with the traditional method, the new method considers the nonlinear factor of power flow equation and the impact of the latter selected compensation nodes on the previously selected compensation location. This method is tested on a 28-bus distribution system. Digital simulation results show that the reactive power optimization plan with the proposed method is more economic while maintaining the same level of effectiveness.

scholarly journals Reuse of Newspaper As An Adsorbent For Cu (II) Removal By Citric Acid Modification

2018 ◽  
Vol 156 ◽  
pp. 02012 ◽  
Author(s):  
Mardiah ◽  
Rif’an Fathoni ◽  
Pratiwi Pudyaningtyas ◽  
Hamdania Gamu ◽  
Rinaldy
Keyword(s):  
Citric Acid ◽  
Adsorption Process ◽  
Kinetic Studies ◽  
Order Reaction ◽  
Acid Modification ◽  
Pseudo First Order Reaction ◽  
First Order ◽  
Pseudo Second Order ◽  
Heavy Metal Adsorbent ◽  
The Impact

High Consumption of paper, bring the impact of the waste paper itself. And the utilization of the paper is limited to recycled products and crafts, whereas paper such as newspaper still contains cellulose that can be potential to be used as a heavy metal adsorbent. In this study, newspaper was dissolved in sodium bicarbonate to reduce various impurities and then was reacted with citric acid (CA). The modified adsorbent was characterized by FTIR and was tested for adsorb Cu(II) in artificial solution. After adsorption process, the solution was filtered and analysed using Atomic Absorption Spectrophotometer (AAS). The adsorption experimental data was fitted to Langmuir, Freundlich, Tempkin, and Dubinin-Radushkevich for equilibrium model and was fitted to pseudo first order reaction and pseudo second order reaction for kinetic studies. The result showed that CA-modification newspaper able to remove heavy metals Cu(II) in solution.

scholarly journals In Silico Generation of Peptides by Replica Exchange Monte Carlo: Docking-Based Optimization of Maltose-Binding-Protein Ligands

PLoS ONE ◽  
2015 ◽  
Vol 10 (8) ◽  
pp. e0133571 ◽  
Author(s):  
Anna Russo ◽  
Pasqualina Liana Scognamiglio ◽  
Rolando Pablo Hong Enriquez ◽  
Carlo Santambrogio ◽  
Rita Grandori ◽  
...  
Keyword(s):  
Monte Carlo ◽  
In Silico ◽  
Binding Protein ◽  
Maltose Binding Protein ◽  
Replica Exchange ◽  
Protein Ligands ◽  
Replica Exchange Monte Carlo

scholarly journals Исследование влияния слабых магнитных полей на термодинамические свойства модели Поттса с числом состояний спина q=4 на гексагональной решетке

2022 ◽  
Vol 64 (2) ◽  
pp. 237
Author(s):  
М.К. Рамазанов ◽  
А.К. Муртазаев ◽  
М.А. Магомедов ◽  
М.К. Мазагаева ◽  
М.Р. Джамалудинов
Keyword(s):  
Hexagonal Lattice ◽  
Replica Exchange ◽  
Study Phase ◽  
Spin States ◽  
First Order ◽  
Weak Magnetic Fields ◽  
First Order Phase Transition ◽  
The Monte Carlo Method ◽  
First Order Phase ◽  
The Magnetic Field

The replica exchange algorithm of the Monte Carlo method was used to study phase transitions and thermodynamic properties of the two-dimensional Potts model with the number of spin states q = 4 on a hexagonal lattice in weak magnetic fields. The studies were carried out for the interval of the magnetic field value 0.0 ≤ Н ≤ 3.0 with a step of 1.0. It is found that a first-order phase transition is observed in the considered range of field values.

Simplified estimation of forage degradability in the rumen assuming zero-order degradation kinetics

2008 ◽  
Vol 147 (3) ◽  
pp. 225-240 ◽  
Author(s):  
M. S. DHANOA ◽  
S. LÓPEZ ◽  
R. SANDERSON ◽  
J. FRANCE
Keyword(s):  
Reference Values ◽  
Incubation Time ◽  
Lag Time ◽  
Zero Order ◽  
Regression Equations ◽  
Order Model ◽  
First Order ◽  
Simplified Procedure ◽  
The Impact ◽  
Time Point

SUMMARYIn the present paper, a simplified procedure using few in situ data points is derived and then evaluated (using a large database) against reference values estimated with the standard nylon bag first-order kinetics model. The procedure proposed involved a two-stage mathematical process, with a statistical prediction of some degradation parameters (such as lag time) and then a kinetic model derived by assuming degradation follows zero-order kinetics to determine effective degradability in the rumen (E). In addition to the estimation of washout fraction and discrete lag, which is common to both procedures, the simplified procedure requires measurement of dry matter losses at one incubation time point only. Thus, interference of the animal rumen will be much reduced, which will lead to increased capacity for feed evaluation. Calibration of the zero-order model against the first-order model showed that suitable estimates of E can be obtained with disappearance at 24, 48 or 72 h as the single incubation end time point. The strength of the calibration is such that an end incubation time point as low as 24 h may be sufficient, which may reduce substantially the total incubation time required and thus the impact on the experimental animal. Relevant regression equations to predict reference values of parameters such as lag time or E are also developed and validated.

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