How to calculate the gas enthelpy in a particular pressure and temperatur?

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Discussion Overview

The discussion revolves around calculating the enthalpy of carbon dioxide (CO2) at a specific pressure (200 psig) and temperature (80°F). Participants explore the theoretical background and calculation steps involved in determining enthalpy, referencing both software tools and textbook methods.

Discussion Character

  • Technical explanation
  • Mathematical reasoning
  • Exploratory

Main Points Raised

  • One participant requests assistance in calculating the enthalpy of CO2 at given conditions and expresses interest in the calculation steps.
  • Another participant suggests identifying the reference state for zero enthalpy used by the software before proceeding with calculations.
  • A different participant mentions that enthalpy is typically defined as zero for elements at standard temperature and pressure, providing a common reference point.
  • Integration of the equation for enthalpy change is proposed, specifically the equation involving heat capacity and pressure dependence.
  • One participant notes that software can provide enthalpy values directly without manual integration, emphasizing the importance of knowing the reference state used by the software.
  • Another participant expresses curiosity about the integration steps, particularly the pressure-dependent term in the enthalpy equation, and shares a detailed derivation of the enthalpy change.

Areas of Agreement / Disagreement

Participants generally agree on the importance of understanding the reference state for enthalpy calculations and the theoretical basis for the integration involved. However, there is no consensus on the necessity of manual calculations versus using software, and the discussion includes varying levels of understanding regarding the integration process.

Contextual Notes

Some participants reference standard conditions for enthalpy, but there is no explicit agreement on the specific reference state used by the software mentioned. The discussion includes complex mathematical derivations that may depend on specific assumptions not fully articulated by all participants.

dingweiyang
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Hi All,

Is there anybody who can help me with this question?

Example:
What is the enthalpy of CO2 in 200psig and 80deg.F?

I have a software, but I'd like to see the calculation steps.

Thanks
Ding
 
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The first thing you need to do is find out what the temperature and pressure are for the reference state of zero enthalpy (that the software uses).
 
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Chestermiller said:
The first thing you need to do is find out what the temperature and pressure are for the reference state of zero enthalpy (that the software uses).

Thank you, could you please educate me more?
 
Yes, but you could also take a textbook (e.g. Atkins, physical chemistry) and find out how enthalpy is determined. You would find the enthalpy is usually defined zero for elements at a standard T and p (most of the time ##10^5## Pa and ##25\ ^\circ##C). CO2 has a standard enthalpy of formation under those conditions and a next step is to go to your 80 ##^\circ##F and 200 psig by integrating ##dH = c_p \,dT +\displaystyle \left ( \displaystyle \partial H\over \partial p \right )_T \, dp##
 
BvU said:
Yes, but you could also take a textbook (e.g. Atkins, physical chemistry) and find out how enthalpy is determined. You would find the enthalpy is usually defined zero for elements at a standard T and p (most of the time ##10^5## Pa and ##25\ ^\circ##C). CO2 has a standard enthalpy of formation under those conditions and a next step is to go to your 80 ##^\circ##F and 200 psig by integrating ##dH = c_p \,dT +\displaystyle \left ( \displaystyle \partial H\over \partial p \right )_T \, dp##
Hi BvU.

If you are using package software, then there is no need to integrate anything. It just gives you the enthalpy value at the specified temperature and pressure (i.e., it has done the integration for you). But you must know the reference state used by the software.
 
Thanks Chet,

I was catering tot he OP's desire to see the calculation steps. Very commendable to try and understand what the program actually does !

At the risk of hijacking ding's thread: I can clearly see and imagine the ##\int c_p \, dT## part of the integral, but the ## \left ( \displaystyle \partial H\over \partial p \right )_T \, dp## part is much more elusive.
 
BvU said:
Thanks Chet,

I was catering tot he OP's desire to see the calculation steps. Very commendable to try and understand what the program actually does !

At the risk of hijacking ding's thread: I can clearly see and imagine the ##\int c_p \, dT## part of the integral, but the ## \left ( \displaystyle \partial H\over \partial p \right )_T \, dp## part is much more elusive.
Here are the steps:
$$dH=TdS+VdP$$
$$dS=\left(\frac{\partial S}{\partial T}\right)_PdT+\left(\frac{\partial S}{\partial P}\right)_TdP$$
$$dH=T\left(\frac{\partial S}{\partial T}\right)_PdT+\left[V+T\left(\frac{\partial S}{\partial P}\right)_T\right]dP=C_pdT+\left[V+T\left(\frac{\partial S}{\partial P}\right)_T\right]dP$$
$$dG=-SdT+VdP$$
So,
$$S=-\left(\frac{\partial G}{\partial T}\right)_P$$and$$V=\left(\frac{\partial G}{\partial P}\right)_T$$
So, $$\frac{\partial ^2 G}{\partial T\partial P}=-\left(\frac{\partial S}{\partial P}\right)_T=\left(\frac{\partial V}{\partial T}\right)_P$$
So, finally, $$dH=C_pdT+\left[V-T\left(\frac{\partial V}{\partial T}\right)_P\right]dP$$

This derivation is in most thermo books.
 
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