diff options
| author | prashantsinalkar | 2020-04-14 10:19:27 +0530 |
|---|---|---|
| committer | prashantsinalkar | 2020-04-14 10:23:54 +0530 |
| commit | 476705d693c7122d34f9b049fa79b935405c9b49 (patch) | |
| tree | 2b1df110e24ff0174830d7f825f43ff1c134d1af /Thermodynamics_for_Chemists_by_S_Glasstone | |
| parent | abb52650288b08a680335531742a7126ad0fb846 (diff) | |
| download | all-scilab-tbc-books-ipynb-476705d693c7122d34f9b049fa79b935405c9b49.tar.gz all-scilab-tbc-books-ipynb-476705d693c7122d34f9b049fa79b935405c9b49.tar.bz2 all-scilab-tbc-books-ipynb-476705d693c7122d34f9b049fa79b935405c9b49.zip | |
Initial commit
Diffstat (limited to 'Thermodynamics_for_Chemists_by_S_Glasstone')
18 files changed, 3944 insertions, 0 deletions
diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/1-Heat_work_and_energy.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/1-Heat_work_and_energy.ipynb new file mode 100644 index 0000000..7cf1dd3 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/1-Heat_work_and_energy.ipynb @@ -0,0 +1,159 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 1: Heat work and energy" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 1.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"q= 26.45 //coloumbs\n", +"e= 2.432 //volts\n", +"//CALCULATIONS\n", +"Q1= q*e\n", +"Q2= Q1*1.0002*10^7\n", +"//RESULTS\n", +"printf ('Energy expenditure in joules = %.2f int.joules',Q1)\n", +"printf ('\n Energy expenditure in ergs = %.2e ergs',Q2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 1.2: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"I= 0.565 //amp\n", +"R= 15.43 //ohms\n", +"t= 185 //secs\n", +"Tr= 0.544 //C\n", +"//CALCULATIONS\n", +"Q1= I^2*R*t\n", +"Q2= I^2*R*t/Tr\n", +"//RESULTS\n", +"printf ('Heat capacity = %.f int.joules deg^-1',Q2)\n", +" " + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 1.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"I= 0.565 //amp\n", +"R= 15.43 //ohms\n", +"t= 185 //secs\n", +"Tr= 0.544 //C\n", +"//CALCULATIONS\n", +"Q1= I^2*R*t\n", +"Q2= I^2*R*t/(Tr*4.183)\n", +"//RESULTS\n", +"printf ('Heat capacity = %.1f calories',Q2)\n", +" " + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 1.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"v= 1 //lit\n", +"p= 1 //atm\n", +"h= 76 //cm\n", +"d= 13.595 //kg/cm^3\n", +"g= 980.66 //dunes cm^-2\n", +"j= 4.18 //joules\n", +"//CALCULATIONS\n", +"W= v*p\n", +"W1= h*d*g\n", +"W2= W1*10^-4\n", +"W3= W2/j\n", +"//RESULTS\n", +"printf ('Work done in lit-atm = %.f lit-atm',W)\n", +"printf ('\n Work done in dynes = %.2e dynes cm^-2',W1)\n", +"printf ('\n Work done in ergs = %.2e ergs',W2)\n", +"printf ('\n Work done in calories = %.2f calories',W3)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/11-Phase_Equilibria.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/11-Phase_Equilibria.ipynb new file mode 100644 index 0000000..4c7b180 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/11-Phase_Equilibria.ipynb @@ -0,0 +1,303 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 11: Phase Equilibria" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 0 //C\n", +"sv= 1.0001 //cc g^-1\n", +"sv1= 1.0907 //cc g^-1\n", +"R= 0.0242 //atm^-1 cc^-1 cal\n", +"p= 79.8 //atm\n", +"//CALCULATIONS\n", +"r= (273.2+T)*(sv-sv1)*R/p\n", +"//RESULTS\n", +"printf ('rate of change of melting point = %.4f deg atm^-1',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 95.5 //C\n", +"p= 1 //atm\n", +"v= 0.0126 //cc g^-1\n", +"a= 0.0242 //cal cc^-1 atm^-1\n", +"r= 0.035 //K atm^-1\n", +"//CALCULATIONS\n", +"dH= (273.2+T)*v*a/r\n", +"//RESULTS\n", +"printf ('Heat of transition = %.1f cal g^-1',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 100 //C\n", +"j= 0.0242 //cal cc^-1 atm6-1\n", +"k= 539 //cal g^-1\n", +"p= 1664 //cc g^-1\n", +"//CALCULATIONS\n", +"r= (273.2+T)*(p-1)*j/k\n", +"//RESULTS\n", +"printf ('Rise in temperature per unit of pressure= %.1f deg atm^-1',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T1= 100 //C\n", +"T2= 90 //C\n", +"p= 76 //cm of hg\n", +"H= 542*18.02 //cal mole^-1\n", +"//CALCULATIONS\n", +"p1= p/10^((H/4.576)*((T1-T2)/((273.2+T1)*(273.2+T2))))\n", +"//RESULTS\n", +"printf ('Final vapour pressure of water = %.1f cm',p1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 239.05 //K\n", +"r= 0.0242 //cal cc6-1 atm^-1\n", +"Vv= 269.1 //cc g^-1\n", +"Vl= 0.7 //cc g^-1\n", +"r1= 3.343 //cm of mercury deg6-1\n", +"p= 76 //cm\n", +"//CALCULATIONS\n", +"tbyp= r1/p\n", +"dH= T*(Vv-Vl)*tbyp*r\n", +"//RESULTS\n", +"printf ('heat of vapourisation of liquid chlorine = %.1f cal g^-1',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Ta= 441 //C\n", +"Tb= 882 //C\n", +"Tb1= 1218 //C\n", +"//CALCULATIONS\n", +"Ta1= (273+Tb1)*(Tb+273)/(273+Ta)\n", +"Tb= Ta1-273\n", +"//RESULTS\n", +"printf ('Normal boiling point of silver = %.f K',Ta1)\n", +"printf ('\n Normal boiling point of silver in degrees = %.f degrees',Tb)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 40 //C\n", +"T1= 80.1 //C\n", +"//CALCULATIONS\n", +"H= 2*(273.2+T1)\n", +"p= %e^(-(H/(4.576*(273.2+T)))+4.59)/3.07\n", +"//RESULTS\n", +"printf ('vapour pressure = %.1f cm',p)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.8: example_8.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p= 23.76 //mm\n", +"R= 0.082 //atm-lit deg^-1 mol^-1\n", +"T= 25 //C\n", +"vl= 18 //ml\n", +"p1= 1 //atm\n", +"//CALCULATIONS\n", +"dP= 0.001*vl*p*p1/(R*(273+T))\n", +"p2= p+dP\n", +"//RESULTS\n", +"printf ('vapour pressure = %.2f mm',p2)\n", +"\n", +"//ANSWER GIVEN IN THE TEXTBOOK IS WRONG" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 11.9: example_9.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 25 //C\n", +"R= 8.314*10^7 //ergs /mol K\n", +"st= 72 //dynes cm^-1\n", +"mv= 18 //cc mole^-1\n", +"r= 10^-5 //cm\n", +"p= 23.76 //cm\n", +"//CALCULATIONS\n", +"p1= p*10^(2*st*mv/(r*R*2.303*(273.2+T)))\n", +"//RESULTS\n", +"printf ('vapour pressure = %.2f mm',p1)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/12-Fugacity_and_Activity.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/12-Fugacity_and_Activity.ipynb new file mode 100644 index 0000000..9e81e7f --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/12-Fugacity_and_Activity.ipynb @@ -0,0 +1,146 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 12: Fugacity and Activity" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 12.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 50 //atm\n", +"p2= 100 //atm\n", +"p3= 200 //atm\n", +"p4= 400 //atm\n", +"p5= 800 //atm\n", +"p6= 1000 //atm\n", +"r1= 0.979\n", +"r2= 0.967\n", +"r3= 0.971\n", +"r4= 1.061\n", +"r5= 1.489\n", +"r6= 1.834\n", +"//CALCULATIONS\n", +"f1= r1*p1\n", +"f2= r2*p2\n", +"f3= r3*p3\n", +"f4= r4*p4\n", +"f5= r5*p5\n", +"f6= r6*p6\n", +"//RESULTS\n", +"printf ('fugacity of nitrogen gas = %.2f atm',f1)\n", +"printf ('\n fugacity of nitrogen gas = %.1f atm',f2)\n", +"printf ('\n fugacity of nitrogen gas = %.1f atm',f3)\n", +"printf ('\n fugacity of nitrogen gas = %.1f atm',f4)\n", +"printf ('\n fugacity of nitrogen gas = %.f atm',f5)\n", +"printf ('\n fugacity of nitrogen gas = %.f atm',f6)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 12.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 50 //atm\n", +"p2= 100 //atm\n", +"p3= 200 //atm\n", +"p4= 400 //atm\n", +"r1= 0.98\n", +"r2= 0.97\n", +"r3= 0.98\n", +"r4= 1.07\n", +"//CALCULATIONS\n", +"f1= p1*r1\n", +"f2= p2*r1\n", +"f3= p3*r3\n", +"f4= p4*r4\n", +"//RESULTS\n", +"printf ('fugacity of nitrogen gas = %.f atm',f1)\n", +"printf ('\n fugacity of nitrogen gas = %.f atm',f2)\n", +"printf ('\n fugacity of nitrogen gas = %.f atm',f3)\n", +"printf ('\n fugacity of nitrogen gas = %.f atm',f4)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 12.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p= 3.66 //atm\n", +"v= 6.01 //litre mole^-1\n", +"T= 0 //C\n", +"R= 0.082 //lit-atm mole^-1 K^-1\n", +"//CALCULATIONS\n", +"f= p^2*v/(R*(273+T))\n", +"//RESULTS\n", +"printf ('fugacity of liquid chlorine = %.2f atm',f)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/13-Free_Energy_and_Chemical_Reactions.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/13-Free_Energy_and_Chemical_Reactions.ipynb new file mode 100644 index 0000000..fcfd517 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/13-Free_Energy_and_Chemical_Reactions.ipynb @@ -0,0 +1,438 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 13: Free Energy and Chemical Reactions" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.10: example_10.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"F1= 24.423//cal deg^-1\n", +"F2= 21.031 //cal deg^-1\n", +"F3= 37.172 //cal deg^-1\n", +"H1= 2.024 //kcal\n", +"H2= 1.035 //kcal\n", +"H3= 2.365 //kcal\n", +"H= -57.8 //kcal\n", +"T= 25 //C\n", +"//CALCULATIONS\n", +"dF= F3-F1-F2\n", +"dH= H3-H1-H2\n", +"Hf= H-dH\n", +"F= Hf-((273.2+T)*dF*10^-3) \n", +"//RESULTS\n", +"printf ('Standard free energy = %.2f kcal',F)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.11: example_11.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 1000 //C\n", +"j= 1.5\n", +"Q= 35840 //cal\n", +"I= 743*10^-40 //g cm^2\n", +"w= 214 //cm^-2\n", +"Kf= 0.184\n", +"//RESULTS\n", +"printf ('Equilibrium constant = %.3f ',Kf)\n", +"\n", +"//NO SOLUTION IS GIVEN TO SOLVE Kf\n", +"//INCOMPLETE SOLUTION IN THE TEXTBOOK\n", +"" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.12: example_12.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"dH= 83 //cal\n", +"R= 1.98 //cal mole K^-1\n", +"T= 25 //C\n", +"M1= 128 //gms\n", +"M2= 4 //gms\n", +"M3= 2 //gms\n", +"M4= 129 //gms\n", +"I1= 4.31 //g cm^2\n", +"I2= 0.920 //g cm^2\n", +"I3= 0.459 //g cm^2\n", +"I4= 8.555 // g cm^2\n", +"//CALCULATIONS\n", +"K= 10^((-dH/(2.303*R*(273.2+T)))+1.5*log10(M1^2*M2/(M3*M4^2))+log10(I1^2*I2/(I3*I4^2)))\n", +"//RESULTS\n", +"printf ('Equilibrium constant = %.2f ',K)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 4.576 //cal deg^-1 mole^-1\n", +"T= 700 //C\n", +"Kp= 0.71\n", +"p1= 1.5 //atm\n", +"p2= 5 //atm\n", +"//CALCULATIONS\n", +"dF= -R*(273+T)*(log(Kp)-log((p1*p2)/(10*p2)))*0.77\n", +"//RESULTS\n", +"printf ('Free energy = %.f cal',dF-10)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k1= 4600\n", +"k2= -8.64\n", +"k3= 1.86*10^-3\n", +"k4= -0.12*10^-6\n", +"k5= 12.07\n", +"T= 600 //K\n", +"//CALCULATIONS\n", +"Kf= %e^(k1*(1/T)+k2*log10(T)+k3*T+k4*T^2+k5)\n", +"//RESULTS\n", +"printf ('Kf = %.3f ',Kf)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k= -8810 //cal\n", +"k1= -7.46 //cal K^-1\n", +"k2= 3.69*10^-3 //cal K^-2\n", +"k3= -0.47*10^-6 //cak K^-3\n", +"T= 298 //K\n", +"//CALCULAATIONS\n", +"dH= k+k1*T+k2*T^2+k3*T^3\n", +"//RESULTS\n", +"printf ('Standard heat of reaction = %.f cal',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k1= -9130 //cal\n", +"k2= 7.46 //cal K^-1\n", +"k3= -3.69*10^-3 //K^-2\n", +"k4= 0.235*10^-6 //K^-3\n", +"k5= -12.07\n", +"T= 298 //K\n", +"R= 1.987 //cal deg^-1 mole^-1\n", +"//CALCULATIONS\n", +"dF= k1+k2*T*log(T)+k3*T^2+k4*T^3+k5*R*T\n", +"//RESULTS\n", +"printf ('Free energy = %.f cal',dF)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 25 //C\n", +"dF1= 61.44 //kcal\n", +"dF= 54.65 //kcal\n", +"R= 4.576 //cal deg^-1 mole^-1\n", +"//CALCULATIONS\n", +"Kf= 10^(-(dF1-dF)*10^3/(R*(273.2+T)))\n", +"//RESULTS\n", +"printf ('Kf at this temperature = %.2e ',Kf)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 4.576 //cal mole^-1 K^-1\n", +"T= 25 //C\n", +"p1= 122 //mm\n", +"F1= -5.88 //kcal\n", +"F2= -33 //kcal\n", +"//CALCULATIONS\n", +"dF= R*(273.2+T)*log10(p1/760)\n", +"F= F2+F1+(dF/1000)\n", +"//RESULTS\n", +"printf ('Standard free energy change = %.f kcal',F)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"r= 3.38*10^-4 //volt deg^-1\n", +"F= 23070 //cal volt^-1 deg^-1\n", +"Sagcl= 23 //E.U.mole^-1\n", +"Shg= 18.5 //E.U.mole^-1\n", +"Sag= 10.2 //E.U.mole^-1\n", +"//CALCULATIONS\n", +"dS= F*r\n", +"shgcl= 2*-(dS-Sagcl-Shg+Sag)\n", +"//RESULTS\n", +"printf ('dS = %.1f E.U.cal deg^-1',dS)\n", +"printf ('\n molar entropy = %.f E.U.mole^-1',shgcl)\n", +"" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.8: example_8.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"s1= 44.5 //cal deg^-1 mole^-1\n", +"s2= 49 //cal deg^-1 mole^-1\n", +"s3= 51.06 //cal deg^-1 mole^-1\n", +"s4= 16.75 //cal deg^-1 mole^-1\n", +"h1= -17.9 //kcal mole^-1\n", +"h2= 0 //kcal mole^-1\n", +"h3= -94 //kcal mole^-1\n", +"h4= -68.3 //kcal mole^-1\n", +"T= 25 //C\n", +"n= 2\n", +"//CALCULATIONS\n", +"dS= s3+2*s4-s1-n*s2\n", +"dH= h3+n*h4-h1-n*h2\n", +"dF= -0.001*(273.2+T)*dS+dH\n", +"//RESULTS\n", +"printf ('Entropy Change = %.1f E.U',dS)\n", +"printf ('\n Enthalpy Change = %.1f E.U',dH)\n", +"printf ('\n Standard free energy = %.1f kcal',dF)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 13.9: example_9.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"a= -15.84 \n", +"b= 22.84*10^-3\n", +"c= -80.97*10^-7 \n", +"T= 25 //C\n", +"H1= -48.1 //kcal\n", +"H2= -26.4\n", +"dS= 53.09\n", +"T1= 327 //C\n", +"r1= 0.58\n", +"r2= 1.1\n", +"r3= 1.13\n", +"//CALCULATIONS\n", +"dH= (H1-H2)*1000-a*(273.2+T)-0.5*b*(273.2+T)^2-0.33*c*(273.2+T)^3\n", +"dF= (H1-H2)*1000+(273.2+T)*dS\n", +"I= (dF-dH+a*(273.2+T)*log(273.2+T)+0.5*b*(273.2+T)^2+0.166*c*(273.2+T)^3)/(273.2+T)\n", +"dF1= (dH-a*(273+T1)*log(273+T1)-0.5*b*(273+T1)^2-0.166*c*(273+T1)^3)+I*(273+T1)\n", +"Kf= 10^(-dF1/(4.576*(273+T1)))\n", +"Jr= r1/(r2^2*r3)\n", +"Kp= Kf/Jr\n", +"//RESULTS\n", +"printf ('heat of formation = %.f cal',dH)\n", +"printf ('\n Entropy = %.f cal',dF)\n", +"printf ('\n Inertia = %.f gm cm^2',I)\n", +"printf ('\n Entropy = %.f cal',dF1)\n", +"printf ('\n Kf = %.1e ',Kf)\n", +"printf ('\n Kp = %.1e ',Kp)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/14-The_Properties_of_Solution.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/14-The_Properties_of_Solution.ipynb new file mode 100644 index 0000000..a9a84cd --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/14-The_Properties_of_Solution.ipynb @@ -0,0 +1,189 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 14: The Properties of Solution" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 14.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"M2= 92 //gms\n", +"M1= 78 //gms\n", +"pb= 118.2 //mm\n", +"pt= 36.7 //mm\n", +"//CALCULATIONS\n", +"n1= M2/(M1+M2)\n", +"n2= 1-n1\n", +"p1= n1*pb\n", +"p2= n2*pt\n", +"w= p1*M1/(p2*M2)\n", +"//RESULTS\n", +"printf ('partial pressure of benzene = %.f mm',p1)\n", +"printf ('\n partial pressure of toulene = %.1f mm',p2)\n", +"printf ('\n weight proportions = %.2f ',w)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 14.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"vpe= 42 //atm\n", +"p2= 1 //atm\n", +"//CALCULATIONS\n", +"N2= p2/vpe\n", +"//RESULTS\n", +"printf ('Ideal solubility of ethane = %.3f mole fraction',N2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 14.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 25.7 //atm\n", +"p2= 11.84 //atm\n", +"T1= 173 //K\n", +"T2= 153 //K\n", +"T3= 25 //C\n", +"//CALCULATIONS\n", +"dH= log10(p1/p2)*4.579*T1*T2/(T1-T2)\n", +"p= p1*10^((dH/4.576)*(273+T3-T1)/((273+T3)*T1))\n", +"s= 1/p\n", +"//RESULTS\n", +"printf ('Heat of reaction = %.f cal mole^-1',dH)\n", +"printf ('\n pressure = %.f atm',p)\n", +"printf ('\n Solubility of methane = %.5f ',s)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 14.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T1= 20 //C\n", +"T2= 80 //C\n", +"H1= 4540 //cal mole^-1\n", +"//CALCULATIONS\n", +"n= 10^(H1*(-T2+T1)/(4.576*(273+T1)*(273+T2)))\n", +"//RESULTS\n", +"printf ('ideal solubility of napthalene = %.3f ',n)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 14.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.987 //cal mole^-1 K^-1\n", +"T= 278.6 //K\n", +"dH= 30.2 //cal g^-1\n", +"m= 6.054 //gms\n", +"a= 0.1263 //degrees\n", +"//CALCULATIONS\n", +"l= R*T^2/(1000*dH)\n", +"m1= a/l\n", +"M2= m/m1\n", +"//RESULTS\n", +"printf ('molal depression constant = %.2f ',l)\n", +"printf ('\n molality = %.4f ',m1)\n", +"printf ('\n molecular weight of solute = %.f gms',M2)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/15-Activities_and_Activity_coefficients.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/15-Activities_and_Activity_coefficients.ipynb new file mode 100644 index 0000000..c165a3f --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/15-Activities_and_Activity_coefficients.ipynb @@ -0,0 +1,211 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 15: Activities and Activity coefficients" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 17.222 //mm\n", +"p2= 17.535 //mm\n", +"n= 1 //mole\n", +"m= 1000 //gms\n", +"M= 18.016 //gms\n", +"//CALCULATIONS\n", +"a= p1/p2\n", +"N1= (m/M)/(n+(m/M))\n", +"//RESULTS\n", +"printf ('activity = %.4f ',a)\n", +"printf ('\n activity coefficient = %.4f ',N1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"M= 0.1 //molal\n", +"Tf= 0.345 //C\n", +"k= -9.702*10^-3\n", +"k1= -5.2*10^-6\n", +"//CALCULATIONS\n", +"a= %e^(k*Tf+k1*Tf^2)\n", +"//RESULTS\n", +"printf ('activity = %.4f ',a)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.98*10^-4 //cal mole^-1 deg^-1\n", +"T= 20 //C\n", +"E= -0.11118 //volt\n", +"n2= 0.00326\n", +"n21= 0.0986\n", +"//CALCULATIONS\n", +"r= 10^((-E/(R*(273.16+T)))-log10(n21)+log10(n2))+n21\n", +"a2= r*n21\n", +"//RESULTS\n", +"printf ('a2/N2 = %.3f ',r)\n", +"printf ('\n a2 = %.4f ',a2)\n", +"" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n1= 0.424 //mole fraction\n", +"a2= 3.268\n", +"n= 8.3\n", +"//CALCULATIONS\n", +"r= a2/(n*n1)\n", +"//RESULTS\n", +"printf ('a2/N2 = %.3f ',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"e= 0.7865 //volt\n", +"emf= 0.8085 //emf\n", +"T= 500 //C\n", +"R= 1.98*10^-4 //cal mol6-1 deg^-1\n", +"n2= 0.5937\n", +"//CALCULATIONS\n", +"a2= 10^((e-emf)/(R*(273+T)))\n", +"r= a2/n2\n", +"//RESULTS\n", +"printf ('activity coefficient = %.2f ',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 15.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"ac= 1.211\n", +"n2= 0.5937\n", +"//CALCULATIONS\n", +"b= log10(ac)/(1-n2)^2\n", +"//RESULTS\n", +"printf ('Constant = %.4f ',b)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/16-Solutions_of_Electrolytes.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/16-Solutions_of_Electrolytes.ipynb new file mode 100644 index 0000000..e4172ff --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/16-Solutions_of_Electrolytes.ipynb @@ -0,0 +1,127 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 16: Solutions of Electrolytes" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"v= 1\n", +"m= 0.5\n", +"//CALCULATIONS\n", +"m1 = 2*m\n", +"m2 = 1*m\n", +"v1 = 2*v\n", +"v2 = 1*v\n", +"M = (m1^2*m2)^(1/(v1+v2))\n", +"//RESULTS\n", +"printf ('mean ionic molality = %.1f ',m2)\n", +"printf ('\n mean ionic molality = %.3f ',M)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n= 2\n", +"m= 0.01422\n", +"m1= 0.00869\n", +"m2= 0.025\n", +"//CALCULATIONS\n", +"M = m2+m1\n", +"M1= (M*m1)^(1/n)\n", +"r= m/M1\n", +"//RESULTS\n", +"printf ('mean ionic molality = %.3f ',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 16.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"mu= 1\n", +"mb= 2\n", +"m= 1 \n", +"m1= 2\n", +"//CALCULATIONS\n", +"ym1= 0.5*(mu*m^2+mu*m^2)\n", +"ym2= 0.5*(mb*m^2+m*m1^2)\n", +"ym3= 0.5*(mu*m1^2+mu*m1^2)\n", +"//RESULTS\n", +"printf ('ionic strength of solution = %.f *m',ym1)\n", +"printf ('\n ionic strength of solution = %.f *m',ym2)\n", +"printf ('\n ionic strength of solution = %.f *m',ym3)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/17-The_Debye_Huckel_Theory.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/17-The_Debye_Huckel_Theory.ipynb new file mode 100644 index 0000000..6b9962e --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/17-The_Debye_Huckel_Theory.ipynb @@ -0,0 +1,84 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 17: The Debye Huckel Theory" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 17.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"s= 1.771*10^-4 //mole litre^-1\n", +"s1= 0.3252*10^-2 //mole litre^-1\n", +"//CALCULATIONS\n", +"S= s*10^(0.509*(sqrt(s+s1)-sqrt(s)))\n", +"//RESULTS\n", +"printf ('Solubility = %.2e mole litre^-1',S)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 17.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"a= 0.1\n", +"//CALCULATIONS\n", +"r= 10^(-0.509*sqrt(a)/(1+sqrt(a)))\n", +"//RESULTS\n", +"printf ('mean ionic acctivity coefficient = %.3f ',r)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/18-Partial_Molar_Properties.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/18-Partial_Molar_Properties.ipynb new file mode 100644 index 0000000..dd93d72 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/18-Partial_Molar_Properties.ipynb @@ -0,0 +1,260 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 18: Partial Molar Properties" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k1= 16.4 //ml mole^-1\n", +"k2= 2.5 //ml mole^-2\n", +"k3= -1.2 //ml mole^-3\n", +"m= 1 //molal\n", +"//CALCULATIONS\n", +"Ov= k1+k2*m+k3*m^2\n", +"//RESULTS\n", +"printf ('Apparent molar volume = %.1f ml mole^-1',Ov)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n= 1 //mole\n", +"n1= 400 //mole\n", +"T= 25 //C\n", +"H1= 5410 //cal\n", +"H2= -5020 //cal\n", +"//CALCULATIONS\n", +"dH= -(H1+H2)\n", +"//RESULTS\n", +"printf ('Heat required to remove the water = %.f cal',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n= 1 //mole\n", +"n1= 400 //mole\n", +"T= 25 //C\n", +"H1= 23540 //cal\n", +"H2= -5410 //cal\n", +"//CALCULATIONS\n", +"dH= -(H1+H2)\n", +"//RESULTS\n", +"printf ('Heat required to remove the water = %.f cal',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n1= 1 //mole\n", +"n2= 400 //mole\n", +"H1= 5638 //cal\n", +"H2= 23540 //cal\n", +"L= -1.54 //cal/mole\n", +"l1= -2.16 //cal/mole\n", +"l2= 5842 //cal/mole\n", +"//CALCULATIONS\n", +"Q1= n2*L+H1+H2\n", +"Q2= n2*l1+2*l2\n", +"Q= Q2-Q1\n", +"//RESULTS\n", +"printf ('Heat change = %.f cal',Q)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"L2= 6000 //cal\n", +"v= 3 \n", +"T= 25 //C\n", +"T1= 0 //C\n", +"//CALCULATIONS\n", +"R= ((L2/(v*4.576))*(T-T1)/((273+T1)*(273+T)))\n", +"r= 10^((L2/(v*4.576))*(T-T1)/((273+T1)*(273+T)))\n", +"//RESULTS\n", +"printf ('Ratio = %.3f ',R)\n", +"printf ('\n Relative change in mean ionic coefficient = %.2f ',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"L2= 4120 //cal\n", +"l= -108 //cal mole^-1\n", +"L21= -306 //cal mole^-1\n", +"n1= 55.5 //moles\n", +"n2= 1 //mole\n", +"//CALCULATIONS\n", +"Q= L21+L2\n", +"//RESULTS\n", +"printf ('differential heat of solution = %.f cal mole^-1',Q) " + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 18.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n1= 2 //moles\n", +"n2= 100 //moles\n", +"Cp1= 17.9 //cal deg^-1 mole^-1\n", +"Cp2= 21.78 //cal deg^-1 mole^-1\n", +"T1= 30 //C\n", +"T2= 25 //C\n", +"L1= 5780 //cal\n", +"L2= 5410 //cal\n", +"h= 5620 //cal mole^-1\n", +"n3= 3 //moles\n", +"Cp3= 16.55 //cal deg^-1 mole^-1\n", +"//CALCULATIONS \n", +"Cp= n2*Cp1+n1*Cp2\n", +"Q= (T2-T1)*Cp\n", +"Q1= (n1*L1+L2)\n", +"Q2= n3*h\n", +"dQ= Q2-Q1\n", +"dH= Q+dQ\n", +"HC= 300*Cp1+n3*Cp3\n", +"t= -dH/HC\n", +"Tf= T2+t\n", +"//RESULTS\n", +"printf ('Increase in temperature = %.2f deg',t) \n", +"printf ('\n Final temperature = %.1f deg',Tf) " + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/19-EMF_and_the_thermodynamics_of_ions.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/19-EMF_and_the_thermodynamics_of_ions.ipynb new file mode 100644 index 0000000..775bf3c --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/19-EMF_and_the_thermodynamics_of_ions.ipynb @@ -0,0 +1,238 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 19: EMF and the thermodynamics of ions" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"h= 23070 //cal volt^-1 g equiv^-1\n", +"n= 2 //electrons\n", +"e= 1.005 //volts\n", +"T= 25 //C\n", +"e1= 1.015 //volts\n", +"//CALCULATIONS\n", +"dH= (-n*h*(e-((273.2+T)*(e-e1)/T)))/1000\n", +"//RESULTS\n", +"printf ('Heat change in the cell reaction = %.2f kcal',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"E= -0.344 //volt\n", +"E1= -0.401 //volt\n", +"R= 0.05914 //volt\n", +"n= 4\n", +"T= 25 //C\n", +"H= -7300 //cal\n", +"//CALCULATIONS\n", +"po2= 10^(-n*(E-E1)/R)\n", +"dH= -0.5*n*H+0.5*n*(273+T)\n", +"//RESULTS\n", +"printf ('Pressure of Oxygen = %.1e atm',po2)\n", +"printf ('\n Change in Enthalpy = %.f cal',dH+4)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"H= -60.15 //kcal\n", +"e= 2.924 //volt\n", +"v= 23070 //cc\n", +"T= 25 //C\n", +"Sm= 15.2 //E.U.mole^-1\n", +"Sg= 31.2 //E.U.mole^-1\n", +"//CALCULATIONS\n", +"dS= (H*1000-(-e*v))/(273.2+T)\n", +"Sk= (dS+Sm)-0.5*Sg\n", +"//RESULTS\n", +"printf ('Stanadard entropy of pottasium ion = %.1f E.U.g ion^-1',Sk)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"dS= -4.61 //E.Ugm ion^-1\n", +"SH= 31.21 //E.U gm ion^-1\n", +"Sm= 9.95 //E.U gm ion^-1\n", +"//CALCULATIONS\n", +"Szn= dS-SH+Sm\n", +"//RESULTS\n", +"printf ('Stanadard entropy of zinc ion = %.1f E.U.g ion^-1',Szn)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n= 2\n", +"T= 25 //C\n", +"R= 4.576 \n", +"is= 9.57*10^-6\n", +"n1= 4\n", +"f= 0.509 //volts\n", +"dH= 5970 //cal\n", +"SBa= 2.3 //E.U. gm ion^-1\n", +"Sba= 31.5 //E.U. gm ion6-1\n", +"//CALCULATIONS\n", +"r= 10^(-n1*f*sqrt(n1*is))\n", +"dF= -n*R*(273.2+T)*log10(is*r)\n", +"dS= (dH-dF)/(273.2+T)\n", +"Sso= Sba-SBa+dS\n", +"//RESULTS\n", +"printf ('Stanadard entropy of sulfate ion = %.1f E.U.g ion^-1',Sso)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 19.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"f1= 20.66 //kcal\n", +"h1= 21.6 //kcal\n", +"e1= 50.34 //kcal\n", +"f2= 0 //kcal\n", +"f3= -56.70 //kcal\n", +"f4= -26.25 //kcal\n", +"h2= 0 //kcal\n", +"h3= -68.32 //kcal\n", +"h4= -49.5 //kcal\n", +"e2= 49.00 //kcal\n", +"e3= 16.75 //kcal\n", +"e4= 35 //kcal\n", +"n1= 2\n", +"n2= 1.5\n", +"n3= 1\n", +"T= 25 //C\n", +"//CALCULAIONS\n", +"dF= n1*f4-(n1*f1+f3)\n", +"dH= n1*h4-(n1*h1+h3)\n", +"dS= n1*e4-(n1*e1+e3+n2*e2)\n", +"dS1= (dH-dF)*1000/(273.2+T)\n", +"//RESULTS\n", +"printf ('free energy = %.2f kcal',dF)\n", +"printf ('\n heat of formation = %.1f kcal',dH)\n", +"printf ('\n Entropy = %.1f E.U',dS)\n", +"printf ('\n Entropy using heat of formation and free energy = %.1f E.U',dS1)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/2-Properties_of_thromodynamic_systems.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/2-Properties_of_thromodynamic_systems.ipynb new file mode 100644 index 0000000..8b1e93b --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/2-Properties_of_thromodynamic_systems.ipynb @@ -0,0 +1,211 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 2: Properties of thromodynamic systems" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.1: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 40 //C\n", +"R= 0.0820 //lit-atm deg^-1 mol^-1\n", +"v= 0.381 //lit\n", +"b= 0.043 //lit\n", +"a= 3.6 \n", +"//CALCULATIONS\n", +"P= (R*(273+T)/(v-b))-(a/v^2)\n", +"//RESULTS\n", +"printf ('Pressure = %.1f atm',P)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 0 //C\n", +"R= 0.0820 //lit-atm deg^-1 mol^-1\n", +"p= 400 //atm\n", +"//CALCULATIONS\n", +"V= R*(273+T)/p\n", +"//RESULTS\n", +"printf ('Volume of the ideal gas = %.4f lit mol^-1',V)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p= 400 //atm\n", +"T= 273 //K\n", +"R= 0.0820 //lit-atm deg^-1 mol^-1\n", +"k= 1.27\n", +"//CALCULATIONS\n", +"V= k*R*T/p\n", +"//RESULTS\n", +"printf ('Volume of the ideal gas = %.4f lit mol^-1',V)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"V= 0.381 //lit\n", +"T= 313 //K\n", +"R= 0.0820 //lit-atm deg^-1 mol^-1\n", +"pc= 72.9 //atm\n", +"//CALCULATIONS\n", +"p= R*T/V\n", +"r= p/pc\n", +"//RESULTS\n", +"printf ('Pressure of carbon dioxide gas = %.1f atm',p)\n", +"printf ('\n ratio = %.3f ',r)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"n1= 0.25 //mole\n", +"n2= 0.75 //mole\n", +"l= 0.0832 //lit\n", +"T= 50 //C\n", +"p1= 404 //atm\n", +"p2= 390 //atm\n", +"//CALCULATIONS\n", +"P= n1*p1+n2*p2\n", +"//RESULTS\n", +"printf ('Total Pressure = %.f atm',P)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 2.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"clear\n", +"//initialisation of variables\n", +"n1= 0.25 //mole\n", +"nh= 0.75 //mole\n", +"p= 400 //atm\n", +"T= 50 //C\n", +"vn= 0.083 //lit\n", +"vh= 0.081 //lit\n", +"//CALCULATIONS\n", +"V= n1*vn+vh*nh\n", +"//RESULTS\n", +"printf ('Volume of given mixture is = %.3f lit',V)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/3-The_first_law_of_thermodynamics.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/3-The_first_law_of_thermodynamics.ipynb new file mode 100644 index 0000000..b315add --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/3-The_first_law_of_thermodynamics.ipynb @@ -0,0 +1,91 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 3: The first law of thermodynamics" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p= 1.013*10^6 //dynecm^2\n", +"T= 273.16 //K\n", +"V= 773.4 //cc\n", +"n= 0.0687 //cal\n", +"//CALCCULATIONS\n", +"W= p*V/T\n", +"k= W/n\n", +"//RESULTS\n", +"printf ('Work of expansion = %.2e ergs',W)\n", +"printf ('\n 1 cal = %.2e ergs',k)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 3.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 8.314*10^7 //J/mol K\n", +"T= 298.2 //K\n", +"p1= 1 //atm\n", +"p2= 5 //atm\n", +"//CALCULATIONS\n", +"W= R*T*log(p1/p2)\n", +"//RESULTS\n", +"printf ('Work of expansion = %.2e ergs mole^-1 ',W)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/4-Heat_changes_and_heat_capacities.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/4-Heat_changes_and_heat_capacities.ipynb new file mode 100644 index 0000000..ce562bd --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/4-Heat_changes_and_heat_capacities.ipynb @@ -0,0 +1,214 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 4: Heat changes and heat capacities" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T1= 400 //K\n", +"T2= 300 //K\n", +"k1= 6.095 //cal mole^-1 K^-1\n", +"k2= 3.253*10^-3 //cal mole^-1 K^-2\n", +"k3= -1.017*10^-6 //cal mole^-1 K^-3\n", +"//CALCULATIONS\n", +"dH= k1*(T1-T2)+0.5*k2*(T1^2-T2^2)+(1/3)*k3*(T1^3-T2^3)\n", +"//RESULTS\n", +"printf ('Heat required to raise the temperature = %.f cal-mole^-1',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 10 //atm\n", +"p2= 1 //atm\n", +"T1= 25 //C\n", +"n= 2/5\n", +"//CALCULATIONS\n", +"T2= (p1/p2)^n*(273+T1)-273\n", +"//RESULTS\n", +"printf ('Final temperature = %.f C',T2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p1= 20 //atm\n", +"p2= 200 //atm\n", +"T1= 25 //C\n", +"n= 2/7\n", +"//CALCULATIONS\n", +"T2= (p1/p2)^n*(273+T1)-273\n", +"//RESULTS\n", +"printf ('Final temperature = %.f C',T2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Cv= 5*4.18*10^7 //ergs deg^-1 mole^-1\n", +"T1= 25 //C\n", +"P2= 5 //atm\n", +"P1= 1 //atm\n", +"n= 2/7\n", +"//CALCULATIONS\n", +"W= Cv*(273+T1)*(1-(P2/P1)^n)\n", +"//RESULTS\n", +"printf ('Work of expansion = %.2e ergs mole^-1',W)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Ti= 25 //C\n", +"p= 200 //atm\n", +"p= 1 //atm\n", +"dT= 31 //C \n", +"//CALCULATIONS\n", +"Tf= Ti-dT\n", +"//RESULTS\n", +"printf ('Final temperature = %.f degrees',Tf)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 4.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k1= 6.45//cal deg^-1 mol^-1\n", +"k2= 1.41*10^-3 //cal deg^-2 mol^-1\n", +"k3= -0.81*10^-7 //cal deg^-3 mol^-1\n", +"T= 300 //K\n", +"k4= -0.21*1.36 //cal deg^-3 mol^-1 atm^-1\n", +"k5= 6.87*1.5//cal deg^-3 mol^-1 atm^-2\n", +"p= 10^-3\n", +"//CALCULATIONS\n", +"Cp= k1+k2*T+k3*T^2\n", +"dCp= k2+2*k3*T\n", +"dCp1= k4*p+k5*p\n", +"//RESULTS\n", +"printf ('Cp = %.2f cal deg^-1 mole^-1',Cp)\n", +"printf ('\n Specific heat at temperature = %.2e cal deg^-2 mole^-1',dCp)\n", +"printf ('\n Specific heat at pressure = %.2e cal deg^-2 mole^-1 atm^-1',dCp1)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/5-Thermochemistry.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/5-Thermochemistry.ipynb new file mode 100644 index 0000000..f773733 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/5-Thermochemistry.ipynb @@ -0,0 +1,389 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 5: Thermochemistry" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.10: example_10.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"c1= 9.3 //cal deg^-1\n", +"c2= 6.3 //cal deg^-1\n", +"n= 2\n", +"dH= -57500 //cal\n", +"V= 3 //cc\n", +"v1= 3.5 //cc\n", +"T1= 25 //C\n", +"p1= 1 //atm\n", +"//CALCULATIONS\n", +"T2= (-dH/(c1+n*c2))+298\n", +"p2= p1*V*T2/(v1*(273+T1))\n", +"//RESULTS\n", +"printf ('Temperature final = %.f K',T2)\n", +"printf ('\n pressure final = %.1f atm',p2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.11: example_11.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Hc= 234.4 //kcal\n", +"Hdc= 300 //kcal\n", +"Hch= 436.5 //kcal\n", +"Hco= 152 //kcal\n", +"Hsco= 70 //kcal\n", +"Hoh= 110.2 //kcal\n", +"Hoo= 885 //kcal\n", +"Hb= 38 //kcal\n", +"Hc= 28 //kcal\n", +"Ha= 206 //kcal\n", +"H1co= 2128 //kcal\n", +"H1oh= 661 //kcal\n", +"H1c= 231 //kcal\n", +"//CALCULATIONS\n", +"dH= Hc+Hdc+Hch+Hco+Hsco+Hoh+Hoo+Ha+Hb+Hc-H1co-H1oh-H1c\n", +"//RESULTS\n", +"printf ('Heat of combustion = %.f kcal',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Q1= -1227 //kcal\n", +"R= 2*10^-3 //kcal\n", +"T= 25 //C\n", +"dn= -2\n", +"//CALCULATIONS\n", +"Qp= Q1+R*(273+T)*dn\n", +"//RESULTS\n", +"printf ('Heat of reaction = %.1f kcal',Qp)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"H1= -337.3 //kcal\n", +"H2= -68.3 //kcal\n", +"H3= -372.8 //kcal\n", +"//CALCULATIONS\n", +"Ht= H1+H2-H3\n", +"//RESULTS\n", +"printf ('Heat change of reaction = %.1f kcal',Ht)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"dH= -1228.2 //kcal\n", +"n1= 10\n", +"n2= 4\n", +"dH1= -94.05 //kcal\n", +"dH2= -68.32 //kcal\n", +"//CALCULATIONS\n", +"x= n1*dH1+n2*dH2-dH\n", +"//RESULTS\n", +"printf ('Heat of formation = %.1f kcal',x)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"H1= -29.6 //kcal\n", +"H2= -530.6 //kcal\n", +"H3= -94 //kcal\n", +"H4= -68.3 //kcal\n", +"//CALCULATIONS\n", +"dH1= -(H1+H2-3*H3-4*H4)\n", +"dH2= -dH1+3*H3+3*H4\n", +"//RESULTS\n", +"printf ('Heat of combustion = %.f kcal',dH1)\n", +"printf ('\n Standard heat of formation = %.1f kcal',dH2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T1= 25 //C\n", +"T2= 100 //C\n", +"dH1= -57.8 //kcal\n", +"Cp1= 8.03 //cal deg^-1\n", +"Cp2= 6.92 //cal deg^-1\n", +"Cp3= 7.04 //cal deg^-1\n", +"//RESULTS\n", +"Cp= Cp1-(Cp2+0.5*Cp3)\n", +"dH2= Cp*10^-3*(T2-T1)+dH1\n", +"//RESULTS\n", +"printf ('Stanadard heat of formation = %.2f kcal mole^-1',dH2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"a= -2.776\n", +"b= 0.947*10^-3\n", +"c= 0.295*10^-6\n", +"T1= 373 //K\n", +"T2= 298 //K\n", +"dH1= -57.8 //kcal\n", +"//CALCULATIONS\n", +"dH= a*(T1-T2)+0.5*b*(T1^2-T2^2)+0.33*c*(T1^3-T2^3)\n", +"dH2= dH1+(dH/1000)\n", +"//RESULTS\n", +"printf ('Heat obtained = %.f cal ',dH)\n", +"printf ('\n Stanadard heat of formation = %.2f kcal mole^-1',dH2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"a1= 6.189 \n", +"a2= 3.225\n", +"a3= 10.421\n", +"b1= 7.787*10^-3\n", +"b2= 0.707*10^-3\n", +"b3= -0.3*10^-3\n", +"c1= -0.728*10^-6\n", +"c2= -0.04014*10^-6\n", +"c3= 0.7212*10^-6\n", +"dH= -9.13 //kcal\n", +"//CALCULATIONS\n", +"a= -(a2+a3-a1)*10^-3\n", +"b= -0.5*(b2+b3-b1)*10^-3\n", +"c= -0.33*(c2+c3-c1)*10^-3\n", +"//RESULTS\n", +"printf ('a = %.2e kcal mole^-1',a)\n", +"printf ('\n b = %.2e kcal mole^-1',b)\n", +"printf ('\n c = %.2e kcal mole^-1',c)\n", +"printf ('\n dH = %.2f kcal mole^-1',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.8: example_8.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"dH= 31.39 //kcal\n", +"k1= 3.397*10^-3 //kcal K^-1\n", +"k2= -1.68*10^-6 //kcal K^-2\n", +"k3= -0.022*10^-9 //kcal K^-3\n", +"k4= 1.17*10^2 //kcal K\n", +"T= 25 //C\n", +"//CALCULTIONS\n", +"H= dH-(k1*(273+T)+k2*(273+T)^2+k3*(273+T)^3+k4*(273+T)^-1)\n", +"//RESULTS\n", +"printf ('Change in enthalpy= %.2f kcal',H)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 5.9: example_9.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"dH= 214470 //kcal mole^-1\n", +"a= 72.43 //calmole^-1deg^-1\n", +"b= 13.08*10^-3 //kcalmole^-1\n", +"c= -1.172*10^-6 //kcalmole^-1\n", +"//CALCULATIONS\n", +"x=poly(0,'x')\n", +"vec=roots(a*x+b*x^2+c*x^3-dH)\n", +"T= vec(3)-273\n", +"//RESULTS\n", +"printf ('Temperature = %.f C',T+15)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/6-Calculation_of_energy_and_heat_capcity.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/6-Calculation_of_energy_and_heat_capcity.ipynb new file mode 100644 index 0000000..43d10d9 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/6-Calculation_of_energy_and_heat_capcity.ipynb @@ -0,0 +1,306 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 6: Calculation of energy and heat capcity" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"m= 5.313*10^-23 //g\n", +"k= 1.38*10^-16 \n", +"T= 298 //K\n", +"R= 82.06 //ml-atm /mol K\n", +"h= 6.624*10^-27 //J /mol\n", +"//CALCULATIONS\n", +"Qt= (2*%pi*m*k*T)^1.5*R*T/h^3\n", +"//RESULTS\n", +"printf ('Qt = %.2e ',Qt)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Qe= 4.029\n", +"Qe1= -37.02\n", +"Qe2= 4.695*10^4\n", +"T= 300 //K\n", +"R= 1.98 //cal /mol K\n", +"Qe3= 4.158\n", +"Qe4= -200.8\n", +"Qe5= 2.546*10^5\n", +"T1= 500 //K\n", +"//calculations\n", +"Ce= R*((Qe2/Qe)-(Qe1/Qe)^2)/T^2\n", +"Ce1= R*((Qe5/Qe3)-(Qe4/Qe3)^2)/T1^2\n", +"//RESULTS\n", +"printf ('electronic contribution = %.3f cal deg^-1.g.atom^-1',Ce)\n", +"printf ('\n electronic contribution = %.3f cal deg^-1.g.atom^-1',Ce1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"I= 0.459*10^-40 //g cm^2\n", +"k= 1.38*10^-16\n", +"T= 300 //K\n", +"h= 6.624*10^-27 //J/mol\n", +"I1= 245*10^-40 // g cm^2\n", +"//CALCULATIONS\n", +"Qr= I*k*T*8*%pi^2*0.5/h^2\n", +"Qr1= I1*k*T*8*%pi^2/h^2\n", +"//RESULTS\n", +"printf ('Rotational Partition = %.2f ',Qr)\n", +"printf ('\n Rotational Partition = %.f ',Qr1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"h= 1.439\n", +"T= 300 //K\n", +"w= 4405 //cm^-1\n", +"w1= 565 //cm^-1\n", +"//CALCULATIONS\n", +"Qv1= (1-%e^(-h*w/T))^-1\n", +"Qv2= (1-%e^(-h*w1/T))^-1\n", +"//RESULTS\n", +"printf ('Vibrational Partition = %.3f ',Qv1)\n", +"printf ('\n Vibrational Partition = %.3f ',Qv2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"h= 1.439\n", +"T= 300 //K\n", +"w= 565 //cm^-1\n", +"R= 1.98 //cal /mol K\n", +"n= 0.56\n", +"//CALCULATIONS\n", +"Qr= h*w/T\n", +"Cv= n*R\n", +"//RESULTS\n", +"printf ('Vibrational Partition = %.2f ',Qr)\n", +"printf ('\n Cv = %.2f cal deg^-1 mole^-1',Cv)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.986 //cal deg^-1 mole^-1\n", +"cv1= 0.392 //cal deg^-1 mole^-1\n", +"cv2= 0.004 //cal deg^-1 mole^-1\n", +"cv3= 0.003 //cal deg^-1 mole^-1\n", +"cv4= 1.265 //cal deg^-1 mole^-1\n", +"cv5= 0.247 //cal deg^-1 mole^-1\n", +"cv6= 0.225 //cal deg^-1 mole^-1\n", +"//CALCULATIONS\n", +"Cv = 3*R+cv1+cv2+cv3\n", +"Cv1= 3*R+cv4+cv5+cv6\n", +"//RESULTS\n", +"printf ('Total heat capacity = %.2f cal deg^-1 mole^-1',Cv)\n", +"printf ('\n Total heat capacity = %.2f cal deg^-1 mole^-1',Cv1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.98 //cal/mol K\n", +"//CALCULATIONS\n", +"Cv= 2.856*R\n", +"//RESULTS\n", +"printf ('Cv = %.2f cal deg^-1 g.atom^-1',Cv)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.8: example_8.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.98 //cal/mol K\n", +"n= 3\n", +"//CALCULATIONS\n", +"Cv= n*R*0.8673\n", +"//RESULTS\n", +"printf ('Cv = %.2f cal deg^-1 g.atom^-1',Cv)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 6.9: example_9.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.98 //cal/mol K\n", +"n= 3\n", +"//CALCULATIONS\n", +"Cv= n*R*0.904\n", +"//RESULTS\n", +"printf ('Cv = %.2f cal deg^-1.g.atom^-1',Cv)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/7-The_second_law_of_thermodynamics.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/7-The_second_law_of_thermodynamics.ipynb new file mode 100644 index 0000000..a5a7ca0 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/7-The_second_law_of_thermodynamics.ipynb @@ -0,0 +1,120 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 7: The second law of thermodynamics" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 7.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T1= 308 //K\n", +"T2= 373 //K\n", +"T3= 538 //K\n", +"//CALCULATIONS\n", +"e1= (T2-T1)/T2\n", +"e2= (T3-T1)/T3\n", +"//RESULTS\n", +"printf ('Efficiency = %.3f ',e1)\n", +"printf ('\n Efficiency = %.3f ',e2)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 7.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 25 //C\n", +"T1= 0 //C\n", +"h= 79.8 //cal g^-1\n", +"j= 4.18*10^7 //ergs\n", +"//CALCULATIONS\n", +"Wc= (T-T1)*h/(273+T1)\n", +"W= (T-T1)*h*j/(273+T1)\n", +"//RESULTS\n", +"printf ('Work required = %.1f cal',Wc)\n", +"printf ('\n Work required = %.2e ergs',W)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 7.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"R= 1.98 //cal//mol K\n", +"x= 0.75\n", +"n= 9\n", +"//CALCULATIONS\n", +"dS= -R*(n*(x/n)*log(x/n)+(1-x)*log(1-x))\n", +"//RESULTS\n", +"printf ('Entropy = %.2f cal deg^-1 mole^-1',dS)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/8-Entropy_relationships_and_applications.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/8-Entropy_relationships_and_applications.ipynb new file mode 100644 index 0000000..a72eaf3 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/8-Entropy_relationships_and_applications.ipynb @@ -0,0 +1,310 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 8: Entropy relationships and applications" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"k1= 6.2\n", +"k2= 1.33*10^-3\n", +"k3= 6.78*10^4\n", +"T1= 800 //C\n", +"T2= 300 //C\n", +"//CALCULATIONS\n", +"dS= k1*log(T1/T2)+k2*(T1-T2)-0.5*k3*(T1^-2-T2^-2)\n", +"//RESULTS\n", +"printf ('Entropy increase = %.2f cal deg^-1 g atom^-1',dS)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 77.32 //K\n", +"p= 1 //atm\n", +"Tc = 126 //K\n", +"Pc= 33.5 //atm\n", +"Mo= 32 //gms\n", +"mo= 27 //gms\n", +"R= 1.98 //cl/mol K\n", +"//CALCULATIONS\n", +"dS= (mo)*R*Tc^3/(Mo*Pc*T^3)\n", +"//RESULTS\n", +"printf ('Entropy increase = %.3f cal deg^-1',dS)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"R= 1.987 //cal deg^-1 mole^-1\n", +"T= 25 //C\n", +"Pc= 49.7 //atm\n", +"m= 128 //gms\n", +"pc= 49.7 //atm\n", +"Tc= 154.3 //K\n", +"m1= 9 //gms\n", +"m2= 18\n", +"//CALCULATIONS\n", +"dH= (m1*R*Tc/(m*pc))*(1-m2*(Tc/(273.15+T))^2)*-1\n", +"//RESULTS\n", +"printf ('Enthalpy = %.2f cal mole^-1',dH)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"a= 1.39 //lit^2\n", +"p= 200 //atm\n", +"R= 0.082 //lit-atm /mol K\n", +"T= 298 //K\n", +"//CALCULATIONS\n", +"dC= (1+(2*a*p/(R*T)^2))\n", +"//RESULTS\n", +"printf ('Cp-Cv = %.2f *R lit-atm mole^-1 K^-1',dC)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.5: example_5.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"P= 200 //atm\n", +"Tc= 126 //k\n", +"T= 25 //C\n", +"Pc= 33.5 //atm\n", +"M= 27 //gms\n", +"m= 16 //gms\n", +"//CALCULATIONS\n", +"dC= (1+(M*Tc^3*P/(m*Pc*(273.2+T)^3)))\n", +"//RESULTS\n", +"printf ('Cp-Cv = %.2f *R cal mole^-1 K^-1',dC)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.6: example_6.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 25 //C\n", +"b= 0.785*10^-6 //atm^-1\n", +"a= 49.2*10^-6 //deg^-1\n", +"d= 8.93 //gm/cc\n", +"aw= 63.57 //gms\n", +"//CALCULATIONS\n", +"dC= a^2*(273.2+T)*aw*0.0242/(b*d)\n", +"//RESULTS\n", +"printf ('Cp-Cv = %.3f cal deg^-1g atom^-1',dC)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.7: example_7.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"p= 100 //atm\n", +"T= 25 //C\n", +"a= 1.38\n", +"b= 3.92*10^-2 //lit atm\n", +"R= 0.082 //lit-atm mole^-1 K^-1\n", +"Tc= 126 //K\n", +"Pc= 33.5 //atm\n", +"M= 81 //gms\n", +"m= 32 //gms\n", +"//CALCULATIONS\n", +"dC= a*2*p/(R*(273+T)^2)\n", +"dC1= M*R*Tc^3*p/(m*Pc*(273+T)^3)\n", +"//RESULTS\n", +"printf ('Cp-Cp* = %.3f lit atm deg^-1 mole^-1',dC)\n", +"printf ('\n Cp-Cp* = %.3f lit atm deg^-1 mole^-1',dC1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.8: example_8.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Cp= 8.21*0.0413 //lit-atm deg^-1 mole^-1\n", +"V= 8.64*28*10^-3 //lit\n", +"r= 1.199\n", +"//CALCULATIONS\n", +"u= V*(r-1)/Cp\n", +"//RESULTS\n", +"printf ('Joule-thomson coefficient = %.3f deg atm^-1',u)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 8.9: example_9.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Cp= 8.21*0.0413 //lit-atm\n", +"R= 0.0821 //lit-atm deg^-1 mole^-1\n", +"p= 100 //atm\n", +"T= 20 //C\n", +"a= 1.39 \n", +"b= 3.92*10^-2 //lit-atm^2 mole\n", +"//CALCULATIONS\n", +"u= (1/Cp)*((2*a/(R*(273+T)))-b-(3*a*b*p/(R^2*(273+T)^2)))\n", +"//RESULTS\n", +"printf ('Joule-thomson coefficient = %.3f deg atm^-1',u)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} diff --git a/Thermodynamics_for_Chemists_by_S_Glasstone/9-Entropy_determination_and_Significance.ipynb b/Thermodynamics_for_Chemists_by_S_Glasstone/9-Entropy_determination_and_Significance.ipynb new file mode 100644 index 0000000..4c0aa08 --- /dev/null +++ b/Thermodynamics_for_Chemists_by_S_Glasstone/9-Entropy_determination_and_Significance.ipynb @@ -0,0 +1,148 @@ +{ +"cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Chapter 9: Entropy determination and Significance" + ] + }, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.1: example_1.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"w= 35.46 //gms\n", +"T= 298.2 //K\n", +"Qc= 4.03 \n", +"//CALCULATIONS\n", +"S= 4.576*(1.5*log10(w)+2.5*log10(T)+log10(Qc)-0.5055)\n", +"//RESULTS\n", +"printf ('Standard entropy = %.1f cal deg^-1 g atom^-1',S)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.2: example_2.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"M= 28 //gms\n", +"T= 25 //C\n", +"I= 13.9*10^-40 // gcm^2\n", +"s= 2\n", +"//CALCULATIONS\n", +"S= 4.576*(1.5*log10(M)+2.5*log10(273.2+T)-0.5055)\n", +"S1= 4.576*(log10(I)+log10(273.2+T)-log10(s)+38.82)\n", +"//RESULTS\n", +"printf ('Standard entropy = %.1f E.U.mole^-1',S)\n", +"printf ('\n Standard entropy = %.1f E.U.mole^-1',S1)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.3: example_3.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"T= 25 //C\n", +"I= 4.33*10^-40 // gcm^2\n", +"I1= 2.78*10^-40 //g cm^2\n", +"s= 3\n", +"//CALCULATIONS\n", +"S= 4.576*(0.5*log10(I1^2*I)+1.5*log10(273.2+T)-log10(s)+58.51)\n", +"//RESULTS\n", +"printf ('Standard entropy = %.1f cal deg^-1 mole^-1',S)" + ] + } +, +{ + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Example 9.4: example_4.sce" + ] + }, + { +"cell_type": "code", + "execution_count": null, + "metadata": { + "collapsed": true + }, + "outputs": [], +"source": [ +"clc\n", +"//initialisation of variables\n", +"clear\n", +"Sco= 47.3 //cal deg^-1 \n", +"Sh2= 31.21 //cal deg^-1\n", +"Sc= 1.36 //cal deg^-1\n", +"Sho = 16.75 //cal deg^-1\n", +"//CALCULATIONS\n", +"S= Sco+Sh2-Sc-Sho\n", +"//RESULTS\n", +"printf ('Standard entropy = %.2f cal deg^-1 mole^-1',S)" + ] + } +], +"metadata": { + "kernelspec": { + "display_name": "Scilab", + "language": "scilab", + "name": "scilab" + }, + "language_info": { + "file_extension": ".sce", + "help_links": [ + { + "text": "MetaKernel Magics", + "url": "https://github.com/calysto/metakernel/blob/master/metakernel/magics/README.md" + } + ], + "mimetype": "text/x-octave", + "name": "scilab", + "version": "0.7.1" + } + }, + "nbformat": 4, + "nbformat_minor": 0 +} |