An example program for the determination of chemical rate coefficients from experimental data

SIMULATION ◽  
1968 ◽  
Vol 10 (2) ◽  
pp. 70-72
Author(s):  
Richard A. Nesbit ◽  
Robert D. Engel
Keyword(s):  
Experimental Data ◽  
Rate Coefficients ◽  
Rate Equations ◽  
Search Procedure ◽  
Squared Error ◽  
Fast Solution ◽  
Data Points ◽  
Chemical Rate ◽  
Param Eters

A program for matching experimental data to the com puted concentrations of various components of a dynamic chemical process is implemented. The digital subsection of the computer is programmed to execute a steepest descent search procedure. The analog section is programmed to solve the chemical rate equations which simulate the re action dynamics. These equations form a two-point bound ary value problem. The search procedure changes param eters in the rate equations, and it compares the computed concentrations to the experimental ones. The squared error is summed over all data points, and this sum is minimized by the search. Significant speedup of the solution to this type of problem is possible with the hybrid system due to the fast solution of the differential equations on the analog and the automated search pro cedure on the digital.

An example program for the determination of chemical rate coefficients from experimental data

SIMULATION ◽  
1967 ◽  
Vol 8 (3) ◽  
pp. 133-137 ◽  
Author(s):  
Richard A. Nesbit ◽  
Robert D. Engel
Keyword(s):  
Experimental Data ◽  
Rate Coefficients ◽  
Rate Equations ◽  
Search Procedure ◽  
Squared Error ◽  
Fast Solution ◽  
Data Points ◽  
Chemical Rate ◽  
Param Eters

A program for matching experimental data to the com puted concentrations of various components of a dynamic chemical process is implemented. The digital subsection of the computer is programmed to execute a steepest descent search procedure. The analog section is programmed to solve the chemical rate equations which simulate the re action dynamics. These equations form a two-point bound ary value problem. The search procedure changes param eters in the rate equations, and it compares the computed concentrations to the experimental ones. The squared error is summed over all data points, and this sum is minimized by the search. Significant speedup of the solution to this type of problem is possible with the hy brid system due to the fast solution of the differential equations on the analog and the automated search pro cedure on the digital.

scholarly journals Experimental Determination of the Buckling Loads of Floating Ice Sheets

1983 ◽  
Vol 4 ◽  
pp. 260-265 ◽  
Author(s):  
D. S. Sodhi ◽  
F. D. Haynes ◽  
K. Kato ◽  
K. Hirayama
Keyword(s):  
Experimental Data ◽  
Boundary Conditions ◽  
Experimental Determination ◽  
Characteristic Length ◽  
Ice Sheets ◽  
Ice Sheet ◽  
Experimental Results ◽  
Buckling Loads ◽  
Data Points

Experiments were performed to determine the forces required to buckle a floating ice sheet pushing against structures of different widths. The characteristic length of each ice sheet was determined to enable a comparison to be made between the theoretical and experimental results.Most of the experimental data points are within the range of the theoretical values of normalized buckling loads for frictionless and hinged boundary conditions, which represent the extreme situations for ice-structure contact. Thus, the agreement between the theoretical and experimental buckling loads is considered to be good. Photographs of the buckled ice sheets show a resemblance to the theoretical mode of buckling.

scholarly journals Experimental Determination of the Buckling Loads of Floating Ice Sheets

1983 ◽  
Vol 4 ◽  
pp. 260-265 ◽  
Author(s):  
D. S. Sodhi ◽  
F. D. Haynes ◽  
K. Kato ◽  
K. Hirayama
Keyword(s):  
Experimental Data ◽  
Boundary Conditions ◽  
Experimental Determination ◽  
Characteristic Length ◽  
Ice Sheets ◽  
Ice Sheet ◽  
Experimental Results ◽  
Buckling Loads ◽  
Data Points

Experiments were performed to determine the forces required to buckle a floating ice sheet pushing against structures of different widths. The characteristic length of each ice sheet was determined to enable a comparison to be made between the theoretical and experimental results. Most of the experimental data points are within the range of the theoretical values of normalized buckling loads for frictionless and hinged boundary conditions, which represent the extreme situations for ice-structure contact. Thus, the agreement between the theoretical and experimental buckling loads is considered to be good. Photographs of the buckled ice sheets show a resemblance to the theoretical mode of buckling.

Determination of the International Sensitivity Index of a New Near-Patient Testing Device to Monitor Oral Anticoagulant Therapy

1997 ◽  
Vol 78 (02) ◽  
pp. 855-858 ◽  
Author(s):  
Armando Tripodi ◽  
Veena Chantarangkul ◽  
Marigrazia Clerici ◽  
Barbara Negri ◽  
Pier Mannuccio Mannucci
Keyword(s):  
Linear Relationship ◽  
Whole Blood ◽  
Oral Anticoagulant ◽  
Oral Anticoagulant Therapy ◽  
Oral Anticoagulants ◽  
Calibration Model ◽  
Testing Device ◽  
Data Points ◽  
Near Patient Testing

SummaryA key issue for the reliable use of new devices for the laboratory control of oral anticoagulant therapy with the INR is their conformity to the calibration model. In the past, their adequacy has mostly been assessed empirically without reference to the calibration model and the use of International Reference Preparations (IRP) for thromboplastin. In this study we reviewed the requirements to be fulfilled and applied them to the calibration of a new near-patient testing device (TAS, Cardiovascular Diagnostics) which uses thromboplastin-containing test cards for determination of the INR. On each of 10 working days citrat- ed whole blood and plasma samples were obtained from 2 healthy subjects and 6 patients on oral anticoagulants. PT testing on whole blood and plasma was done with the TAS and parallel testing for plasma by the manual technique with the IRP CRM 149S. Conformity to the calibration model was judged satisfactory if the following requirements were met: (i) there was a linear relationship between paired log-PTs (TAS vs CRM 149S); (ii) the regression line drawn through patients data points, passed through those of normals; (iii) the precision of the calibration expressed as the CV of the slope was <3%. A good linear relationship was observed for calibration plots for plasma and whole blood (r = 0.98). Regression lines drawn through patients data points, passed through those of normals. The CVs of the slope were in both cases 2.2% and the ISIs were 0.965 and 1.000 for whole blood and plasma. In conclusion, our study shows that near-patient testing devices can be considered reliable tools to measure INR in patients on oral anticoagulants and provides guidelines for their evaluation.

Identifying Physico-Chemical Laws from the Robotically Collected Data

2019 ◽  
Author(s):  
Liwei Cao ◽  
Danilo Russo ◽  
Vassilios S. Vassiliadis ◽  
Alexei Lapkin
Keyword(s):  
Experimental Data ◽  
Numerical Models ◽  
Predictor Variable ◽  
Physical Models ◽  
Training Data ◽  
Mixed Integer ◽  
Physico Chemical ◽  
Data Points ◽  
Future Work ◽  
The Relationship

<p>A mixed-integer nonlinear programming (MINLP) formulation for symbolic regression was proposed to identify physical models from noisy experimental data. The formulation was tested using numerical models and was found to be more efficient than the previous literature example with respect to the number of predictor variables and training data points. The globally optimal search was extended to identify physical models and to cope with noise in the experimental data predictor variable. The methodology was coupled with the collection of experimental data in an automated fashion, and was proven to be successful in identifying the correct physical models describing the relationship between the shear stress and shear rate for both Newtonian and non-Newtonian fluids, and simple kinetic laws of reactions. Future work will focus on addressing the limitations of the formulation presented in this work, by extending it to be able to address larger complex physical models.</p><p><br></p>

Equilibrium Sorptions in Heterogeneous Ion Exchange Membranes

1992 ◽  
Vol 57 (9) ◽  
pp. 1905-1914
Author(s):  
Miroslav Bleha ◽  
Věra Šumberová
Keyword(s):  
Experimental Data ◽  
Ion Exchange ◽  
Total Content ◽  
Distribution Coefficients ◽  
Exchange Capacity ◽  
Ion Exchange Membranes ◽  
Ion Exchange Capacity ◽  
Equilibrium Sorption ◽  
Inhomogeneity Factor

The equilibrium sorption of uni-univalent electrolytes (NaCl, KCl) in heterogeneous cation exchange membranes with various contents of the ion exchange component and in ion exchange membranes Ralex was investigated. Using experimental data which express the concentration dependence of equilibrium sorption, validity of the Donnan relation for the systems under investigation was tested and values of the Glueckauf inhomogeneity factor for Ralex membranes were determined. Determination of the equilibrium sorption allows the effect of the total content of internal water and of the ion-exchange capacity on the distribution coefficients of the electrolyte to be determined.

Determination of Complex Reaction Mechanisms

2006 ◽  
Author(s):  
John Ross ◽  
Igor Schreiber ◽  
Marcel O. Vlad
Keyword(s):  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Reaction Pathway ◽  
Chemical Species ◽  
Rate Coefficients ◽  
Chemical System ◽  
Evolutionary Development ◽  
Complex Reaction ◽  
Oscillatory Reactions

In a chemical system with many chemical species several questions can be asked: what species react with other species: in what temporal order: and with what results? These questions have been asked for over one hundred years about simple and complex chemical systems, and the answers constitute the macroscopic reaction mechanism. In Determination of Complex Reaction Mechanisms authors John Ross, Igor Schreiber, and Marcel Vlad present several systematic approaches for obtaining information on the causal connectivity of chemical species, on correlations of chemical species, on the reaction pathway, and on the reaction mechanism. Basic pulse theory is demonstrated and tested in an experiment on glycolysis. In a second approach, measurements on time series of concentrations are used to construct correlation functions and a theory is developed which shows that from these functions information may be inferred on the reaction pathway, the reaction mechanism, and the centers of control in that mechanism. A third approach is based on application of genetic algorithm methods to the study of the evolutionary development of a reaction mechanism, to the attainment given goals in a mechanism, and to the determination of a reaction mechanism and rate coefficients by comparison with experiment. Responses of non-linear systems to pulses or other perturbations are analyzed, and mechanisms of oscillatory reactions are presented in detail. The concluding chapters give an introduction to bioinformatics and statistical methods for determining reaction mechanisms.

Numerical evaluation of hydrodynamic characteristics of planing hulls by using a hybrid method

2021 ◽  
pp. 147509022199024
Author(s):  
Emre Kahramanoglu ◽  
Silvia Pennino ◽  
Huseyin Yilmaz
Keyword(s):  
Experimental Data ◽  
Hybrid Method ◽  
Design Stage ◽  
Hydrodynamic Characteristics ◽  
Calm Water ◽  
Preliminary Design Stage ◽  
Reduction Function ◽  
Hull Forms ◽  
Good Agreement

The hydrodynamic characteristics of the planing hulls in particular at the planing regime are completely different from the conventional hull forms and the determination of these characteristics is more complicated. In the present study, calm water hydrodynamic characteristics of planing hulls are investigated using a hybrid method. The hybrid method combines the dynamic trim and sinkage from the Zarnick approach with the Savitsky method in order to calculate the total resistance of the planing hull. Since the obtained dynamic trim and sinkage values by using the original Zarnick approach are not in good agreement with experimental data, an improvement is applied to the hybrid method using a reduction function proposed by Garme. The numerical results obtained by the hybrid and improved hybrid method are compared with each other and available experimental data. The results indicate that the improved hybrid method gives better results compared to the hybrid method, especially for the dynamic trim and resistance. Although the results have some discrepancies with experimental data in terms of resistance, trim and sinkage, the improved hybrid method becomes appealing particularly for the preliminary design stage of the planing hulls.

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