A Suite of Advanced Tutorials for the GROMOS Biomolecular Simulation Software [Article v1.0]

2020 ◽  
Vol 2 (1) ◽  
Author(s):  
Niels Hansen ◽  
Christoph Öehlknecht ◽  
Anita de Ruiter ◽  
Bettina Lier ◽  
Wilfred F. van Gunsteren ◽  
...  
Keyword(s):  
Simulation Software ◽  
Biomolecular Simulation

scholarly journals New functionalities in the GROMOS biomolecular simulation software

2011 ◽  
Vol 33 (3) ◽  
pp. 340-353 ◽  
Author(s):  
Anna-Pitschna E. Kunz ◽  
Jane R. Allison ◽  
Daan P. Geerke ◽  
Bruno A. C. Horta ◽  
Philippe H. Hünenberger ◽  
...  
Keyword(s):  
Simulation Software ◽  
Biomolecular Simulation

Could biomass-fueled boilers be operated at higher steam temperatures? Part 3: Initial analysis of costs and benefits

TAPPI Journal ◽  
2014 ◽  
Vol 13 (8) ◽  
pp. 65-78 ◽  
Author(s):  
W.B.A. (SANDY) SHARP ◽  
W.J. JIM FREDERICK ◽  
JAMES R. KEISER ◽  
DOUGLAS L. SINGBEIL
Keyword(s):  
Flue Gas ◽  
Power Plants ◽  
Superheated Steam ◽  
Black Liquor ◽  
Simulation Software ◽  
Operating Conditions ◽  
Costs And Benefits ◽  
Steam Generation ◽  
Fireside Corrosion ◽  
Corrosion Resistant

The efficiencies of biomass-fueled power plants are much lower than those of coal-fueled plants because they restrict their exit steam temperatures to inhibit fireside corrosion of superheater tubes. However, restricting the temperature of a given mass of steam produced by a biomass boiler decreases the amount of power that can be generated from this steam in the turbine generator. This paper examines the relationship between the temperature of superheated steam produced by a boiler and the quantity of power that it can generate. The thermodynamic basis for this relationship is presented, and the value of the additional power that could be generated by operating with higher superheated steam temperatures is estimated. Calculations are presented for five plants that produce both steam and power. Two are powered by black liquor recovery boilers and three by wood-fired boilers. Steam generation parameters for these plants were supplied by industrial partners. Calculations using thermodynamics-based plant simulation software show that the value of the increased power that could be generated in these units by increasing superheated steam temperatures 100°C above current operating conditions ranges between US$2,410,000 and US$11,180,000 per year. The costs and benefits of achieving higher superheated steam conditions in an individual boiler depend on local plant conditions and the price of power. However, the magnitude of the increased power that can be generated by increasing superheated steam temperatures is so great that it appears to justify the cost of corrosion-mitigation methods such as installing corrosion-resistant materials costing far more than current superheater alloys; redesigning biomassfueled boilers to remove the superheater from the flue gas path; or adding chemicals to remove corrosive constituents from the flue gas. The most economic pathways to higher steam temperatures will very likely involve combinations of these methods. Particularly attractive approaches include installing more corrosion-resistant alloys in the hottest superheater locations, and relocating the superheater from the flue gas path to an externally-fired location or to the loop seal of a circulating fluidized bed boiler.

Development of a Jacobian Module for Advanced Pulp and Paper Simulation and Control

TAPPI Journal ◽  
2009 ◽  
Vol 8 (1) ◽  
pp. 4-11
Author(s):  
MOHAMED CHBEL ◽  
LUC LAPERRIÈRE
Keyword(s):  
Control System ◽  
Nonlinear Behavior ◽  
Simulation Software ◽  
Pulp And Paper ◽  
Pid Controllers ◽  
Tuning Parameters ◽  
Pid Tuning ◽  
Fixed Set ◽  
And Control ◽  
Operating Points

Pulp and paper processes frequently present nonlinear behavior, which means that process dynam-ics change with the operating points. These nonlinearities can challenge process control. PID controllers are the most popular controllers because they are simple and robust. However, a fixed set of PID tuning parameters is gen-erally not sufficient to optimize control of the process. Problems related to nonlinearities such as sluggish or oscilla-tory response can arise in different operating regions. Gain scheduling is a potential solution. In processes with mul-tiple control objectives, the control strategy must further evaluate loop interactions to decide on the pairing of manipulated and controlled variables that minimize the effect of such interactions and hence, optimize controller’s performance and stability. Using the CADSIM Plus™ commercial simulation software, we developed a Jacobian sim-ulation module that enables automatic bumps on the manipulated variables to calculate process gains at different operating points. These gains can be used in controller tuning. The module also enables the control system designer to evaluate loop interactions in a multivariable control system by calculating the Relative Gain Array (RGA) matrix, of which the Jacobian is an essential part.

A Highly Efficient and Optimised Simulation Based Multi objective Decision-Making for FMS Control

2018 ◽  
Vol 6 (6) ◽  
pp. 98
Author(s):  
Shreyanshu Parhi ◽  
S. C. Srivastava
Keyword(s):  
Decision Making ◽  
Real Time ◽  
Manufacturing Industry ◽  
Simulation Software ◽  
Shop Floor ◽  
Simulation Tool ◽  
Routing Flexibility ◽  
Decision System ◽  
Multi Objective ◽  
Arena Simulation

Optimized and efficient decision-making systems is the burning topic of research in modern manufacturing industry. The aforesaid statement is validated by the fact that the limitations of traditional decision-making system compresses the length and breadth of multi-objective decision-system application in FMS.  The bright area of FMS with more complexity in control and reduced simpler configuration plays a vital role in decision-making domain. The decision-making process consists of various activities such as collection of data from shop floor; appealing the decision-making activity; evaluation of alternatives and finally execution of best decisions. While studying and identifying a suitable decision-making approach the key critical factors such as decision automation levels, routing flexibility levels and control strategies are also considered. This paper investigates the cordial relation between the system ideality and process response time with various prospective of decision-making approaches responsible for shop-floor control of FMS. These cases are implemented to a real-time FMS problem and it is solved using ARENA simulation tool. ARENA is a simulation software that is used to calculate the industrial problems by creating a virtual shop floor environment. This proposed topology is being validated in real time solution of FMS problems with and without implementation of decision system in ARENA simulation tool. The real-time FMS problem is considered under the case of full routing flexibility. Finally, the comparative analysis of the results is done graphically and conclusion is drawn.

Integration of CAD/CAE/RP Environment for Developing a New Product in Medical Field

2020 ◽  
Vol 38 (9A) ◽  
pp. 1276-1282
Author(s):  
Nabeel I. Allawy ◽  
Amjad B. Abdulghafour
Keyword(s):  
Maxillofacial Surgery ◽  
Essential Element ◽  
Severe Trauma ◽  
Simulation Software ◽  
Oral And Maxillofacial Surgery ◽  
Virtual Surgery ◽  
Multiple Fractures ◽  
Engineering Programs ◽  
Mesh Model ◽  
The Face

Reconstruction of the mandible after severe trauma is one of the most difficult challenges facing oral and maxillofacial surgery. The mandible is an essential element in the appearance of the human face that gives the distinctive shape of the face, holds. This paper aims to propose a methodology that allows the surgeon to perform virtual surgery by investing engineering programs to place the implant by default and with high accuracy within the mandible based on the patient's medical data. The current study involved a 35-year-old man suffering from a traffic accident in the mandible with multiple fractures of the facial bones. Basically, an identification of the steps required to perform virtual surgery and modeling images from the CBCT technology has been done by using the software proposed in the research. The implant model is designed as a mesh model, allowing the patient to return to a normal position. Moreover, an application of FEA procedures using the Solidworks simulation software to test and verify the mechanical properties of the final transplant.

Mathematical model to predict the characteristics of polarization in dielectric materials: The concept of piezoelectrcity and electrostriction

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Mathematical Model ◽  
Electric Field ◽  
Lead Zirconate Titanate ◽  
Dielectric Material ◽  
Strain Curve ◽  
Dielectric Materials ◽  
Lead Zirconate ◽  
Simulation Software ◽  
Constitutive Law ◽  
Basic Material

Model was developed for the prediction of polarization characteristics in a dielectric material exhibiting piezoelectricity and electrostriction based on mathematical equations and MATLAB computer simulation software. The model was developed based on equations of polarization and piezoelectric constitutive law and the functional coefficient of Lead Zirconate Titanate (PZT) crystal material used was 2.3×10-6 m (thickness), the model further allows the input of basic material and calculation of parameters of applied voltage levels, applied stress, pressure, dielectric material properties and so on, to generate the polarization curve, strain curve and the expected deformation change in the material length charts. The mathematical model revealed that an application of 5 volts across the terminals of a 2.3×10-6 m thick dielectric material (PZT) predicted a 1.95×10-9 m change in length of the material, which indicates piezoelectric properties. Both polarization and electric field curve as well as strain and voltage curve were also generated and the result revealed a linear proportionality of the compared parameters, indicating a resultant increase in the electric field yields higher polarization of the dielectric materials atmosphere.

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