US2020340970A1PendingUtilityA1

Characterization of crude oil by fourier transform ion cyclotron resonance mass spectrometry

Assignee: SAUDI ARABIAN OIL COPriority: Jun 29, 2011Filed: Jun 25, 2020Published: Oct 29, 2020
Est. expiryJun 29, 2031(~4.9 yrs left)· nominal 20-yr term from priority
G16C 20/30G01N 33/2811H01J 49/38G01N 33/2829G01N 33/2823H01J 49/0036
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Claims

Abstract

A system and computer program product are provided for calculating one or more indicative properties, e.g., one or more of the cetane number, octane number, pour point, cloud point and aniline point of oil fractions, from the density and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) of a sample of an oil sample.

Claims

exact text as granted — not AI-modified
1 . A system for assigning an indicative property to a gas oil fraction or a gasoline fraction of an oil sample, wherein the oil sample is selected from the group consisting of crude oils, bitumens, heavy oils and shale oils, the system comprising:
 a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) that outputs FT-ICR MS data;   a non-volatile memory device that stores software program modules and data, the data including FT-ICR MS data indicative of intensities at corresponding double bond equivalents (DBE) derived from the oil sample;   a processor coupled to the memory device;   a first software program module, executed by the processor, that processes FT-ICR MS data derived by the Fourier transform ion cyclotron resonance mass spectrometer from the crude oil sample, wherein the processing includes the calculation of an FT-ICR MS index (FTMSI) as a summation of the intensity for a range of double bond equivalent (DBE); and   a second software program module that derives the indicative property of the gas oil fraction or the naphtha fraction as a function of the FTMSI and a density of the oil sample.   
     
     
         2 . The system as in  claim 1 , wherein the summation of the intensity for the range of DBE is according to the equation 
       
         
           
             
               
                 FTMSI 
                 = 
                 
                   
                     
                       ∑ 
                       max 
                     
                     
                       DBE 
                       = 
                       
                           
                       
                        
                       min 
                     
                   
                    
                   
                     
                       ( 
                       Intensity 
                       ) 
                     
                     / 
                     
                       ( 
                       
                         
                           1 
                            
                           E 
                         
                         + 
                         11 
                       
                       ) 
                     
                   
                 
               
               , 
             
           
         
       
       where intensity=the intensity for each DBE. 
     
     
         3 . The system as in  claim 1 , wherein the FT-ICR MS covers masses that are in the range 150-1400 m/z. 
     
     
         4 . The system as in  claim 1 , wherein the carbon numbers detected by FT-ICR MS are in the range 1-60. 
     
     
         5 . The system as in  claim 1 , wherein the double bond equivalents calculated by FT-ICR MS are in the range 1-40. 
     
     
         6 . The system as in  claim 1 , wherein the oil sample is crude oil. 
     
     
         7 . The system as in  claim 1 , wherein the indicative property is a cetane number. 
     
     
         8 . The system as in  claim 1 , wherein the indicative property is a pour point. 
     
     
         9 . The system as in  claim 1 , wherein the indicative property is a cloud point. 
     
     
         10 . The system as in  claim 1 , wherein the indicative property is an aniline point. 
     
     
         11 . The system as in  claim 1 , wherein the indicative property is an octane number. 
     
     
         12 . The system as in  claim 1 , wherein plural indicative properties are calculated including at least two indicative properties selected from the group consisting of cetane number, pour point, cloud point, aniline point and octane number. 
     
     
         13 . The system as in  claim 1 , wherein the indicative property is of a gas oil fraction boiling in the nominal range 180-370° C. 
     
     
         14 . The system as in  claim 1 , wherein the indicative property is of a gasoline fraction boiling in the nominal range 36-180° C. 
     
     
         15 . A computer program product to determine an indicative property of a gas oil fraction or a gasoline fraction of an oil sample, wherein the oil sample is selected from the group consisting of crude oils, bitumens, heavy oils and shale oils, comprising a non-transitory computer readable medium having computer readable program code embodied therein that, when executed by a processor, causes the processor to:
 accept the value of the density of the crude oil sample;   accept Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) data indicative of intensities at corresponding double bond equivalents (DBE) derived from the oil sample;   calculating and assigning a FT-ICR MS index value as a function of the FT-ICR MS intensity for each double bond equivalent (DBE); and   calculating and assigning the indicative property of the gas oil fraction or the naphtha fraction as a function of the FT-ICR MS index value and the density of the oil sample.   
     
     
         16 . The computer program product as in  claim 6 , wherein calculating and assigning a FT-ICR MS index value as a function of the FT-ICR MS intensity for each double bond equivalent (DBE) is according to the equation 
       
         
           
             
               
                 FTMSI 
                 = 
                 
                   
                     ∑ 
                     
                       DBE 
                       = 
                       
                           
                       
                        
                       min 
                     
                     max 
                   
                    
                   
                     
                       ( 
                       Intensity 
                       ) 
                     
                     / 
                     
                       ( 
                       
                         
                           1 
                            
                           E 
                         
                         + 
                         11 
                       
                       ) 
                     
                   
                 
               
               , 
             
           
         
       
       where intensity=the intensity for each DBE. 
     
     
         17 . The computer program product as in  claim 6 , wherein the FT-ICR MS covers masses that are in the range 150-1400 m/z. 
     
     
         18 . The computer program product as in  claim 6 , wherein the carbon numbers detected by FT-ICR MS are in the range 1-60. 
     
     
         19 . The computer program product as in  claim 6 , wherein the double bond equivalents calculated by FT-ICR MS are in the range 1-40.

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