Scientific Research by Rommie Amaro
Led a collaboration of 50 scientists to model COVID viruses in aerosol droplets at a molecular level.
Involved the modeling of 1.3 billion atoms together.
Created a virus model that included water in the aerosol and various compounds found in human lungs.
Utilized the second-largest supercomputer in the world for calculations.
This Week in CHEM 152 (Week 5: February 10-14)
Lecture Schedule:
Monday: Discussion Section Lab on Lecture 14: Enthalpy and Thermodynamics of Ideal Gases.
Wednesday: Lecture 15 on the same topics.
Friday: Lecture 16 covering Hess's Law, Heats of Formation, Solubility, Heat, and Work.
Discussion Section:
Collaborative assignments during scheduled meetings on Tuesdays or Thursdays.
Lab Information:
Consult Lab Canvas page for assignments details.
TAs and Prof. Carroll are the primary contact for lab-related queries.
Readings Due:
Lecture 14: Sections 9.2, 9.3.
Lecture 15: No reading assigned.
Lecture 16: Sections 9.4, 9.5, 9.6.
Active Reading Assignments:
Due at 11:00 AM on the day before each lecture.
ALEKS Modules:
Module 5 due February 10 at 11:59 PM.
Module 6 due February 18 at 11:59 PM.
Topics in Today's Lecture
Section 9.2: Enthalpy
Section 9.3: Thermodynamics of Ideal Gases
Heating an ideal gas at constant volume.
Heating an ideal gas at constant pressure.
Heating a polyatomic gas.
Energy relationship and enthalpy of gases.
Learning Goals for Today's Lecture
Calculate:
ΔT, ΔH, ΔE, and Δ(PV) under varying conditions.
Understand and define thermodynamic pathways.
Define:
Isobaric (constant pressure), isochoric (constant volume), and isothermal (constant temperature).
Perform calculations relating to these conditions.
Last Class Recap
Key Terms:
Work (wsys)
Internal Energy (E)
Enthalpy (H)
Heat capacities at constant pressure (qP) and constant volume (qV).
Formulas:
( \Delta E = \frac{2}{5} nR \Delta T )
( \Delta H = \frac{2}{5} nR \Delta T )
Work done on/by system: ( w = -\Delta P \Delta V )
Example Problem: Constant Pressure
Scenario: Volume of 0.75 mol of neon gas reduced from 10.0 L to 5.0 L at 0.85 atm.
Questions:
Determine temperature change.
Calculate ΔH.
Determine ΔE.
Find work done on/by the system.
Findings:
Process is exothermic; temperature decreased,
ΔH = -1076 J,
ΔE = -645 J,
Work done (w) = +430 J.
Example Problem: Constant Volume
Scenario: Pressure of 0.75 mol of neon gas increases from 0.50 atm to 1.27 atm in a constant volume of 10.0 L.
Tasks to determine:
Temperature change.
Calculate ΔH.
Determine ΔE.
Find Δ(PV).
Calculating Temperature Change
Method: ( \Delta T = \frac{P_f - P_i}{nR} )
Values used:
P_f = 1.27 atm,
P_i = 0.50 atm,
Volume = 10.0 L,
Moles = 0.75 mol,
Result: ( \Delta T = +125 K ).
Calculating ΔH
Formula used:
( \Delta H = nC_P\Delta T )
Result: ( \Delta H = +1948 J ).
Calculating ΔE
Formula:
( \Delta E = nC_V\Delta T )
Result: ( \Delta E = +1169 J ).
Calculating Δ(PV)
Note: PV work is defined as PΔV.
Result: ( \Delta(PV) = +780 J ).
Summary of Results
Process is endothermic; temperature increased:
ΔT = +125 K,
ΔH = +1948 J,
ΔE = +1169 J,
Δ(PV) = +780 J.
Measuring ΔE and ΔH
Constant Volume:
No PV work created.
Energy added increases internal energy (E).
Constant Pressure:
All added heat increases Enthalpy (H).
Thermodynamic Pathway Exploration
Example: 2.00 mol of an ideal monatomic gas undergoes a change from State A to State B:
State A: ( P_A = 2.00 atm, V_A = 10.0 L )
State B: ( P_B = 1.00 atm, V_B = 30.0 L )
The calculations for heat, work, ΔE, and ΔH are structured around varying pathways.
Understanding Thermodynamic Paths
Thermodynamic path involves a sequence of manipulations to transition from initial to final states.
Constants for different pathways:
Isochoric: Constant Volume
Isobaric: Constant Pressure
Isothermal: Constant Temperature
Choosing a Pathway
Goal: Transition from A to B.
Path 1: Expansion (A to C) followed by cooling (C to B).
Path 2: Cooling (A to D) followed by expansion (D to B).
Pathway 1, Step AC
Isobaric expansion from 10.0 L to 30.0 L at a steady 2.00 atm pressure.
Heat added calculated using the equation.
Result for heat added: ( q_{AC} = +10,130 J ).
Pathway 1: Work and ΔE
Work performed during expansion calculated and compared to ΔE.
Results:
Work done = -4052 J.
ΔE = +6078 J.
Pathway 1, Step CB
Isochoric decrease in pressure from -
Heat removed leads to a temperature decrease.
Calculated values for heat removed and ΔE obtained.
Consistency Check on Enthalpy and Energy
No work performed under constant volume.
Results validate through expanded calculations yielding consistent ΔH and ΔE.
Summary of Pathway 1 Results
Total values obtained indicate cumulative changes through each step across properties.
Pathway 2, Step AD
Isochoric decrease in pressure:
Similar conditions as Path 1, Step CB.
Heat removed with calculated results for ΔE obtained.
Pathway 2, Step DB
Isobaric expansion from 10.0 L to 30.0 L as in Pathway 1.
The same processes and calculations for work and ΔE evaluated.
Pathway 2 Results:
Calculations reaffirm the endothermic nature of the pathway with consistent results.
Pathway 2 Overview
Breakdown of work done and ΔE as compared to Pathway 1.
Comparative Analysis: Pathways 1 and 2
Examined overall changes in temperature, heat, work, ΔE, and ΔH across both paths.
Key Takeaways
Energy and Enthalpy are state functions (path independent).
Work and heat are process functions (path dependent).
Readings for Next Lecture
Sections 9.4, 9.5, 9.6 on:
Calorimetry and calculations of ΔH and ΔE where PV work occurs.
Hess's Law and characteristics of enthalpy changes.