Effective Carbon Number Concept Research Articles

Extended effective carbon number concept in the quantitative analysis of multi-ethers using predicted response factors

Flame ionized detector has been such widely applied in chemical analysis since its great invention and the discovery of chem-ionization. Thanks to the excellent contribution of Sternberg and the successors in this field, effective carbon number concept (ECN) can make the analysis calibration greatly simplified especially when authentic standard substances are unavailable or in the complicated case such as petrochemical industry and biomass processing. To supplement the ECN rule in multi-ethers, this work determined relative response factors of poly(oxymethylene) dimethyl ethers experimentally, and developed a probabilistic P1-P2 effective carbon number model (P-ECN) for multi-ethers compounds. showed this method could improve the precision of quantitative analysis for poly(oxymethylene) dimethyl ethers and could predict relative response factors of other ethers with similar structure to a degree. LOD for each DMMn monomer ranged between 0.4-0.7 ng, and MDL ranged between 2 and 4 ug/mL. In the practical quantitation of diluted samples at level of 10 ug/mL, the relative standard deviation was less than 5%. Practical ethers-fuel blend with complex composition also was quantified with errors less than 3%.

Method to predict gas chromatographic response factors for the trace‐level analysis of volatile organic compounds based on the effective carbon number concept

A procedure has been developed to estimate GC-MS response factors based on the theory of effective carbon number defined as the sum of the carbon number and carbon number equivalent for each selected molecular descriptor (multiplied by its number of occurrences) in each compound's molecular structure. As a means to validate the effective carbon number procedure for GC-MS analysis, a test suite of 19 volatile organic compounds was analyzed by the sorbent-tube thermal desorption method. In the effective carbon number procedure, the carbon number equivalent for each descriptor was determined to yield the optimal linear plots between response factor versus the effective carbon number with the maximum R(2) (>0.975) and the minimum mean absolute error (<5%). Effective carbon number analysis is validated as a potent approach to estimate response factor values for most compounds amenable to the sorbent-tube thermal desorption GC-MS method. Overall, it is concluded that the application of response factor versus effective carbon number relationship can produce fairly reliable prediction with reduced errors relative to other comparable procedures such as the response factor versus the carbon number approach.

Quantification of biogenic volatile organic compounds with a flame ionization detector using the effective carbon number concept

Abstract. Biogenic volatile organic compounds (BVOCs) are emitted into the atmosphere by plants and include isoprene, monoterpenes, sesquiterpenes, and their oxygenated derivatives. These BVOCs are among the principal factors influencing the oxidative capacity of the atmosphere in forested regions. BVOC emission rates are often measured by collecting samples onto adsorptive cartridges in the field and then transporting these samples to the laboratory for chromatographic analysis. One of the most commonly used detectors in chromatographic analysis is the flame ionization detector (FID). For quantitative analysis with an FID, relative response factors may be estimated using the effective carbon number (ECN) concept. The purpose of this study was to determine the ECN for a variety of terpenoid compounds to enable improved quantification of BVOC measurements. A dynamic dilution system was developed to make quantitative gas standards of VOCs with mixing ratios from 20–55 ppb. For each experiment using this system, one terpene standard was co-injected with an internal reference, n-octane, and analyzed via an automated cryofocusing system interfaced to a gas chromatograph flame ionization detector and mass spectrometer (GC/MS/FID). The ECNs of 16 compounds (14 BVOCs) were evaluated with this approach, with each test compound analyzed at least three times. The difference between the actual carbon number and measured ECN ranged from −24% to −2%. The difference between theoretical ECN and measured ECN ranged from −22% to 9%. Measured ECN values were within 10% of theoretical ECN values for most terpenoid compounds.

Empirical Approach for Predicting Viscosities of Liquid Hydrocarbon Systems: Defined Compounds and Coal Liquids and Fractions

A single-parameter empirical method, based on the effective carbon number concept, was developed to predict the viscosities of defined (alkanes, alkenes, aromatics, alicyclics, and hydrocarbon mixtures) and undefined (coal liquids and coal liquid fractions) hydrocarbon liquids at various temperatures and for pressures up to 700 bar. The only parameter required for estimating the viscosities of a hydrocarbon system is the effective carbon number, which can be obtained from a single liquid viscosity datum of the compound using one of two proposed correlations, that is, n-alkane correlation or aromatic correlation. Also, experimental data on the viscosities of laboratory-generated coal liquid oils were generated and used in the evaluation of the model. The new method, when tested on viscosity data of defined and undefined hydrocarbon liquid compounds at various pressures and temperatures, yielded an overall average absolute deviation (AAD) of 4.11% and 9.99%, respectively. The model was also found to compare...

Measurements of biogenic VOC emissions: sampling, analysis and calibration

We describe an experimental system and techniques for sampling and analyzing biogenic emissions of volatile organic compounds (VOC). The system uses a Teflon chamber to enclose a single branch of a tree. Temperature, photosynthetic active radiation (PAR), relative humidity and carbon dioxide concentration are continuously monitored with a time resolution of five minutes. VOCs are sampled on tubes containing solid adsorbents (Tenax TA and Carbotrap) with a time resolution of 1 h. Composition and concentration of VOC emissions are measured with a gas chromatographic system equipped with a flame ionization detector (FID) for quantitative and a mass spectrometer (MS) for qualitative analysis. To calibrate the system, a diffusion source was built to produce standard mixtures of up to 36 different compounds with mixing ratios at low concentrations and high accuracy. The diffusion rates were monitored over 17 months and showed variations between 0.2 and 7.6% for monoterpenes (expect for α-phellandrene, α-terpinene and γ-terpinene) and between 10.6 and 22.6% for sesquiterpenes. FID response factors calculated from calibration measurements were corrected using correction factors based on the effective carbon number concept. The individual response factors of 23 compounds were combined to a mean response factor (RF m) with a value of 23,100 μV s ng −1 and a standard deviation of 9%. The system described here was used to measure VOC emission rates of Scots pine ( Pinus sylvestris) in 1998 and 1999.

A contribution to the improvement of accuracy in the quantitation of THC

The accuracy of a quantitative analysis is highly dependent on the quality of the reference standard. Although reference standards are more and more supplied with a certificate, laboratories may feel the need for additional acceptance testing. In general, confirmation of the purity of many solid reference substances can be obtained by a number of simple tests. However, verification of the true content of reference solutions may be complicated. A number of problems with the THC quantitation caused our interest for a verification method for the THC reference solution.The quantitation of THC is performed by gas chromatography with flame ionisation detector. The effective carbon number concept was used to predict GC/FID response factors. Equations and data are presented to calculate theoretical response ratios of cannabinoids. The experimental data for CBD and CBN were in excellent agreement with the theoretical ones. The paper shows that the response factors of CBD and/or CBN can be used for the calculation of the THC content of either reference solutions or cannabis samples.

Flame Ionization Detector Response Factors Using the Effective Carbon Number Concept in the Quantitative Analysis of Esters

Flame Ionization Detector Response Factors Using the Effective Carbon Number Concept in the Quantitative Analysis of Esters