Array ( [reaction] => 1 ) 












  
 
    

        
 
          

              

                
 
                  


                            - properties 
                      of a species or chemical reaction  
                            

                            Download Reaction-Web Slide Show

                

              

              

            

           
            

               
              
              
              
              
              
              
              
              
              
              
              
               
              

                
 
                   
 
                      

					  

                        Units
                        

                          
 
                              
                             
                              
                              
                             
                              
                              
                            
                              
                              
                            
                              
                              
                          

                        

                        

                      

                      

                        
 
						

                        Reactants
                        

                          
                          = 
                          
                          

                        

                        

                          
                            
 
                               
                              
Amount

                              
Species

                              
Phase

                              
T

                              
P

                              
Activity

                            

                            
 
                               
                                
                              
                                
                              
                                
                              
 
                                  
                                

                              
 
                                  
                                

                              
 
                                  
                                

                            

                                                        
 
                               
                               
                               
                               
                               
                               
                               
                            

                                                      
                        

                        

                        


                           
                          

                            

                              
                                Non standard states
                              
 
                                  
                                  

                            

                          

                            

                      

                    

                

              

              

              

              

                Chemical formulas are 
                listed in Compound-Web.

                 
              

              

                     
                   
                
                 
                

                

              

            

            

              
 
                

                  

                     

                        
 
                          Examples:
                          
 

                        

                         
 
                          
Cu

                                [most stable] 
                            

                          
                        

                        
 
                                                       
                          
- 
                              Properties 
                              of a species.

                        

                        
 
                           4 Cu + 1 O2 = 2 Cu2O

                            [default phases]		
                          
                        

                        
 
                           
                          - 
                            Example of a simple isothermal standard reaction - oxidation of Cu 
                        

                        
 
                          

                            

                              

                                  4 Cu 
                              

                              

                                   + 
                              

                              

                                  1 O2
                              

                              

                                   = 
                              

                              

                                   2 Cu2O 
                              

                              

                            

                              [solid]
                               
                              [gas]
                               
                              [solid]
                              

                          
                          		
                          
                        

                        
 
                                                       
                          
- 
                          Equilibrium involving species which are not in their standard states - equilibrium constant Keq.

                        

                         
 
                           Al = Al

                            [default phases]		
                          
                        

                        
 
                           
                          - 
                            Enthalpy changes - heating Al from 300 K to the temperature T.
                        

                        

                          

                              

                                

                                    Cu 
                                

                                

                                     = 
                                

                                

                                    Cu 
                                                                

                              

                              

                                [solid]
                                 
                                [liquid]
                              

                          

                          
                        

                        

                            
                          
- Computation of Cu-liquidus in an ideal binary solution

                        

                        

                          

                            

                              

                                  1 CH4 
                                                                                          

                              

                                   + 
                              

                              

                                  2 O2
                                                            

                              

                                   = 
                              

                              

                                  2 H2O 
                                                            

                               

                                   + 
                              

                               

                                  1 CO2 
                                                            
                          
                            

                            

                              
[gas]

                               
                              [gas]
                               
                              [gas stream]
                               
                              
[gas]

                            

                          

                          
                        

                        

                           
                          - 
                            Adiabatic reaction - combustion of CH4
                        

                        

                          

                            

                              

                                  Cu[++]
                                                                                          

                              

                                   + 
                              

                              

                                  H2
                                                            

                              

                                   = 
                              

                              

                                  Cu
                              

                              

                                   + 
                              

                              

                                  2 H[+] 
                                                            

                            

                            

                              
[aqueous]

                               
                              [gas]
                               
                              [solid]
                               
                              
[aqueous]

                            

                          

                          
                        

                        

                            
                          
- Hydrogen reduction of aqueous Cu ion

                        

                        

                          

                              

                                

                                    C 
                                

                                

                                     = 
                                

                                

                                    C
                                

                              

                              

                                [graphite]
                                 
                                [diamond]
                              

                          

                          
                        

                        

                            
                          
- Effect of pressure on the graphite to diamond transition

                        

                    

                  

                

              

            

            
 

              
Reaction-WebPlus calculates changes in extensive thermochemical functions (H, G, V, S, Cp, A)  for a species, a group of species, or a chemical reaction. Reactions may  non-isothermal and the reactants may be in non-standard states.  Data are automatically retrieved from FactPS  - the  pure substances database.  For details and worked examples download the Reaction-WebPlus Slide Show.

                In the Reaction module of the       package, data may also be retrieved from private and other  databases. Spreadsheets can be generated and figures plotted that then may be  exported into other applications such as Excel. For more on        visit www.factsage.com. 

              

            		
        

        
 
          
        

      

  



















FactSage:



To cite FactSage in a publication, please use the following:


C. W. Bale, E. Bélisle, P. Chartrand, S. A. Decterov, G. Eriksson, A.E. Gheribi, K. Hack, I. H. Jung, Y. B. Kang, J. Melançon, A. D. Pelton, S. Petersen, C. Robelin. J. Sangster and M-A. Van Ende, FactSage Thermochemical  Software and Databases, 2010-2016, Calphad, vol. 54, pp 35-53,  2016 <www.factsage.com>



 Fact-Web:



If you employ the  results of Fact-Web calculations in a publication make sure that you are  aware of the limitations of the calculation.   This is particularly important in Equilib-Web which does  not have access to real solution data. 



To cite Fact-Web or one of its modules in a publication please use the following reference: 


C. W. Bale and E. Bélisle, Fact-Web suite of interactive programs, www.factsage.com