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dealmeidavf committed Dec 11, 2020
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4 changes: 2 additions & 2 deletions notebooks/13-nonlinear-root-finding.ipynb
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"metadata": {},
"source": [
"## [Introduction](#toc)<a id=\"intro\"></a>\n",
"Newton's method for computing roots of a single non-linear equation, $f(x)=0$, arising from chemical reaction equilibrium is described in the course notes OneNote [ChEn-3170-nonlinalg-a](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/EsURG6azFKdHg13aiJdg0X8Bwn1JHj9ziyIz3bXrr2CjRw?e=P2EkeB). The reaction\n",
"Newton's method for computing roots of a single non-linear equation, $f(x)=0$, arising from chemical reaction equilibrium is described in the course notes OneNote [ChEn-3170-nonlinalg-a](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/Ell6JUqZ9o1Ist_e0GGKkHoB5zY7HRgL05qXcaS9qUfo_Q?e=JnPN9C). The reaction\n",
"\n",
"\\begin{equation*}\n",
"\\text{A} + \\text{B} \\overset{K_x}{\\longleftrightarrow} \\text{C} ,\n",
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"name": "python",
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"version": "3.8.3"
"version": "3.8.5"
},
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4 changes: 2 additions & 2 deletions notebooks/14-single-reaction-equilibrium.ipynb
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"source": [
"## [Introduction](#toc)<a id=\"intro\"></a>\n",
"In the previous [notebook](https://nbviewer.jupyter.org/github/dpploy/chen-3170/blob/master/notebooks/13-nonlinear-root-finding.ipynb), an algorithm was developed for finding the equilibrium molar fractions of a single reversible chemical reaction with a fixed stoichiometry and fixed number of chemical species. Here we expand\n",
"Newton's method for computing roots of a single non-linear equation, $\\Kcal\\bigl(\\xvec(\\widehat{\\varepsilon})\\bigr)=0$, for variable stoichiometry and variable number of chemical species, described in the course notes OneNote [ChEn-3170-nonlinalg-b](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/EtF_emW_K75PmQo9mXGn-nsBi9kOwJHlJBsrbk9b-K2ogA?e=7VGodd).\n",
"Newton's method for computing roots of a single non-linear equation, $\\Kcal\\bigl(\\xvec(\\widehat{\\varepsilon})\\bigr)=0$, for variable stoichiometry and variable number of chemical species, described in the course notes OneNote [ChEn-3170-nonlinalg-b](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/EtF_emW_K75PmQo9mXGn-nsBi9kOwJHlJBsrbk9b-K2ogA?e=5kqVyk).\n",
"\n",
"The task at hand is to compute the equilibrium molar fraction of species undergoing a reversible reaction for an arbitrary number of species and an arbitrary stoichiometry, say\n",
"\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.9"
"version": "3.8.5"
},
"latex_envs": {
"LaTeX_envs_menu_present": true,
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4 changes: 2 additions & 2 deletions notebooks/15-multiple-reactions-equilibrium.ipynb
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"source": [
"## [Introduction](#toc)<a id=\"intro\"></a>\n",
"In the previous [notebook](https://nbviewer.jupyter.org/github/dpploy/chen-3170/blob/master/notebooks/14-single-reaction-equilibrium.ipynb), a general method for finding equilibrium molar fractions for a single chemical reaction in equilibrium was developed (any number of chemical species and any stoichiometry). Here we further extend the method for a reaction mechanism involving **multiple reactions**.\n",
"Newton's method for computing roots of multiple non-linear equations, $\\Kcal\\bigl(\\xvec(\\widehat{\\epsvec})\\bigr)=0$, is described in the course notes OneNote [ChEn-3170-nonlinalg-c](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/Eg8gJsXrEclGroMucDfkv3UBYcgq-eYGMtTewKDetaePLg?e=jNonCN).\n",
"Newton's method for computing roots of multiple non-linear equations, $\\Kcal\\bigl(\\xvec(\\widehat{\\epsvec})\\bigr)=0$, is described in the course notes OneNote [ChEn-3170-nonlinalg-c](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/Eg8gJsXrEclGroMucDfkv3UBYcgq-eYGMtTewKDetaePLg?e=nJVhaH).\n",
"\n",
"In the case of multiple reactions we write the equilibrium functions (vector-valued function) as a vector with components\n",
"\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.9"
"version": "3.8.5"
},
"latex_envs": {
"LaTeX_envs_menu_present": true,
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4 changes: 2 additions & 2 deletions notebooks/15a-multiple-reactions-equilibrium.ipynb
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"source": [
"## [Introduction](#toc)<a id=\"intro\"></a>\n",
"In the previous [notebook](https://nbviewer.jupyter.org/github/dpploy/chen-3170/blob/master/notebooks/15-multiple-reactions-equilibrium.ipynb), a general method for finding equilibrium molar fractions for multiple chemical reactions at equilibrium was developed (any number of chemical species and any stoichiometry). Here we further explore method for a **rank-deficient** reaction mechanism involving **multiple reactions**.\n",
"Newton's method for computing roots of multiple non-linear equations, $\\Kcal\\bigl(\\xvec(\\widehat{\\epsvec})\\bigr)=0$, is described in the course notes OneNote [ChEn-3170-nonlinalg-c](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/Ei3KyNR90cVBnzOTgU04-1YBlN77e7yejChMxKWtZD3jtg?e=3N7UQF).\n",
"Newton's method for computing roots of multiple non-linear equations, $\\Kcal\\bigl(\\xvec(\\widehat{\\epsvec})\\bigr)=0$, is described in the course notes OneNote [ChEn-3170-nonlinalg-c](https://studentuml-my.sharepoint.com/:o:/g/personal/valmor_dealmeida_uml_edu/Eg8gJsXrEclGroMucDfkv3UBYcgq-eYGMtTewKDetaePLg?e=nJVhaH).\n",
"\n",
"In the case of multiple reactions we write the equilibrium functions (vector-valued function) as a vector with components\n",
"\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.8.3"
"version": "3.8.5"
},
"latex_envs": {
"LaTeX_envs_menu_present": true,
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