Quality Assurance for Chemistry and Environmental Science: Metrology from pH Measurement to Nuclear Waste Disposal

Przednia okładka
Springer Science & Business Media, 18 wrz 2007 - 326

Metrology and its applications e.g. in chemical or food analysis or in environmental monitoring are entering our daily life. This book provides a basic overview over the relevant metrological concepts like traceability, ISO uncertainties or cause-and-effect diagrams. The applications described in great detail range from progression-of-error type evaluation of the measurement uncertainty budget to complex applications like pH measurement or speciation calculations for aqueous solutions. The consequences of a measurement uncertainty concept for chemical data are outlined for geochemical modeling applied to transport in the subsurface and to nuclear waste disposal. Special sections deal with the deficits of existing thermodynamic data for these applications and with the current position of chemical metrology in respect to other quality assurance measures, e.g. ISO 900x, GLP, European and U.S.-American standards.

 

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Spis treści

Concepts of Metrology
1
11 Organisation and Framework
2
112 The International Framework in Metrology
7
Convention and Definitions
9
A Measurement is a Comparison
10
123 Concepts of Metrology
13
13 Statistics
23
132 Distributions
24
186 Over estimation of Measurement Results
133
The Need for Performance Assessment of Analytical Chemistry Methods
137
Metrology in Chemistry and Geochemical Modeling
141
211 Ground water Models
144
2121 Finite Differences
146
2122 Finite Volumes
147
213 Discretisation Methods for Time
149
215 Geochemical Models
150

134 Central Limit Theorem
27
135 Cumulative Normal Distribution
28
136 Empirical Distribution Function EDF
29
KolmogorovSmirnov Test
31
Linear Regression
32
139 Coverage and Confidence Regions
34
1310 Correlation
37
14 Metrology in Standard Situations
39
143 Nordtest Approach
40
Measurement of pH in a LowIonic Strength Water
41
15 Metrology in Complex Situations
48
152 Calibration by Ordinary Linear RegressionOLS
49
153 Alternative Methods for Obtaining Straight Line Parameters
53
1532 Weighted Least Squares Regression
54
1533 Bivariate Regression
56
154 Application Example
60
1543 Importance of Robust Regression Techniques
64
16 Metrology in Complex Situations NonNormalityCorrelation and NonLinearity
68
162 Bootstrapping Regression Schemes
73
1622 Fixed Regressors
75
Examples
79
A Working Example
81
173 CauseandEffect Approach to Quantities from Complex Situations
84
175 Correlation With in the Disturbances and Parameters The Moving Block BootstrapMBB
90
1761 Handling Data with Assigned Measurement Uncertainty Budget
98
1762 Stratified Sampling
104
Measurement Uncertainty and Law
109
1772 Assessing Compliance on Basis of Normal Approximation
111
1773 Loophole
112
178 FurtherConsiderations
113
18 Deficit Analysis of Existing Thermodynamic Data for Environmental Simulation
114
181 Uncertainty Contributions from Methodology and Practice
115
182 Uncertainty Contributions from Ionic Strength Corrections
118
183 Uncertainty Contributions from pH
124
184 Uncertainty Contributions from Metal Ion Concentration Determination
128
185 Uncertainties from Subsequent ManipulationSelection and Recalculation
130
22 Handling of Uncertainty in Geochemical Modeling
158
222 A Conceptual Model of Geochemical Modeling Codes
161
223 Importance of the Thermodynamic Database
163
224 Sensitivity Analysis
165
225 Uncertainty Analysis
169
23 Being Confronted with Geochemical Models and Their ResultsSome Guidelines
176
232 Its GoodIts Calculated by a Computer
177
24 Criteria for and Deficits in Chemical Data for Geochemical Modeling
182
242 Criteria for the Determination and Reporting of Thermodynamic Data
186
243 Comments
187
244 Deficit Analysis of Surface Interaction Parameters
188
Surface Complexation
191
246 Criteria for Determining and Reporting Data for Surface Interaction Parameters
200
Metrological Principles Applied to Geohydraulic Data
203
31 A Brief Summary in Geohydraulics
204
312 Transfer of LaboratoryDetermined Permeability Data to the Aquifer
218
313 Models for the ThreeDimensional Description of Permeabilities
220
321 Sample Quality and its Influence on Permeability Data
221
322 Pore Volume Measurement
225
3223 Discussion and Deficit Analysis of Porosity Determination
230
324 Contribution of Geophysical Methods to Permeability Measurements
237
325 InSitu Measurement of Permeability and Hydraulic Conductivity
241
33 CauseandEffect Analysis for Geohydraulic Measurement Values
256
333 Quality Criteria of Permeability Data
259
34 Practical Approach to the Application of Metrological Concepts in Geohydrology
265
342 A Practical Example
266
A Appendix
278
A2 A Brief Introduction into the Computer Codes
280
A3 Read Me Text and License Agreement
294
A32 Hardand Software Requirements
295
A33 Help Desk
296
A35 Final Provisions
297
References
299
Subject Index
323
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