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Questions tagged [physical-chemistry]

The study of chemical systems using the laws and concepts of physics. This usually requires the techniques of thermodynamics, statistical mechanics and quantum mechanics.

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2answers
120 views

Is “density per unit volume” something?

I was reading articles on the preparation of shellac-based composites when I encountered the following statement (in ref. 1): Wood flour and fibres are interesting because of their low cost, good ...
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1answer
214 views

What “physical method” does Feynman refer to in The Feynman Lectures on Physics (Vol 1)

In the introductory chapter, Atoms in Motion, of the Feynman Lectures on Physics (Volume One), Feynman alludes to a certain "physical method", which can be used to determine the structure of α-iron (...
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1answer
50 views

Can someone walk me through this gas mixture question?

Argon $(\ce{Ar})$ and helium $(\ce{He})$ are initially in separate compartments of a container at $\pu{25 °C}.$ The $\ce{Ar}$ in compartment A which has a volume $V_\ce{A}$ of $\pu{9.00 L}$ and a ...
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1answer
33 views

Isothermal vs adiabatic compression of an ideal gas [closed]

Could someone please explain these specific questions physically (especially the first question!)? I understand the corresponding mathematical proofs, but not the physical reasoning? I have looked ...
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1answer
24 views

When to use chromatographic separation vs vacuum-assisted rectification distillation?

I'm trying to understand a bit more about industrial scale separation processes. One particular element I'm interested in is the question as to when chromatography (HPLC or Simulated Moving Bed) may ...
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3answers
3k views

How to explain the discrepancy between the calculated absorption wavelength within the particle in the box theory and the observed wavelength?

The experimental observed wavelength for this molecule is 425 nm. We are supposed to estimate this wavelength theoretically using this equation (energy change in a 1D box), where $N$ is the number of ...
2
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1answer
94 views

Mathematical justification for Le Chatelier's principle

At equilibrium $$ \begin{align} K &= \exp\left(\cfrac{TΔS^\circ - ΔH^\circ}{RT}\right)\\ ⇒ \frac{\mathrm d \ln K}{\mathrm dT} &= \frac{ΔH^\circ}{RT^2} \end{align} $$ If enthalpy change is ...
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2answers
196 views

Find the pH of an amphiprotic salt dissolved in water at room temperature

Let's say I have a polyprotic acid $\ce{H2A}$ with the following properties: $$ \begin{align} \ce{H2A &<=> HA- + H+} & K_1 &= 1\cdot 10^{-1}\\ \ce{HA- &<=> A^2-+ H+} & ...
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1answer
78 views

Shortcut method to find atomic term symbols ignoring the spin orbit coupling

Is there any shortcut method by which we can find the atomic term symbols ignoring the spin-orbit coupling, i.e. ignoring the values of J. For instance, when writing the d-d transitions for any ...
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0answers
26 views

Does UV and Visible Light affects the Core electron, Valence electron, or Both?

When exposed in UV or Visible Light radiation, matter is induced to perform electronic excitation. Is the electron that excites, a core electron, a valence electron or can they both be excited? ...
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0answers
26 views

Properties that probe electron kinetic energy

This post is inspired by a question regarding the meaning of off-diagonal elements of the KE matrix (in some AO basis). One answer suggests that a diagonalized KE matrix might not be very useful. I ...
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3answers
16k views

How to calculate the height of an hcp lattice?

A hexagonal closed packing (hcp) unit cell has an ABAB type of packing. For calculating the packing fraction we require the volume of the unit cell. Volume of hcp lattice = (Base area) $\cdot$ (...
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0answers
36 views

Water replacement for pressure-testing [closed]

Due to circumstance, our Data Centre build has some delays and it currently looks like we're going to have to perform a hydrostatic test of our sprinkler system with live computers in it. As I have ...
0
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1answer
55 views

Calculation of VOCs concentration (ppm) in the headspace of a bottle

What is the right way to calculate the concentration of volatile compounds in the air in a closed container? Suppose we have a $\pu{50 mL}$ bottle with $\pu{25 mL}$ of $100\%$ ethanol $(\ce{EtOH})$ ...
2
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1answer
253 views

Acetone Enthalpy & Observations

I was looking at the enthalpy of various liquids using WolframAlpha and noticed that at 30 °C, while water and ethanol have a positive enthalpy, acetone has a negative enthalpy. If I'm understanding ...
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0answers
31 views

Numerical analysis of Hydrogen bond between F- and CH3COOH

The hydrogen bond between $\mathrm{F^{-}}$ and $\mathrm{CH_{3}COOH}$ is very strong and is strength may be analysed by setting up a Born Haber cycle, with the following data (in $kJ/mol$): Lattice ...
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1answer
210 views

Is the following rate law possible for the given reaction?

A researcher is investigating the following overall reaction: $$\ce{2C + D -> E}$$ The researcher claims the rate law for the reaction is written as follows: $\text{Rate} = k[\ce{C}][\ce{...
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1answer
60 views

How is the ln k term in the linearised Arrhenius equation acceptable?

In my syllabus we only study about rate laws under the topic "Rates of reactions", but as I was interested in it, I started to search about that topic. And then I found the Arrhenius equation $$\ln k ...
2
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1answer
38 views

why does adding a non volatile solute not decrease the boiling point?

If I add a solute that decreases the bond strength of the pure solvent then wouldn't the solvent molecules evaporate more easily as it has lesser force holding it down now?But in my textbook, it's ...
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1answer
51 views

What element has good conductivity but is also brittle? [closed]

I'm confused by what element(s) can be identified to have these properties. The following is text from my 2019-2020 Kaplan MCAT General Chemistry book under the metalloids section Silicon (Si) has ...
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2answers
49 views

Why is vapour pressure not dependent on shape and size of the container?

In my textbook, it's written that vapour pressure of a liquid does not depend on shape and size of a container but won't a container that provides less surface area to the liquid will have lower ...
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1answer
57 views

How to find the Cp, difference of Cp and heat of fusion from the dependence of vapor pressure on temperature?

The vapor pressure of zinc varies with temperature as $$\log P(\pu{mm Hg}) = -6850/T - 0.755\log T + 11.24 \label{eqn:1}\tag{1}$$ and that of liquid zinc as $$\log P(\pu{mm Hg}) = -6620/...
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0answers
58 views

How to I find the equilibrium temperature in this problem?

From Castellan's Physical Chemistry, chapter 12 [1, p. 276]: 12.18 At $\pu{25 °C}$ we have for rhombic sulfur: $ΔG_\mathrm{f}^\circ = 0,$ $ΔS^\circ = \pu{31.88 ± 0.17 J K-1 mol-1};$ and for ...
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1answer
146 views

Does CO2 form carbonic acid in the atmosphere?

Since when $\ce{CO2}$ goes into water it makes carbonic acid, then what happens when it rains? Some of the $\ce{CO2}$ in the air joins the rain drop as it falls and while the rain drop falls and ...
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6answers
982 views

Why are equations of state for a non-ideal gas so elusive?

The ideal gas equation (daresay "law") is a fascinating combination of the work of dozens of scientists over a long period of time. I encountered Van der Waals interpretation for non-ideal gases ...
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1answer
54 views

Using molecular orbital for determining leaving group trend and nucleophilicity

Here is the question. Which one has better leaving group, cyclohexanol or cyclohexane that has $\ce{OH_{2}^{+}}$ substituent? Explain. I know the answer is the latter because if both compounds are ...
2
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2answers
336 views

Given this liquid-liquid phase diagram, is the green line the nitrobenzene-rich phase?

The temperature-composition diagram for hexane and nitrobenzene at 1atm. The region below the curve corresponds to the compositions and temperatures at which the liquids form two phases. The upper ...
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1answer
60 views

What is the phase transformation temperature anatase to rutile phase in tin dioxide(SnO2)?

Usually people discuss only pressure dependent phase transformations in case of either tin dioxide or titanium dioxide. It would be nice if someone gave the phase diagram for tin dioxide.
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1answer
96 views

Maximum number of atoms in the ground state

I was given the following question. A sample contains $100$ identical and hypothetical $H$-like atoms ( $Z$ may be fractional). Out of the given atoms, some are in the ground state, while others ...
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3answers
2k views

Is it possible to have negative bond orders?

In the MO theory, is it possible to have a molecule with bond order less than 0? The least bond order I have come across as of now is 0 (for di-atomic noble gases), indicating that the molecule cannot ...
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2answers
3k views

Why are wave functions orthogonal?

It seems that all wave functions studied in physical chemistry are orthogonal (e.g. particle in a box, hydrogen atomic orbitals). Does this come about because we purposefully make them orthogonal, or ...
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1answer
26 views

Separate less volatile component from distilling a mixture [closed]

Is it a strict rule that when we boil a mixture of two liquids, with one being less volatile than the other, the more volatile vapour has to form the greater portion of the total vapours? If it is so,...
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0answers
34 views

What does “orthorhombic” actually mean?

I'm trying to understand what it means for a molecule to have orthorhombic symmetry. According to Di Lauro's "Rotational Structure in Molecular Infrared Spectra," a molecule is orthorhombic if the ...
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3answers
48 views

Why does a NOx container get cold when NOx is released? and What is the relationship of the vapor pressure curve with the liquid-vapor dome?

The temperature at which $\ce{NO_x}$ is in equilibrium with its liquid and vapor phase at 1 atm is about –84 °C. Does that mean $\ce{NO_x}$ exists as a liquid at that temperature? What about it's ...
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2answers
195 views

Solid state and Bragg's Equation

A frst order reflection from (111) plane is observed for LiX with 2theta =24.6 degree (X-ray of wavelength 1.54 angstrom). Assuming LiX to be a cubic crystal system, calculate the length of the side ...
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0answers
31 views

Psi4 gradient calculation with complete basis set? [closed]

I'm trying to set up a gradient calculation for psi4. In my input.dat file, I have tried the following keywords: set basis cc-pVTZ gradient('CCSD(T)') which is ...
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0answers
32 views

Obtaining conformational energy from Newman projections in first place

In this source, the conformational energy from Newman projections is obtained. Is there a formula or quantum chemistry approach to obtain the values in first place (pretend that I don't know the ...
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1answer
52 views

Why are the phase diagrams showing $G_s$ and $G_l$ situated so close on one end and then widens up at the other extremes? [closed]

With reference to the phase diagrams drawn in b and d why are the Gibbs phase lines coming closer from being so further apart?
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1answer
102 views

What is the biggest known difference between rₑ and r₀?

What is the biggest known difference between $r_e$ and $r_0$? Where $r_0$ is the average bond length of the lowest vibrational state, and $r_e$ is the location where the potential is lowest. For a ...
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1answer
2k views

Calculation of Atomic weight percentage in AAS

I am currently doing doping studies in a system similar to this ($\ce{A_{x}B_{1-x}}$) and I have to find atomic weight percentage of $\ce{B}$ element using atomic absorption spectroscopy(AAS). I have ...
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1answer
37 views

Equivalent mass in case of disproportionation reaction

I came across a question where the equivalent mass of hypophosphorus acid is to be found in the given reaction: $$\ce{2H3\overset{+1}{P}O2 -> H3\overset{+5}{P}O4 + \overset{-3}{P}H3}$$ If $M$ is ...
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0answers
42 views

What is the degree of freedom of the calcium carbonate dissociation reaction?

Question $\ce{CaCO3}$ dissociated in a closed system according to the reaction: $$\ce{CaCO3(s) -> CaO(s) + CO2(g)}$$ Assuming the reaction is in thermodynamic equilibrium, what is/are ...
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0answers
34 views

Bond Dissociation Energy in Water [duplicate]

Why do the bond dissociation energies of the O−H bonds in water differ? Is it related to an increase in lone pair-bond pair repulsions upon the breaking of the first O−H bond (decrease in stability, ...
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0answers
37 views

Number of states of phase space of a particle under Heisenberg certainty

In classical mechanics, the state of a motion can be determined by its position r and momentum p. One-dimensional motion of a particle that can be described by a trajectory in the plane that has $x$ ...
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1answer
26 views

Collision that governs kinetic model of gas [closed]

From Atkins' Physical Chemistry 10th, it states that The kinetic model is based on three assumptions: The gas consists of molecules of mass $m$ in ceaseless random motion obeying the laws ...
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2answers
105 views

Dipole moment of water using the definition [closed]

In many Chemistry books, the dipole moment of molecules is calculated through algebraic formulas. However, another definition of the dipole moment is $$\vec{\mu} = \sum_i q_i \, \vec{r}_i$$ So, how ...
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3answers
145 views

What are the effects of radio waves on matter?

Different regions of the electromagnetic spectrum interact differently with matter: Microwave radiation can induce molecular rotation. Infrared radiation can induce molecular vibration. Visible and ...
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0answers
32 views

Why is the iron inter-system crossing non-negligible at high temperatures?

Inter-system crossing (ISC) is a radiationless process involving forbidden transitions between singlet and triplet state. These are more common with heavy atom molecules, so I understand that ISC is ...
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1answer
27 views

What is the the total heat extracted in the process? [closed]

Since this is a cyclic process:- Change in internal energy=0. In the process C-A the work done W is zero, thus the heat Q is zero since it is an isochoric process. Next in the process A-B, I got the ...
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3answers
19k views

Relation between constant-pressure and constant-volume heat capacities: Cp - Cv = nR

For an ideal gas, we have $$C_p - C_V = nR$$ where $C_p$ is heat capacity at constant pressure, $C_V$ is heat capacity at constant volume, $n$ is amount of substance, and $R=N_\mathrm A\cdot k_\...