Synergistic Use of Vis-NIR, MIR, and XRF Spectroscopy for the Determination of Soil Geochemistry

Proposed legislation to secure and maintain soil quality in Europe has generated interest surrounding how best to characterize soil geochemistry, and how to assess and monitor soil contamination. Visible-near infrared (vis-NIR), mid-infrared (MIR), and portable X-ray fluorescence (pXRF) spectroscopy can reduce time and cost associated with new soil monitoring programs. Before becoming deployable, accuracy of these techniques needs to be quantified. This study investigated potential of these techniques to characterize a full suite of soil geochemistry (40 elements), pH, and soil organic carbon (SOC) in a diverse set of agricultural soils from the Irish National Soil Database (NSDB) archive. Cubist models were employed to assess goodness of fit from spectrally derived estimates of each soil property. Then a model ensemble, or model averaging, approach was tested to examine if combining model outcomes of either vis-NIR or MIR with pXRF could improve accuracy of soil property prediction. In total, 15 of the 42 soil properties could be predicted to a good accuracy status using individual spectral methods, mostly achieved by MIR and pXRF. Combining model outcomes of vis-NIR or MIR with pXRF resulted in a positive improvement, increasing the number of soil properties that could be predicted from 15 to 25. Most notably is the large number of trace elements (As, Cd, Co, Cu, Hg, Mn, Ni, and Zn) predicted to good or reasonable accuracy. It was concluded that the synergistic use of vis-NIR, MIR, and pXRF spectral methods is well placed as a tool to permit large scale routine soil monitoring.

[1]  A. McBratney,et al.  Critical review of chemometric indicators commonly used for assessing the quality of the prediction of soil attributes by NIR spectroscopy , 2010 .

[2]  Thomas Kemper,et al.  Estimate of heavy metal contamination in soils after a mining accident using reflectance spectroscopy. , 2002, Environmental science & technology.

[3]  J. M. Soriano-Disla,et al.  The Performance of Visible, Near-, and Mid-Infrared Reflectance Spectroscopy for Prediction of Soil Physical, Chemical, and Biological Properties , 2014 .

[4]  A. Gałuszka,et al.  Geochemical background - an environmental perspective , 2011 .

[5]  Wenyou Hu,et al.  Metals Analysis of Agricultural Soils via Portable X-ray Fluorescence Spectrometry , 2014, Bulletin of Environmental Contamination and Toxicology.

[6]  A. Walkley,et al.  AN EXAMINATION OF THE DEGTJAREFF METHOD FOR DETERMINING SOIL ORGANIC MATTER, AND A PROPOSED MODIFICATION OF THE CHROMIC ACID TITRATION METHOD , 1934 .

[7]  C. Micó,et al.  Baseline values for heavy metals in agricultural soils in an European Mediterranean region. , 2007, The Science of the total environment.

[8]  D. F. Malley,et al.  Use of Near-Infrared Reflectance Spectroscopy in Prediction of Heavy Metals in Freshwater Sediment by Their Association with Organic Matter , 1997 .

[9]  C. Granger,et al.  Improved methods of combining forecasts , 1984 .

[10]  Heather E. Canavan,et al.  Energy-dispersive X-ray fluorescence methods for environmental characterization of soils , 1996 .

[11]  Grzegorz Siebielec,et al.  Near- and mid-infrared diffuse reflectance spectroscopy for measuring soil metal content. , 2004, Journal of environmental quality.

[12]  S. Chakraborty,et al.  Development of a hybrid proximal sensing method for rapid identification of petroleum contaminated soils. , 2015, The Science of the total environment.

[13]  Alain Dassargues,et al.  Conceptual model uncertainty in groundwater modeling: Combining generalized likelihood uncertainty estimation and Bayesian model averaging , 2008 .

[14]  C. Du,et al.  Evaluation of soil fertility using infrared spectroscopy: a review , 2009 .

[15]  Zhihao Qin,et al.  Possibilities of reflectance spectroscopy for the assessment of contaminant elements in suburban soils , 2005 .

[16]  Alex B. McBratney,et al.  Diagnostic Screening of Urban Soil Contaminants Using Diffuse Reflectance Spectroscopy , 2009 .

[17]  J. M. Soriano-Disla,et al.  The use of diffuse reflectance mid-infrared spectroscopy for the prediction of the concentration of chemical elements estimated by X-ray fluorescence in agricultural and grazing European soils , 2013 .

[18]  L. Janik,et al.  Can mid infrared diffuse reflectance analysis replace soil extractions , 1998 .

[19]  B. Minasny,et al.  Regression rules as a tool for predicting soil properties from infrared reflectance spectroscopy , 2008 .

[20]  J. M. Soriano-Disla,et al.  Prediction of the concentration of chemical elements extracted by aqua regia in agricultural and grazing European soils using diffuse reflectance mid-infrared spectroscopy , 2013 .

[21]  N. Hölzel,et al.  Fast and Inexpensive Detection of Total and Extractable Element Concentrations in Aquatic Sediments Using Near-Infrared Reflectance Spectroscopy (NIRS) , 2013, PloS one.

[22]  Geoff Holmes,et al.  Generating Rule Sets from Model Trees , 1999, Australian Joint Conference on Artificial Intelligence.

[23]  C. Micó,et al.  Assessing heavy metal sources in agricultural soils of an European Mediterranean area by multivariate analysis. , 2006, Chemosphere.

[24]  Budiman Minasny,et al.  Potential of integrated field spectroscopy and spatial analysis for enhanced assessment of soil contamination: A prospective review , 2015 .

[25]  Surrogate Correlations and Near-Infrared Diffuse Reflectance Sensing of Trace Metal Content in Soils , 2010 .

[26]  James B. Reeves,et al.  The potential of mid- and near-infrared diffuse reflectance spectroscopy for determining major- and trace-element concentrations in soils from a geochemical survey of North America. , 2009 .

[27]  S. Chakraborty,et al.  Lithologic Discontinuity Assessment in Soils via Portable X-ray Fluorescence Spectrometry and Visible Near-Infrared Diffuse Reflectance Spectroscopy , 2015 .

[28]  Dennis J. Kalnickya,et al.  Field portable XRF analysis of environmental samples , 2001 .

[29]  J. Ross Quinlan,et al.  Combining Instance-Based and Model-Based Learning , 1993, ICML.

[30]  Somsubhra Chakraborty,et al.  Use of portable X-ray fluorescence spectrometry for environmental quality assessment of peri-urban agriculture , 2011, Environmental Monitoring and Assessment.

[31]  Dandan Wang,et al.  Synthesized use of VisNIR DRS and PXRF for soil characterization: Total carbon and total nitrogen☆ , 2015 .

[32]  Bin Li,et al.  Combination of proximal and remote sensing methods for rapid soil salinity quantification , 2015 .

[33]  A. Gałuszka A review of geochemical background concepts and an example using data from Poland , 2007 .

[34]  Peng Gong,et al.  A mechanism study of reflectance spectroscopy for investigating heavy metals in soils , 2007 .

[35]  Budiman Minasny,et al.  Using model averaging to combine soil property rasters from legacy soil maps and from point data , 2014 .

[36]  Suhas P. Wani,et al.  Dependency measures for assessing the covariation of spectrally active and inactive soil properties in diffuse reflectance spectroscopy , 2014 .

[37]  R. V. Rossel,et al.  Visible, near infrared, mid infrared or combined diffuse reflectance spectroscopy for simultaneous assessment of various soil properties , 2006 .